A0A096MFG2_POEFO Loading...

Nicotinate phosphoribosyltransferase

Catalyzes the first step in the biosynthesis of NAD from nicotinic acid, the ATP-dependent synthesis of beta-nicotinate D-ribonucleotide from nicotinate and 5-phospho-D-ribose 1-phosphate. Helps prevent cellular oxidative stress via its role in NAD biosynthesis.

AlphaFold DB , UniProt , Accession A0A096MFG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 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
1M35Very low52.1Low249 Ų24999.5 Ų99.5100%1.22764%0.642SS**  0118.70-77.5-172.6-95.600107.3
2A30.3Very low54.4Low104 Ų10494.2 Ų94.286%0.8660%0.603SS**PPolyproline II helixtrans-83.5131.8174.200000108.7
3A30.3Very low56.2Low89 Ų8990.2 Ų90.274%0.73657%0.572SS**PPolyproline II helixtrans-66.8144.3174.300000110.1S5A3-S5 PolarHBondContact O-N 3.34Å
4P42.3Very low58Low122 Ų12295.6 Ų95.679%0.79258%0.576SS**PPolyproline II helixtrans-66.9121.6175.6-7.322000109.1
5S44.2Very low59.8Low74 Ų7490.2 Ų90.252%0.51755%0.545SS..PPolyproline II helixtrans-70.6151.5174.573.80000111.2A3 D7 A8A3-S5 PolarHBondContact O-N 3.34Å; S5-D7 PolarHBondContact O-N 3.31Å; S5-A8 PolarHBondContact O-N 3.4Å
6T46.5Very low61.3Low160 Ų16084.7 Ų84.798%0.98251%0.511SS*.THydrogen-bonded Turntrans-61.5-3.5177.436.70000115
7D59.9Low62.6Low100 Ų10087.6 Ų87.654%0.53551%0.511SS..THydrogen-bonded Turntrans-102.210.9178.4-160.918.7000113.8S5 C9 G10 L11S5-D7 PolarHBondContact O-N 3.31Å; D7-C9 VanDerWaalsContact C-N 3.28Å; D7-C9 PolarHBondContact O-N 3.48Å; D7-G10 PolarHBondContact O-N 2.59Å; D7-L11 WeakPolarHBondContact O-CG 3.19Å; D7-L11 PolarHBondContact O-N 3.27Å
8A64.9Low63.9Low38 Ų3889.9 Ų89.931%0.31452%0.516SS..Hα-helixtrans-60.8-33.2-176.100000113.9S5 M12S5-A8 PolarHBondContact O-N 3.4Å; A8-M12 WeakPolarHBondContact O-CB 3.24Å; A8-M12 VanDerWaalsContact O-CG 3.32Å; A8-M12 WeakPolarHBondContact O-CG 3.47Å; A8-M12 PolarHBondContact O-N 3.28Å
9C66.1Low65.2Low66 Ų6686.7 Ų86.745%0.44650%0.495SS..Hα-helixtrans-70.1-44.7-179.5-1700000112.2D7 L11 M12 E13D7-C9 VanDerWaalsContact C-N 3.28Å; D7-C9 PolarHBondContact O-N 3.48Å; C9-L11 VanDerWaalsContact C-N 3.34Å; C9-L11 PolarHBondContact O-N 3.13Å; C9-M12 PolarHBondContact O-N 2.67Å; C9-E13 PolarHBondContact O-N 2.74Å
10G72.9Confident66.5Low34 Ų3482.9 Ų82.935%0.35147%0.473SS..Hα-helixtrans-65.1-38.3177.400000112.5D7 E13 R14D7-G10 PolarHBondContact O-N 2.59Å; G10-E13 PolarHBondContact O-N 2.85Å; G10-R14 WeakPolarHBondContact O-CB 3.25Å; G10-R14 PolarHBondContact O-N 3.05Å
11L80.6Confident67.7Low59 Ų5981.3 Ų81.331%0.30947%0.466SS..Hα-helixtrans-64-41.6173.2-70.7170.3000112.4D7 C9 S15 L209D7-L11 WeakPolarHBondContact O-CG 3.19Å; D7-L11 PolarHBondContact O-N 3.27Å; C9-L11 VanDerWaalsContact C-N 3.34Å; C9-L11 PolarHBondContact O-N 3.13Å; L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 2.62Å; L11-L209 HydrophobicContact CB-CD2 4.46Å
12M79.3Confident70.5Confident35 Ų3570.2 Ų70.217%0.17241%0.413CS..Hα-helixtrans-63.3-45.5175.3-81178.4158.600112.1A8 C9 R14 S15 V16 L72 F210A8-M12 WeakPolarHBondContact O-CB 3.24Å; A8-M12 VanDerWaalsContact O-CG 3.32Å; A8-M12 WeakPolarHBondContact O-CG 3.47Å; A8-M12 PolarHBondContact O-N 3.28Å; C9-M12 PolarHBondContact O-N 2.67Å; M12-R14 PolarHBondContact O-N 3.14Å; M12-S15 PolarHBondContact O-N 2.87Å; M12-V16 WeakPolarHBondContact O-CG2 3.36Å; M12-V16 PolarHBondContact O-N 3.27Å; M12-L72 HydrophobicContact CB-CD1 3.96Å; M12-F210 HydrophobicContact CE-CD1 3.4Å; M12-F210 HydrophobicContact CE-CE1 3.67Å
13E78.5Confident73.6Confident43 Ų4367.7 Ų67.720%0.20138%0.384CS..Hα-helixtrans-58.1-48.9177-87.2178.5-173.300112.2C9 G10 S15 V16 R17 L72 R75C9-E13 PolarHBondContact O-N 2.74Å; G10-E13 PolarHBondContact O-N 2.85Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 3.46Å; E13-V16 PolarHBondContact O-N 3.03Å; E13-R17 WeakPolarHBondContact O-CB 3.17Å; E13-R17 PolarHBondContact O-N 2.98Å; E13-L72 HydrophobicContact CG-CB 4.47Å; E13-L72 HydrophobicContact CG-CD1 4.42Å; E13-L72 HydrophobicContact CG-CD2 3.45Å; E13-L72 VanDerWaalsContact CG-CD2 3.45Å; E13-L72 HydrophobicContact CG-CG 4.3Å; E13-R75 VanDerWaalsContact OE1-CD 3.31Å; E13-R75 WeakPolarHBondContact OE1-CD 3.44Å; E13-R75 IonicContact OE1-CZ 2.62Å; E13-R75 IonicContact OE1-NE 3.34Å; E13-R75 IonicContact OE1-NH1 3.91Å; E13-R75 PolarHBondContact OE1-NH1 2.88Å; E13-R75 IonicContact OE2-NH1 2.74Å
14R81.4Confident76.7Confident165 Ų16566.7 Ų66.762%0.62337%0.366SS*.Hα-helixtrans-60-45.2176.6-175.1177.3178169.23.6111.4G10 M12 V16 R17 E18G10-R14 WeakPolarHBondContact O-CB 3.25Å; G10-R14 PolarHBondContact O-N 3.05Å; M12-R14 PolarHBondContact O-N 3.14Å; R14-V16 PolarHBondContact O-N 2.91Å; R14-R17 PolarHBondContact O-N 2.91Å; R14-E18 WeakPolarHBondContact CG-OE1 3.33Å; R14-E18 IonicContact CZ-OE1 2.82Å; R14-E18 IonicContact NE-OE1 2.76Å; R14-E18 PolarHBondContact NE-OE1 2.8Å; R14-E18 IonicContact NH2-OE1 2.87Å; R14-E18 WeakPolarHBondContact O-CG 3.4Å; R14-E18 PolarHBondContact O-N 3.16Å
15S84.9Confident79.3Confident15 Ų1562 Ų6211%0.10534%0.336CS..Hα-helixtrans-61.5-41.5177.4177.80000112.3L11 M12 E13 R19L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 2.62Å; M12-S15 PolarHBondContact O-N 2.87Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 3.46Å; S15-R19 WeakPolarHBondContact O-CB 3.16Å; S15-R19 WeakPolarHBondContact O-CG 3.48Å; S15-R19 PolarHBondContact O-N 3.44Å; S15-R19 PolarHBondContact O-NE 3.37Å; S15-R19 PolarHBondContact OG-NE 2.88Å; S15-R19 VanDerWaalsContact OG-NE 3.16Å
16V84.6Confident81.9Confident2 Ų261.7 Ų61.71%0.01233%0.328CS..Hα-helixtrans-66.8-43.9176.7171.80000110.7M12 E13 R14 E18 R19 V20 D69 L72 F73M12-V16 WeakPolarHBondContact O-CG2 3.36Å; M12-V16 PolarHBondContact O-N 3.27Å; E13-V16 PolarHBondContact O-N 3.03Å; R14-V16 PolarHBondContact O-N 2.91Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.15Å; V16-R19 PolarHBondContact O-N 2.68Å; V16-R19 VanDerWaalsContact O-N 3.14Å; V16-V20 PolarHBondContact O-N 2.73Å; V16-D69 HydrophobicContact CG2-CB 4.44Å; V16-L72 HydrophobicContact CB-CB 4.12Å; V16-L72 HydrophobicContact CG1-CB 4.11Å; V16-L72 HydrophobicContact CG2-CB 4.11Å; V16-L72 HydrophobicContact CG2-CD1 3.89Å; V16-F73 HydrophobicContact CG1-CB 4.13Å
17R82.3Confident84.3Confident135 Ų13558.3 Ų58.351%0.50930%0.304SS..Hα-helixtrans-60.5-40.2-179.6-174.3179.9178.8-173.4-0.5113E13 R14 R19E13-R17 WeakPolarHBondContact O-CB 3.17Å; E13-R17 PolarHBondContact O-N 2.98Å; R14-R17 PolarHBondContact O-N 2.91Å; R17-R19 VanDerWaalsContact C-N 3.32Å
18E86.3Confident86.1Confident128 Ų12859 Ų5960%0.59830%0.299SS*.Hα-helixtrans-69.2-31.5177.9-72.4172.6-174.800112.1R14 V16R14-E18 WeakPolarHBondContact CG-OE1 3.33Å; R14-E18 IonicContact CZ-OE1 2.82Å; R14-E18 IonicContact NE-OE1 2.76Å; R14-E18 PolarHBondContact NE-OE1 2.8Å; R14-E18 IonicContact NH2-OE1 2.87Å; R14-E18 WeakPolarHBondContact O-CG 3.4Å; R14-E18 PolarHBondContact O-N 3.16Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.15Å
19R88.1Confident87.7Confident29 Ų2957.1 Ų57.111%0.10928%0.284CS..Hα-helixtrans-87.1-32.7-176.5-68.1-171.3-64.1133.51.7113.9S15 V16 R17 D184 T188S15-R19 WeakPolarHBondContact O-CB 3.16Å; S15-R19 WeakPolarHBondContact O-CG 3.48Å; S15-R19 PolarHBondContact O-N 3.44Å; S15-R19 PolarHBondContact O-NE 3.37Å; S15-R19 PolarHBondContact OG-NE 2.88Å; S15-R19 VanDerWaalsContact OG-NE 3.16Å; V16-R19 PolarHBondContact O-N 2.68Å; V16-R19 VanDerWaalsContact O-N 3.14Å; R17-R19 VanDerWaalsContact C-N 3.32Å; R19-D184 WeakPolarHBondContact CA-OD2 3.32Å; R19-D184 HydrophobicContact CB-CB 4.46Å; R19-D184 WeakPolarHBondContact CB-OD2 3.45Å; R19-D184 WeakPolarHBondContact CD-OD1 3.39Å; R19-D184 HydrophobicContact CG-CB 4.32Å; R19-D184 WeakPolarHBondContact CG-OD1 3.5Å; R19-D184 WeakPolarHBondContact CG-OD2 3.45Å; R19-T188 PolarHBondContact NH1-OG1 2.73Å
20V91.2Very high89.2Confident10 Ų1054.3 Ų54.36%0.06126%0.264CS..SBendtrans-128.775.5-176.1-1720000109.2V16 L24 F73 L148V16-V20 PolarHBondContact O-N 2.73Å; V20-L24 HydrophobicContact CB-CD2 4.47Å; V20-L24 HydrophobicContact CG1-CD2 3.88Å; V20-L24 HydrophobicContact CG2-CD2 4.47Å; V20-F73 HydrophobicContact CB-CD2 4.26Å; V20-F73 HydrophobicContact CG1-CD2 3.72Å; V20-F73 HydrophobicContact CG1-CE2 3.89Å; V20-F73 HydrophobicContact CG1-CG 4.32Å; V20-F73 WeakPolarHBondContact O-CD2 3.42Å; V20-F73 WeakPolarHBondContact O-CE2 3.36Å; V20-L148 HydrophobicContact CG1-CD1 4.29Å; V20-L148 HydrophobicContact CG1-CG 4.48Å; V20-L148 HydrophobicContact CG2-CD2 3.77Å; V20-L148 HydrophobicContact CG2-CG 4.32Å
21P93.1Very high90.4Very high51 Ų5155.3 Ų55.333%0.33126%0.264SS..  trans-71158175.330.4-35.7000111.1L23 L24P21-L23 PolarHBondContact O-N 3.49Å; P21-L23 VanDerWaalsContact O-N 3.1Å; P21-L24 HydrophobicContact CG-CB 4.31Å; P21-L24 VanDerWaalsContact O-CB 3.23Å; P21-L24 WeakPolarHBondContact O-CB 3.42Å; P21-L24 PolarHBondContact O-N 3.07Å
22P93.3Very high91.2Very high16 Ų1655.4 Ų55.410%0.10426%0.263CS..THydrogen-bonded Turntrans-57.9-22.9174.9-30.439.7000115.3L24 F77 R78 L79P22-L24 VanDerWaalsContact C-N 3.26Å; P22-F77 HydrophobicContact CB-CD2 4.03Å; P22-F77 HydrophobicContact CB-CE2 3.63Å; P22-F77 HydrophobicContact CB-CZ 4.08Å; P22-F77 HydrophobicContact CG-CD2 3.96Å; P22-F77 HydrophobicContact CG-CE2 4.09Å; P22-F77 HydrophobicContact CG-CG 4.49Å; P22-R78 WeakPolarHBondContact CG-O 3.43Å; P22-L79 HydrophobicContact CB-CD2 3.82Å; P22-L79 HydrophobicContact CB-CG 4.34Å
23L95.9Very high92.1Very high50 Ų5053.8 Ų53.826%0.26226%0.255SS..THydrogen-bonded Turntrans-78.8-2.8172.7-68.6-173.2000113.9P21 T25 F30 L79 D83 F86 L87P21-L23 PolarHBondContact O-N 3.49Å; P21-L23 VanDerWaalsContact O-N 3.1Å; L23-T25 PolarHBondContact O-N 2.96Å; L23-F30 HydrophobicContact CD2-CE2 4.03Å; L23-F30 HydrophobicContact CD2-CZ 4Å; L23-L79 HydrophobicContact CD2-CD2 4.07Å; L23-D83 HydrophobicContact CD1-CB 3.85Å; L23-D83 WeakPolarHBondContact CD1-OD1 3.26Å; L23-D83 HydrophobicContact CD2-CB 4.19Å; L23-D83 HydrophobicContact CG-CB 3.98Å; L23-F86 HydrophobicContact CD1-CD1 4.13Å; L23-L87 HydrophobicContact CD2-CD1 4.09Å; L23-L87 HydrophobicContact CD2-CD2 4.13Å; L23-L87 HydrophobicContact CD2-CG 4.12Å
24L94.8Very high93.1Very high68 Ų6853.4 Ų53.436%0.35625%0.252SS..  trans-73.469.4168.8-171.272.9000109.7V20 P21 P22 S144V20-L24 HydrophobicContact CB-CD2 4.47Å; V20-L24 HydrophobicContact CG1-CD2 3.88Å; V20-L24 HydrophobicContact CG2-CD2 4.47Å; P21-L24 HydrophobicContact CG-CB 4.31Å; P21-L24 VanDerWaalsContact O-CB 3.23Å; P21-L24 WeakPolarHBondContact O-CB 3.42Å; P21-L24 PolarHBondContact O-N 3.07Å; P22-L24 VanDerWaalsContact C-N 3.26Å; L24-S144 PolarHBondContact O-OG 3.17Å
25T97Very high93.9Very high25 Ų2548.2 Ų48.215%0.15324%0.244CC..SBendtrans-159.6169.2-175.8-160.60000109.1L23 Q29 F30 T143L23-T25 PolarHBondContact O-N 2.96Å; T25-Q29 WeakPolarHBondContact OG1-CG 3.48Å; T25-F30 HydrophobicContact CG2-CD2 4.06Å; T25-F30 HydrophobicContact CG2-CE2 3.32Å; T25-F30 HydrophobicContact CG2-CZ 3.94Å; T25-T143 PolarHBondContact OG1-OG1 3.3Å
26D97.8Very high94.5Very high67 Ų6749.9 Ų49.936%0.35825%0.249SC..  trans-90.7151.2-179.4-59.2-72.3000111.6Y28 Q29 T143D26-Y28 HydrophobicContact CB-CD1 3.37Å; D26-Y28 HydrophobicContact CB-CE1 3.04Å; D26-Y28 HydrophobicContact CB-CE2 4.33Å; D26-Y28 HydrophobicContact CB-CG 4.12Å; D26-Y28 PolarHBondContact O-N 3.13Å; D26-Y28 VanDerWaalsContact O-N 3.11Å; D26-Y28 VanDerWaalsContact OD2-CE1 3.32Å; D26-Y28 WeakPolarHBondContact OD2-CE1 3.46Å; D26-Y28 VanDerWaalsContact OD2-CZ 3.25Å; D26-Y28 PolarHBondContact OD2-OH 2.76Å; D26-Q29 HydrophobicContact CB-CG 4.3Å; D26-Q29 VanDerWaalsContact O-CB 3.27Å; D26-Q29 WeakPolarHBondContact O-CB 3.28Å; D26-Q29 PolarHBondContact O-N 3.1Å; D26-T143 PolarHBondContact OD2-OG1 2.98Å
27L97.7Very high95.2Very high89 Ų8952.3 Ų52.347%0.46626%0.258SS..Hα-helixtrans-54.9-35.1177.2-179.762.3000112.5Q29 F30 T31 V90 L91L27-Q29 PolarHBondContact O-N 3.48Å; L27-F30 PolarHBondContact O-N 2.82Å; L27-F30 VanDerWaalsContact O-N 3.12Å; L27-T31 HydrophobicContact CG-CG2 4.45Å; L27-T31 PolarHBondContact O-N 3.4Å; L27-T31 VanDerWaalsContact O-N 3.13Å; L27-V90 HydrophobicContact CD1-CB 4.48Å; L27-V90 HydrophobicContact CD1-CG2 3.87Å; L27-L91 HydrophobicContact CD1-CD2 4.02Å
28Y97.3Very high95.9Very high113 Ų11352.9 Ų52.944%0.44326%0.26SS..Hα-helixtrans-64.9-21.8-179.969-103.3000112.8D26 T31 M32D26-Y28 HydrophobicContact CB-CD1 3.37Å; D26-Y28 HydrophobicContact CB-CE1 3.04Å; D26-Y28 HydrophobicContact CB-CE2 4.33Å; D26-Y28 HydrophobicContact CB-CG 4.12Å; D26-Y28 PolarHBondContact O-N 3.13Å; D26-Y28 VanDerWaalsContact O-N 3.11Å; D26-Y28 VanDerWaalsContact OD2-CE1 3.32Å; D26-Y28 WeakPolarHBondContact OD2-CE1 3.46Å; D26-Y28 VanDerWaalsContact OD2-CZ 3.25Å; D26-Y28 PolarHBondContact OD2-OH 2.76Å; Y28-T31 VanDerWaalsContact CA-OG1 3.32Å; Y28-T31 WeakPolarHBondContact CA-OG1 3.38Å; Y28-T31 PolarHBondContact O-N 2.99Å; Y28-T31 PolarHBondContact O-OG1 2.87Å; Y28-T31 VanDerWaalsContact O-OG1 3.09Å; Y28-M32 HydrophobicContact CD2-CE 3.67Å; Y28-M32 HydrophobicContact CE2-CE 4.02Å; Y28-M32 WeakPolarHBondContact O-CB 3.34Å; Y28-M32 VanDerWaalsContact O-CG 3.25Å; Y28-M32 WeakPolarHBondContact O-CG 3.41Å; Y28-M32 PolarHBondContact O-N 3.17Å
29Q98.3Very high96.5Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-66.6-41.2175-62.2-74.99.200110.4T25 D26 L27 M32 A33 Q139 L140 T143T25-Q29 WeakPolarHBondContact OG1-CG 3.48Å; D26-Q29 HydrophobicContact CB-CG 4.3Å; D26-Q29 VanDerWaalsContact O-CB 3.27Å; D26-Q29 WeakPolarHBondContact O-CB 3.28Å; D26-Q29 PolarHBondContact O-N 3.1Å; L27-Q29 PolarHBondContact O-N 3.48Å; Q29-M32 VanDerWaalsContact OE1-CE 3.27Å; Q29-A33 WeakPolarHBondContact O-CB 3.48Å; Q29-A33 PolarHBondContact O-N 3.23Å; Q29-Q139 PolarHBondContact OE1-O 3.41Å; Q29-L140 HydrophobicContact CB-CD2 4.07Å; Q29-T143 PolarHBondContact NE2-OG1 3.09Å
30F98.2Very high97Very high7 Ų751.1 Ų51.13%0.03128%0.279CS..Hα-helixtrans-73.3-35.9175.4-69.4-72.4000113.2L23 T25 L27 A33 Y34 L79 L87 L91 L103 L140L23-F30 HydrophobicContact CD2-CE2 4.03Å; L23-F30 HydrophobicContact CD2-CZ 4Å; T25-F30 HydrophobicContact CG2-CD2 4.06Å; T25-F30 HydrophobicContact CG2-CE2 3.32Å; T25-F30 HydrophobicContact CG2-CZ 3.94Å; L27-F30 PolarHBondContact O-N 2.82Å; L27-F30 VanDerWaalsContact O-N 3.12Å; F30-A33 PolarHBondContact O-N 3.16Å; F30-Y34 WeakPolarHBondContact O-CB 3.45Å; F30-Y34 PolarHBondContact O-N 3.13Å; F30-L79 HydrophobicContact CE1-CD1 4.21Å; F30-L79 HydrophobicContact CZ-CD2 4.39Å; F30-L87 HydrophobicContact CB-CD2 4.45Å; F30-L87 HydrophobicContact CD1-CD1 3.85Å; F30-L87 HydrophobicContact CD1-CD2 4.21Å; F30-L87 HydrophobicContact CD2-CD1 4.44Å; F30-L87 HydrophobicContact CD2-CD2 3.48Å; F30-L87 VanDerWaalsContact CD2-CD2 3.48Å; F30-L87 HydrophobicContact CE1-CD1 3.54Å; F30-L87 HydrophobicContact CE1-CD2 4.35Å; F30-L87 HydrophobicContact CE2-CD1 4.15Å; F30-L87 HydrophobicContact CE2-CD2 3.63Å; F30-L87 HydrophobicContact CG-CD1 4.3Å; F30-L87 HydrophobicContact CG-CD2 3.79Å; F30-L87 HydrophobicContact CZ-CD1 3.7Å; F30-L87 HydrophobicContact CZ-CD2 4.08Å; F30-L91 HydrophobicContact CB-CD2 4.21Å; F30-L103 HydrophobicContact CD1-CD1 4.43Å; F30-L103 HydrophobicContact CD1-CD2 4.25Å; F30-L103 HydrophobicContact CE1-CD2 4.34Å; F30-L140 HydrophobicContact CD1-CD2 3.77Å; F30-L140 HydrophobicContact CE1-CD2 3.78Å; F30-L140 HydrophobicContact CG-CD2 4.25Å; F30-L140 HydrophobicContact CZ-CD2 4.3Å
31T98Very high97.3Very high54 Ų5454.4 Ų54.433%0.33129%0.29SS..Hα-helixtrans-67.9-37.3175.264.90000111.6L27 Y28 Y34 A35 L91L27-T31 HydrophobicContact CG-CG2 4.45Å; L27-T31 PolarHBondContact O-N 3.4Å; L27-T31 VanDerWaalsContact O-N 3.13Å; Y28-T31 VanDerWaalsContact CA-OG1 3.32Å; Y28-T31 WeakPolarHBondContact CA-OG1 3.38Å; Y28-T31 PolarHBondContact O-N 2.99Å; Y28-T31 PolarHBondContact O-OG1 2.87Å; Y28-T31 VanDerWaalsContact O-OG1 3.09Å; T31-Y34 PolarHBondContact O-N 3.29Å; T31-A35 WeakPolarHBondContact O-CB 3.43Å; T31-A35 PolarHBondContact O-N 3.1Å; T31-L91 HydrophobicContact CG2-CD2 3.67Å
32M98Very high97.5Very high62 Ų6253.6 Ų53.631%0.30528%0.282SS..Hα-helixtrans-66.4-43.2171.3-73-171.6-51.100112Y28 Q29 Y34 A35 Y36 Q139Y28-M32 HydrophobicContact CD2-CE 3.67Å; Y28-M32 HydrophobicContact CE2-CE 4.02Å; Y28-M32 WeakPolarHBondContact O-CB 3.34Å; Y28-M32 VanDerWaalsContact O-CG 3.25Å; Y28-M32 WeakPolarHBondContact O-CG 3.41Å; Y28-M32 PolarHBondContact O-N 3.17Å; Q29-M32 VanDerWaalsContact OE1-CE 3.27Å; M32-Y34 VanDerWaalsContact C-N 3.31Å; M32-Y34 PolarHBondContact O-N 3.41Å; M32-A35 WeakPolarHBondContact O-CB 3.46Å; M32-A35 PolarHBondContact O-N 3.49Å; M32-A35 VanDerWaalsContact O-N 3.14Å; M32-Y36 WeakPolarHBondContact O-CD2 3.45Å; M32-Y36 PolarHBondContact O-N 3.22Å; M32-Q139 HydrophobicContact CE-CG 4.11Å
33A98.1Very high97.8Very high0 Ų058.1 Ų58.10%030%0.302CS..Hα-helixtrans-59.2-42.617500000111.5Q29 F30 Y36 W37 F99 A136 L140Q29-A33 WeakPolarHBondContact O-CB 3.48Å; Q29-A33 PolarHBondContact O-N 3.23Å; F30-A33 PolarHBondContact O-N 3.16Å; A33-Y36 PolarHBondContact O-N 2.67Å; A33-W37 WeakPolarHBondContact O-CB 3.49Å; A33-W37 PolarHBondContact O-N 3.38Å; A33-F99 HydrophobicContact CB-CE2 4.46Å; A33-F99 HydrophobicContact CB-CZ 4.13Å; A33-A136 HydrophobicContact CB-CB 4.43Å; A33-L140 HydrophobicContact CB-CD1 4.25Å; A33-L140 HydrophobicContact CB-CD2 4.14Å; A33-L140 HydrophobicContact CB-CG 4.21Å
34Y98.5Very high97.9Very high36 Ų3657.1 Ų57.114%0.14130%0.296CS..Hα-helixtrans-62.2-43.3173.2176.6-119.1000112F30 T31 M32 Y36 W37 R38 T95 D96 F99F30-Y34 WeakPolarHBondContact O-CB 3.45Å; F30-Y34 PolarHBondContact O-N 3.13Å; T31-Y34 PolarHBondContact O-N 3.29Å; M32-Y34 VanDerWaalsContact C-N 3.31Å; M32-Y34 PolarHBondContact O-N 3.41Å; Y34-Y36 PolarHBondContact O-N 3.16Å; Y34-W37 HydrophobicContact CD2-CE3 4.5Å; Y34-W37 HydrophobicContact CE2-CE3 4.34Å; Y34-W37 WeakPolarHBondContact O-CB 3.25Å; Y34-W37 PolarHBondContact O-N 3.28Å; Y34-W37 VanDerWaalsContact O-N 3.13Å; Y34-R38 HydrophobicContact CD1-CG 4.34Å; Y34-R38 HydrophobicContact CD2-CG 3.87Å; Y34-R38 HydrophobicContact CE1-CG 3.87Å; Y34-R38 HydrophobicContact CE2-CG 3.32Å; Y34-R38 HydrophobicContact CG-CG 4.35Å; Y34-R38 WeakPolarHBondContact O-CB 3.37Å; Y34-R38 WeakPolarHBondContact O-CG 3.45Å; Y34-R38 PolarHBondContact O-N 3.04Å; Y34-R38 WeakPolarHBondContact OH-CD 3.31Å; Y34-T95 HydrophobicContact CD1-CG2 4.47Å; Y34-T95 HydrophobicContact CD2-CG2 3.84Å; Y34-T95 HydrophobicContact CE1-CG2 4.35Å; Y34-T95 HydrophobicContact CE2-CG2 3.71Å; Y34-T95 HydrophobicContact CG-CG2 4.22Å; Y34-T95 WeakPolarHBondContact OH-CA 3.43Å; Y34-D96 HydrophobicContact CE2-CB 3.95Å; Y34-D96 PolarHBondContact OH-N 2.72Å; Y34-F99 HydrophobicContact CD2-CB 3.83Å; Y34-F99 AromaticContact CD2-CD1 3.79Å; Y34-F99 HydrophobicContact CD2-CD1 3.79Å; Y34-F99 AromaticContact CD2-CD2 3.96Å; Y34-F99 HydrophobicContact CD2-CD2 3.96Å; Y34-F99 HydrophobicContact CD2-CE1 4.32Å; Y34-F99 HydrophobicContact CD2-CE2 4.47Å; Y34-F99 AromaticContact CD2-CG 3.58Å; Y34-F99 HydrophobicContact CD2-CG 3.58Å; Y34-F99 HydrophobicContact CE2-CB 4.11Å; Y34-F99 HydrophobicContact CE2-CG 4.35Å; Y34-F99 HydrophobicContact CG-CD1 4.32Å; Y34-F99 HydrophobicContact CG-CE1 4.45Å; Y34-F99 HydrophobicContact CG-CG 4.45Å
35A98.4Very high98Very high55 Ų5557.7 Ų57.746%0.45530%0.304SS..Hα-helixtrans-62.3-42176.900000112.1T31 M32 W37 A39T31-A35 WeakPolarHBondContact O-CB 3.43Å; T31-A35 PolarHBondContact O-N 3.1Å; M32-A35 WeakPolarHBondContact O-CB 3.46Å; M32-A35 PolarHBondContact O-N 3.49Å; M32-A35 VanDerWaalsContact O-N 3.14Å; A35-W37 VanDerWaalsContact C-N 3.32Å; A35-W37 PolarHBondContact O-N 2.93Å; A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.27Å
36Y98.4Very high98.1Very high50 Ų5056.5 Ų56.520%0.19630%0.296CS..Hα-helixtrans-63.2-39.1171.7-67.1-41.2000112.1M32 A33 Y34 A39 G40 R41 H42 L135 Q139M32-Y36 WeakPolarHBondContact O-CD2 3.45Å; M32-Y36 PolarHBondContact O-N 3.22Å; A33-Y36 PolarHBondContact O-N 2.67Å; Y34-Y36 PolarHBondContact O-N 3.16Å; Y36-A39 PolarHBondContact O-N 3.12Å; Y36-G40 PolarHBondContact O-N 3.41Å; Y36-R41 HydrophobicContact CD1-CB 4.48Å; Y36-R41 PolarHBondContact O-N 3.37Å; Y36-H42 PolarHBondContact O-N 2.83Å; Y36-H42 VanDerWaalsContact O-N 3.11Å; Y36-L135 HydrophobicContact CD1-CD2 3.8Å; Y36-L135 HydrophobicContact CD1-CG 4.47Å; Y36-L135 HydrophobicContact CD2-CD2 4.26Å; Y36-L135 HydrophobicContact CD2-CG 4.05Å; Y36-L135 HydrophobicContact CE1-CD2 3.78Å; Y36-L135 HydrophobicContact CE1-CG 4.42Å; Y36-L135 HydrophobicContact CE2-CD1 4.3Å; Y36-L135 HydrophobicContact CE2-CD2 4.22Å; Y36-L135 HydrophobicContact CE2-CG 3.96Å; Y36-L135 HydrophobicContact CG-CD2 4.07Å; Y36-L135 HydrophobicContact CG-CG 4.31Å; Y36-Q139 HydrophobicContact CE2-CB 4.41Å; Y36-Q139 HydrophobicContact CE2-CG 4.17Å
37W98.4Very high98.1Very high53 Ų5353.4 Ų53.420%0.20128%0.28CS..Hα-helixtrans-63.2-51.5177.9-17291.4000111.4A33 Y34 A35 A39 G40 H42 D96 A98 F99 F102A33-W37 WeakPolarHBondContact O-CB 3.49Å; A33-W37 PolarHBondContact O-N 3.38Å; Y34-W37 HydrophobicContact CD2-CE3 4.5Å; Y34-W37 HydrophobicContact CE2-CE3 4.34Å; Y34-W37 WeakPolarHBondContact O-CB 3.25Å; Y34-W37 PolarHBondContact O-N 3.28Å; Y34-W37 VanDerWaalsContact O-N 3.13Å; A35-W37 VanDerWaalsContact C-N 3.32Å; A35-W37 PolarHBondContact O-N 2.93Å; W37-A39 VanDerWaalsContact C-N 3.29Å; W37-A39 PolarHBondContact O-N 2.98Å; W37-G40 PolarHBondContact O-N 3.11Å; W37-H42 HydrophobicContact CB-CB 4.27Å; W37-H42 AromaticContact CD1-CD2 3.71Å; W37-H42 AromaticContact CD1-CE1 3.85Å; W37-H42 AromaticContact CD1-CG 3.79Å; W37-H42 AromaticContact CD1-ND1 3.87Å; W37-H42 AromaticContact CD1-NE2 3.77Å; W37-D96 HydrophobicContact CH2-CB 4.44Å; W37-D96 HydrophobicContact CZ3-CB 3.88Å; W37-A98 HydrophobicContact CH2-CB 3.87Å; W37-A98 HydrophobicContact CZ2-CB 4.08Å; W37-F99 HydrophobicContact CB-CD2 3.78Å; W37-F99 HydrophobicContact CB-CE2 3.98Å; W37-F99 HydrophobicContact CD2-CB 4.41Å; W37-F99 HydrophobicContact CD2-CD2 4.07Å; W37-F99 HydrophobicContact CE3-CB 4.31Å; W37-F99 AromaticContact CG-CD2 3.71Å; W37-F99 HydrophobicContact CG-CD2 3.71Å; W37-F99 HydrophobicContact CG-CE2 4.31Å; W37-F102 AromaticContact CD1-CD1 3.75Å; W37-F102 AromaticContact CD1-CG 3.66Å; W37-F102 AromaticContact NE1-CG 3.76Å
38R97.9Very high98.2Very high147 Ų14749.5 Ų49.556%0.55526%0.259SS*.Hα-helixtrans-61.7-33.6177.1-72-66.5-68-174.5-1113.4Y34 G40 D96Y34-R38 HydrophobicContact CD1-CG 4.34Å; Y34-R38 HydrophobicContact CD2-CG 3.87Å; Y34-R38 HydrophobicContact CE1-CG 3.87Å; Y34-R38 HydrophobicContact CE2-CG 3.32Å; Y34-R38 HydrophobicContact CG-CG 4.35Å; Y34-R38 WeakPolarHBondContact O-CB 3.37Å; Y34-R38 WeakPolarHBondContact O-CG 3.45Å; Y34-R38 PolarHBondContact O-N 3.04Å; Y34-R38 WeakPolarHBondContact OH-CD 3.31Å; R38-G40 PolarHBondContact O-N 2.8Å; R38-D96 IonicContact NH1-OD2 3.02Å; R38-D96 PolarHBondContact NH1-OD2 3.16Å
39A98Very high98.3Very high65 Ų6544.2 Ų44.254%0.53724%0.238SC..THydrogen-bonded Turntrans-78.2-2.7175.500000113.5A35 Y36 W37 R41A35-A39 VanDerWaalsContact O-CB 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.27Å; Y36-A39 PolarHBondContact O-N 3.12Å; W37-A39 VanDerWaalsContact C-N 3.29Å; W37-A39 PolarHBondContact O-N 2.98Å; A39-R41 HydrophobicContact CB-CB 4.46Å; A39-R41 HydrophobicContact CB-CG 3.88Å; A39-R41 WeakPolarHBondContact O-CG 3.39Å; A39-R41 PolarHBondContact O-N 3.38Å
40G97.9Very high98.3Very high56 Ų5644.2 Ų44.258%0.57724%0.238SC*.THydrogen-bonded Turntrans7016.4-174.500000114.1Y36 W37 R38Y36-G40 PolarHBondContact O-N 3.41Å; W37-G40 PolarHBondContact O-N 3.11Å; R38-G40 PolarHBondContact O-N 2.8Å
41R98.1Very high98.3Very high78 Ų7844.6 Ų44.629%0.29424%0.24SC..  trans-102.2-7.9-173.4-58.9-170.962.1-145.4-14.9114.5Y36 A39 Q43 E44Y36-R41 HydrophobicContact CD1-CB 4.48Å; Y36-R41 PolarHBondContact O-N 3.37Å; A39-R41 HydrophobicContact CB-CB 4.46Å; A39-R41 HydrophobicContact CB-CG 3.88Å; A39-R41 WeakPolarHBondContact O-CG 3.39Å; A39-R41 PolarHBondContact O-N 3.38Å; R41-Q43 PolarHBondContact O-N 2.96Å; R41-Q43 VanDerWaalsContact O-N 3.14Å; R41-E44 HydrophobicContact CB-CG 4.27Å; R41-E44 VanDerWaalsContact CG-OE1 3.31Å; R41-E44 WeakPolarHBondContact CG-OE1 3.37Å; R41-E44 IonicContact CZ-OE1 3.67Å; R41-E44 IonicContact CZ-OE2 3.89Å; R41-E44 IonicContact NE-OE1 3.65Å; R41-E44 PolarHBondContact NE-OE1 3.42Å; R41-E44 IonicContact NE-OE2 3.46Å; R41-E44 PolarHBondContact NE-OE2 3.43Å; R41-E44 IonicContact NH2-OE1 2.85Å; R41-E44 IonicContact NH2-OE2 2.63Å; R41-E44 PolarHBondContact NH2-OE2 3.11Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 WeakPolarHBondContact O-CG 3.49Å; R41-E44 PolarHBondContact O-N 3.33Å
42H98.2Very high98.2Very high34 Ų3442 Ų4216%0.15722%0.224CC..THydrogen-bonded Turntrans-57.3-27.8-175.159.6-73.3000114.5Y36 W37 F102 L135 A136Y36-H42 PolarHBondContact O-N 2.83Å; Y36-H42 VanDerWaalsContact O-N 3.11Å; W37-H42 HydrophobicContact CB-CB 4.27Å; W37-H42 AromaticContact CD1-CD2 3.71Å; W37-H42 AromaticContact CD1-CE1 3.85Å; W37-H42 AromaticContact CD1-CG 3.79Å; W37-H42 AromaticContact CD1-ND1 3.87Å; W37-H42 AromaticContact CD1-NE2 3.77Å; H42-F102 HydrophobicContact CB-CZ 4.43Å; H42-F102 AromaticContact CD2-CE2 3.65Å; H42-F102 AromaticContact CD2-CZ 3.95Å; H42-L135 PolarHBondContact O-N 3.36Å; H42-A136 HydrophobicContact CB-CB 3.66Å; H42-A136 PolarHBondContact O-N 3.27Å; H42-A136 VanDerWaalsContact O-N 3.08Å
43Q97.9Very high98.1Very high112 Ų11240.7 Ų40.752%0.52322%0.216SC..THydrogen-bonded Turntrans-95.30.9176.9-61.7-62.7-14.900114.3R41R41-Q43 PolarHBondContact O-N 2.96Å; R41-Q43 VanDerWaalsContact O-N 3.14Å
44E98.4Very high97.9Very high28 Ų2845.5 Ų45.513%0.13124%0.242CC..SBendtrans-60134.8177.2-73.2-179.9-172.400109.8R41 A46 L135 V407 R408R41-E44 HydrophobicContact CB-CG 4.27Å; R41-E44 VanDerWaalsContact CG-OE1 3.31Å; R41-E44 WeakPolarHBondContact CG-OE1 3.37Å; R41-E44 IonicContact CZ-OE1 3.67Å; R41-E44 IonicContact CZ-OE2 3.89Å; R41-E44 IonicContact NE-OE1 3.65Å; R41-E44 PolarHBondContact NE-OE1 3.42Å; R41-E44 IonicContact NE-OE2 3.46Å; R41-E44 PolarHBondContact NE-OE2 3.43Å; R41-E44 IonicContact NH2-OE1 2.85Å; R41-E44 IonicContact NH2-OE2 2.63Å; R41-E44 PolarHBondContact NH2-OE2 3.11Å; R41-E44 WeakPolarHBondContact O-CB 3.44Å; R41-E44 WeakPolarHBondContact O-CG 3.49Å; R41-E44 PolarHBondContact O-N 3.33Å; E44-A46 PolarHBondContact O-N 3.5Å; E44-L135 HydrophobicContact CB-CB 4.38Å; E44-L135 WeakPolarHBondContact O-CB 2.85Å; E44-L135 PolarHBondContact O-N 2.86Å; E44-V407 HydrophobicContact CB-CG2 4.27Å; E44-V407 WeakPolarHBondContact OE2-CG2 3.49Å; E44-R408 HydrophobicContact CB-CG 4.1Å; E44-R408 HydrophobicContact CG-CG 3.98Å; E44-R408 IonicContact OE1-CZ 3.56Å; E44-R408 VanDerWaalsContact OE1-CZ 3.27Å; E44-R408 IonicContact OE1-NE 3.99Å; E44-R408 PolarHBondContact OE1-NE 3.03Å; E44-R408 IonicContact OE1-NH1 2.9Å; E44-R408 IonicContact OE1-NH2 2.89Å; E44-R408 PolarHBondContact OE1-NH2 2.93Å; E44-R408 IonicContact OE2-CZ 3.98Å; E44-R408 IonicContact OE2-NE 3.69Å; E44-R408 PolarHBondContact OE2-NE 2.8Å; E44-R408 IonicContact OE2-NH2 2.72Å; E44-R408 PolarHBondContact OE2-NH2 3.36Å
45P98.3Very high97.7Very high80 Ų8045.4 Ų45.452%0.51924%0.244SC..EExtended strand (participates in β ladder)trans-66.6127.9175.226.8-33000109.3V407 R408P45-V407 WeakPolarHBondContact O-CA 3.37Å; P45-R408 PolarHBondContact O-N 3.11Å
46A98.4Very high97.6Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-134147.4-178.100000110.8E44 F48 E132 G133 L135 V138 L404 E406 V407E44-A46 PolarHBondContact O-N 3.5Å; A46-F48 HydrophobicContact CB-CD2 4.47Å; A46-F48 HydrophobicContact CB-CE2 4.03Å; A46-E132 WeakPolarHBondContact O-CA 3.31Å; A46-G133 PolarHBondContact N-O 3.46Å; A46-G133 PolarHBondContact O-N 3.04Å; A46-L135 HydrophobicContact CB-CB 4.07Å; A46-L135 HydrophobicContact CB-CD1 3.68Å; A46-L135 HydrophobicContact CB-CG 4.47Å; A46-V138 HydrophobicContact CB-CG2 4.09Å; A46-L404 HydrophobicContact CB-CD1 3.99Å; A46-E406 WeakPolarHBondContact CA-O 3.45Å; A46-V407 HydrophobicContact CB-CG2 4.44Å
47V98.6Very high97.5Very high3 Ų340.7 Ų40.72%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-124.4124.5175.6-173.10000108.9E130 V131 E132 V405 E406 R427V47-E130 HydrophobicContact CG1-CG 3.44Å; V47-E130 VanDerWaalsContact CG1-CG 3.44Å; V47-V131 WeakPolarHBondContact CA-O 3.37Å; V47-E132 HydrophobicContact CG2-CB 4.28Å; V47-E132 HydrophobicContact CG2-CG 4.17Å; V47-V405 HydrophobicContact CB-CG2 4.12Å; V47-V405 HydrophobicContact CG1-CG2 3.87Å; V47-V405 WeakPolarHBondContact O-CG2 3.24Å; V47-V405 PolarHBondContact O-N 3.2Å; V47-E406 HydrophobicContact CB-CB 3.97Å; V47-E406 HydrophobicContact CG2-CB 4.15Å; V47-E406 PolarHBondContact N-O 2.88Å; V47-E406 PolarHBondContact O-N 3.26Å; V47-R427 HydrophobicContact CG1-CG 4.35Å
48F98.7Very high97.3Very high6 Ų640.9 Ų40.93%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-112.6151.6172.2-71.6-106.5000110.2A46 E130 V131 L135 V138 Q139 Y402 K403 L404A46-F48 HydrophobicContact CB-CD2 4.47Å; A46-F48 HydrophobicContact CB-CE2 4.03Å; F48-E130 CarbonylContact O-C 3.6Å; F48-E130 WeakPolarHBondContact O-CA 3.45Å; F48-V131 PolarHBondContact N-O 3.27Å; F48-V131 PolarHBondContact O-N 3.21Å; F48-L135 HydrophobicContact CE2-CD1 4.09Å; F48-L135 HydrophobicContact CZ-CD1 4.23Å; F48-V138 HydrophobicContact CD2-CB 4.29Å; F48-V138 HydrophobicContact CD2-CG2 3.63Å; F48-V138 HydrophobicContact CE2-CG2 3.56Å; F48-Q139 VanDerWaalsContact CZ-OE1 3.31Å; F48-Y402 HydrophobicContact CB-CD1 3.97Å; F48-Y402 HydrophobicContact CB-CD2 4.42Å; F48-Y402 HydrophobicContact CB-CE1 3.35Å; F48-Y402 HydrophobicContact CB-CE2 3.84Å; F48-Y402 HydrophobicContact CB-CG 4.48Å; F48-Y402 AromaticContact CD1-CD1 3.39Å; F48-Y402 HydrophobicContact CD1-CD1 3.39Å; F48-Y402 AromaticContact CD1-CE1 3.12Å; F48-Y402 HydrophobicContact CD1-CE1 3.12Å; F48-Y402 HydrophobicContact CD1-CG 4.45Å; F48-Y402 HydrophobicContact CD2-CE1 4.09Å; F48-Y402 HydrophobicContact CE1-CD1 4.11Å; F48-Y402 AromaticContact CE1-CE1 3.85Å; F48-Y402 HydrophobicContact CE1-CE1 3.85Å; F48-Y402 AromaticContact CG-CD1 3.95Å; F48-Y402 HydrophobicContact CG-CD1 3.95Å; F48-Y402 AromaticContact CG-CE1 3.26Å; F48-Y402 HydrophobicContact CG-CE1 3.26Å; F48-Y402 AromaticContact CG-CZ 3.68Å; F48-K403 CarbonylContact C-O 3.48Å; F48-K403 VanDerWaalsContact CA-O 3.23Å; F48-K403 WeakPolarHBondContact CA-O 3.46Å; F48-K403 VanDerWaalsContact CD1-C 3.43Å; F48-L404 HydrophobicContact CD1-CB 4Å; F48-L404 HydrophobicContact CD2-CD1 3.96Å; F48-L404 HydrophobicContact CE1-CB 3.67Å; F48-L404 HydrophobicContact CE1-CD1 4.27Å; F48-L404 HydrophobicContact CE2-CB 4.47Å; F48-L404 HydrophobicContact CE2-CD1 3.52Å; F48-L404 HydrophobicContact CG-CD1 4.48Å; F48-L404 HydrophobicContact CZ-CB 3.93Å; F48-L404 HydrophobicContact CZ-CD1 3.71Å; F48-L404 HydrophobicContact CZ-CG 4.37Å
49E98.6Very high97.1Very high2 Ų234.4 Ų34.41%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-126.5141.8171.8-74.6-174.2150.700111.5P127 M129 E130 Y402 K403 V405 K428 R482E49-P127 HydrophobicContact CB-CB 4.22Å; E49-P127 HydrophobicContact CG-CB 4.23Å; E49-P127 WeakPolarHBondContact OE2-CG 3.44Å; E49-M129 CarbonylContact C-O 3.46Å; E49-M129 VanDerWaalsContact CA-O 3.3Å; E49-M129 WeakPolarHBondContact CA-O 3.35Å; E49-E130 HydrophobicContact CG-CB 4.34Å; E49-E130 HydrophobicContact CG-CG 4.49Å; E49-Y402 WeakPolarHBondContact O-CA 3.29Å; E49-K403 PolarHBondContact N-O 3.31Å; E49-K403 PolarHBondContact O-N 3.47Å; E49-V405 HydrophobicContact CB-CG1 4.14Å; E49-V405 HydrophobicContact CG-CG1 4.26Å; E49-V405 HydrophobicContact CG-CG2 3.94Å; E49-K428 IonicContact OE1-NZ 2.69Å; E49-K428 WeakPolarHBondContact OE2-CE 3.42Å; E49-K428 IonicContact OE2-NZ 3.85Å; E49-K428 PolarHBondContact OE2-NZ 2.85Å; E49-R482 IonicContact OE1-CZ 3.67Å; E49-R482 IonicContact OE1-NH1 3.22Å; E49-R482 PolarHBondContact OE1-NH1 3.42Å; E49-R482 IonicContact OE1-NH2 3.82Å; E49-R482 PolarHBondContact OE1-NH2 2.98Å
50M98.6Very high97Very high0 Ų031.6 Ų31.60%019%0.188CC..EExtended strand (participates in β ladder)trans-105.6129.7174.3-170.8-174.9-67.300111P127 L128 M129 L145 L146 V149 C400 V401 Y402M50-P127 CarbonylContact O-C 3.6Å; M50-P127 WeakPolarHBondContact O-CA 3.23Å; M50-L128 PolarHBondContact O-N 2.96Å; M50-M129 HydrophobicContact CB-CB 4.23Å; M50-M129 PolarHBondContact N-O 2.99Å; M50-L145 HydrophobicContact CE-CB 3.66Å; M50-L146 HydrophobicContact CE-CD2 3.91Å; M50-L146 HydrophobicContact CE-CG 4.11Å; M50-L146 HydrophobicContact CG-CD2 4.11Å; M50-L146 HydrophobicContact SD-CD2 4.16Å; M50-V149 HydrophobicContact CE-CG2 4.37Å; M50-V149 HydrophobicContact SD-CB 3.65Å; M50-V149 HydrophobicContact SD-CG1 3.7Å; M50-V149 HydrophobicContact SD-CG2 3.81Å; M50-C400 HydrophobicContact CG-CB 4.26Å; M50-C400 HydrophobicContact SD-CB 4.44Å; M50-V401 VanDerWaalsContact CA-O 3.24Å; M50-V401 WeakPolarHBondContact CA-O 3.39Å; M50-Y402 HydrophobicContact CB-CD2 4.21Å; M50-Y402 HydrophobicContact CE-CD2 4.06Å
51F98.1Very high97Very high15 Ų1529.7 Ų29.77%0.06616%0.164CC..EExtended strand (participates in β ladder)trans-154.3168.3174.462.4-84.1000110.1V126 C400 V401 K403 T423F51-V126 VanDerWaalsContact CB-O 3.27Å; F51-V126 WeakPolarHBondContact CB-O 3.47Å; F51-C400 CarbonylContact O-C 2.95Å; F51-C400 VanDerWaalsContact O-CA 3.27Å; F51-C400 WeakPolarHBondContact O-CA 3.49Å; F51-V401 HydrophobicContact CD1-CG2 4.09Å; F51-V401 HydrophobicContact CD2-CG2 3.96Å; F51-V401 HydrophobicContact CE1-CG2 3.77Å; F51-V401 HydrophobicContact CE2-CG2 3.64Å; F51-V401 HydrophobicContact CG-CG2 4.18Å; F51-V401 HydrophobicContact CZ-CG2 3.54Å; F51-V401 PolarHBondContact N-O 3.47Å; F51-V401 WeakPolarHBondContact O-CG2 3.38Å; F51-V401 PolarHBondContact O-N 3.46Å; F51-K403 HydrophobicContact CE1-CB 4.47Å; F51-K403 HydrophobicContact CE1-CG 4.26Å; F51-T423 HydrophobicContact CZ-CG2 4.27Å
52F97.6Very high97Very high0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-114.6160.5170.660.1-89.4000110.8D54 N55 S62 V122 A124 R125 L128 L398F52-D54 WeakPolarHBondContact CD2-O 3.5Å; F52-N55 WeakPolarHBondContact CE2-OD1 3.4Å; F52-S62 VanDerWaalsContact CZ-OG 3.3Å; F52-S62 WeakPolarHBondContact CZ-OG 3.44Å; F52-V122 HydrophobicContact CE1-CG2 3.86Å; F52-V122 HydrophobicContact CZ-CG2 4.18Å; F52-A124 HydrophobicContact CD2-CB 4.22Å; F52-A124 HydrophobicContact CE2-CB 3.93Å; F52-A124 VanDerWaalsContact CE2-N 3.3Å; F52-R125 PolarHBondContact O-N 3.5Å; F52-L128 HydrophobicContact CD1-CD1 3.94Å; F52-L128 HydrophobicContact CE1-CD1 4.18Å; F52-L128 HydrophobicContact CE1-CD2 4.22Å; F52-L398 HydrophobicContact CB-CD1 4.45Å; F52-L398 HydrophobicContact CB-CG 4Å; F52-L398 HydrophobicContact CD1-CD1 4.38Å; F52-L398 HydrophobicContact CD1-CD2 4.02Å; F52-L398 HydrophobicContact CD1-CG 4.22Å; F52-L398 HydrophobicContact CD2-CD1 4.18Å; F52-L398 HydrophobicContact CG-CD1 4.08Å; F52-L398 HydrophobicContact CG-CD2 4.35Å; F52-L398 HydrophobicContact CG-CG 4.03Å
53R94Very high97Very high35 Ų3524.3 Ų24.313%0.13214%0.143CC..SBendtrans-90.2-31.7-170.4-63.9-172.7-178.5-78.35.4114.5A124 R125 Q420 K421R53-A124 VanDerWaalsContact O-CB 3.3Å; R53-A124 WeakPolarHBondContact O-CB 3.32Å; R53-R125 PolarHBondContact O-NE 3.49Å; R53-Q420 PolarHBondContact NH1-O 3.39Å; R53-K421 VanDerWaalsContact NH1-CA 3.31Å; R53-K421 PolarHBondContact NH1-O 3.23Å; R53-K421 PolarHBondContact NH2-O 3.25Å
54D94Very high97.1Very high101 Ų10119 Ų1954%0.5412%0.118SC..SBendtrans-144.1140.7-172.5-55.9-69.1000109.3F52F52-D54 WeakPolarHBondContact CD2-O 3.5Å
55N95.3Very high97.1Very high33 Ų3317.7 Ų17.718%0.17611%0.112CC..  trans-63.6138.4173.2-74-45.1000109.8F52 G59 G60 S62F52-N55 WeakPolarHBondContact CE2-OD1 3.4Å; N55-G59 WeakPolarHBondContact CB-O 3.33Å; N55-G59 PolarHBondContact ND2-O 3.32Å; N55-G60 VanDerWaalsContact ND2-C 3.25Å; N55-G60 PolarHBondContact ND2-O 3.14Å; N55-G60 VanDerWaalsContact ND2-O 3.1Å; N55-S62 PolarHBondContact OD1-OG 3.4Å
56P96.3Very high97Very high1 Ų113.9 Ų13.91%0.0069%0.087CC..G310 helixtrans-71.7158.2-175.733.9-36.6000111.1G58 G59 S62 L154 L398P56-G58 PolarHBondContact O-N 2.96Å; P56-G58 VanDerWaalsContact O-N 3.08Å; P56-G59 PolarHBondContact O-N 3.25Å; P56-S62 WeakPolarHBondContact CD-OG 3.34Å; P56-L154 HydrophobicContact CB-CD1 3.67Å; P56-L154 HydrophobicContact CG-CD1 4.22Å; P56-L398 HydrophobicContact CB-CD1 4.01Å; P56-L398 HydrophobicContact CG-CD1 3.69Å
57F95.6Very high97Very high6 Ų614.3 Ų14.33%0.0269%0.089CC..G310 helixtrans64.99.8172.8-40.6-63.7000115.3G59 L154 N158 C392 K394 Q395F57-G59 VanDerWaalsContact C-N 3.3Å; F57-L154 HydrophobicContact CE1-CD1 4.07Å; F57-L154 HydrophobicContact CE2-CD1 3.83Å; F57-L154 HydrophobicContact CZ-CD1 3.35Å; F57-L154 HydrophobicContact CZ-CG 3.87Å; F57-N158 HydrophobicContact CE2-CB 3.77Å; F57-N158 HydrophobicContact CZ-CB 3.77Å; F57-C392 HydrophobicContact CE1-CB 3.96Å; F57-C392 HydrophobicContact CZ-CB 3.95Å; F57-K394 HydrophobicContact CB-CD 4.36Å; F57-K394 HydrophobicContact CD1-CB 4.24Å; F57-K394 PolarHBondContact O-NZ 3.47Å; F57-Q395 HydrophobicContact CD1-CB 3.87Å; F57-Q395 HydrophobicContact CE1-CB 3.9Å
58G93.9Very high96.8Very high57 Ų5714.6 Ų14.659%0.5889%0.091SC*.G310 helixtrans72.722.4-168.900000113.1P56 P522P56-G58 PolarHBondContact O-N 2.96Å; P56-G58 VanDerWaalsContact O-N 3.08Å; G58-P522 WeakPolarHBondContact O-CD 3.41Å
59G94.9Very high96.6Very high11 Ų1114.5 Ų14.511%0.1139%0.09CC..  trans-79.2164.9179.700000114.2N55 P56 F57N55-G59 WeakPolarHBondContact CB-O 3.33Å; N55-G59 PolarHBondContact ND2-O 3.32Å; P56-G59 PolarHBondContact O-N 3.25Å; F57-G59 VanDerWaalsContact C-N 3.3Å
60G95.9Very high96.5Very high5 Ų514.4 Ų14.45%0.0529%0.09CC..SBendtrans-85.7-12.1178.900000113.9N55 F123 H516N55-G60 VanDerWaalsContact ND2-C 3.25Å; N55-G60 PolarHBondContact ND2-O 3.14Å; N55-G60 VanDerWaalsContact ND2-O 3.1Å; G60-F123 WeakPolarHBondContact O-CD1 3.25Å; G60-F123 WeakPolarHBondContact O-CE1 3.36Å; G60-H516 WeakPolarHBondContact CA-O 3.43Å
61F97.9Very high96.4Very high16 Ų1614.7 Ų14.77%0.079%0.092CC..  trans-154.4168.4-17772.8-83.8000111.5L63 V121 F123 L164 L509 L512 K517F61-L63 HydrophobicContact CD2-CD2 4.49Å; F61-L63 HydrophobicContact CE2-CD2 4.22Å; F61-L63 HydrophobicContact CE2-CG 4.14Å; F61-V121 HydrophobicContact CB-CG1 3.89Å; F61-V121 HydrophobicContact CD2-CG1 4.18Å; F61-V121 HydrophobicContact CD2-CG2 4.32Å; F61-V121 HydrophobicContact CG-CG1 4.29Å; F61-F123 HydrophobicContact CB-CD1 4.35Å; F61-F123 HydrophobicContact CB-CE1 3.86Å; F61-L164 HydrophobicContact CE1-CD1 4.14Å; F61-L164 HydrophobicContact CZ-CD1 4.06Å; F61-L509 HydrophobicContact CD2-CD2 4.22Å; F61-L509 HydrophobicContact CE1-CD2 4.41Å; F61-L509 HydrophobicContact CE2-CD2 3.41Å; F61-L509 VanDerWaalsContact CE2-CD2 3.41Å; F61-L509 HydrophobicContact CZ-CD2 3.52Å; F61-L512 HydrophobicContact CB-CD2 3.88Å; F61-L512 HydrophobicContact CD1-CD2 3.47Å; F61-L512 VanDerWaalsContact CD1-CD2 3.47Å; F61-L512 HydrophobicContact CD2-CD2 4.36Å; F61-L512 HydrophobicContact CE1-CD2 4.1Å; F61-L512 HydrophobicContact CG-CD2 3.63Å; F61-K517 HydrophobicContact CE1-CG 4.19Å
62S98.4Very high96.2Very high0 Ų014.1 Ų14.10%09%0.089CC..EExtended strand (participates in β ladder)trans-128164166.8-50.70000110.3F52 N55 P56 V121 V122 S157F52-S62 VanDerWaalsContact CZ-OG 3.3Å; F52-S62 WeakPolarHBondContact CZ-OG 3.44Å; N55-S62 PolarHBondContact OD1-OG 3.4Å; P56-S62 WeakPolarHBondContact CD-OG 3.34Å; S62-V121 CarbonylContact O-C 3.56Å; S62-V121 WeakPolarHBondContact O-CA 3.38Å; S62-V122 PolarHBondContact N-O 3.26Å; S62-V122 PolarHBondContact O-N 3.25Å; S62-S157 WeakPolarHBondContact CA-OG 3.23Å
63L98.6Very high96.1Very high0 Ų014.2 Ų14.20%09%0.09CC..EExtended strand (participates in β ladder)trans-106.9126.9170.2-66.6175.7000109.4F61 A65 V121 S153 C156 S157 A160 V505 L509F61-L63 HydrophobicContact CD2-CD2 4.49Å; F61-L63 HydrophobicContact CE2-CD2 4.22Å; F61-L63 HydrophobicContact CE2-CG 4.14Å; L63-A65 PolarHBondContact O-N 3.01Å; L63-V121 HydrophobicContact CD2-CG2 3.83Å; L63-S153 WeakPolarHBondContact O-CA 3.49Å; L63-S153 VanDerWaalsContact O-CB 3.3Å; L63-S153 WeakPolarHBondContact O-CB 3.49Å; L63-C156 HydrophobicContact CB-CB 4.29Å; L63-S157 PolarHBondContact N-OG 2.84Å; L63-A160 HydrophobicContact CD1-CB 3.56Å; L63-V505 HydrophobicContact CD1-CG1 3.55Å; L63-V505 HydrophobicContact CD1-CG2 4.3Å; L63-V505 HydrophobicContact CD2-CG1 4.08Å; L63-V505 HydrophobicContact CD2-CG2 4.49Å; L63-V505 HydrophobicContact CG-CG1 4.47Å; L63-L509 HydrophobicContact CD2-CD2 4.24Å; L63-L509 HydrophobicContact CD2-CG 4.36Å
64F98.6Very high96.2Very high0 Ų012.8 Ų12.80%09%0.085CC..  trans-77.7121.2175.6178.8-125.6000110.6L67 S115 L116 G119 S120 V122 L128 M129 V149F64-L67 HydrophobicContact CE1-CB 4Å; F64-L67 HydrophobicContact CE1-CD2 4.33Å; F64-L67 HydrophobicContact CZ-CB 4.07Å; F64-S115 VanDerWaalsContact CE1-OG 3.28Å; F64-S115 WeakPolarHBondContact CE1-OG 3.44Å; F64-S115 WeakPolarHBondContact CZ-OG 3.38Å; F64-L116 HydrophobicContact CD1-CB 4.1Å; F64-L116 HydrophobicContact CE1-CB 4.45Å; F64-L116 WeakPolarHBondContact CE1-O 3.26Å; F64-G119 PolarHBondContact O-N 3.06Å; F64-S120 PolarHBondContact N-O 3.2Å; F64-V122 HydrophobicContact CB-CB 4.5Å; F64-V122 HydrophobicContact CB-CG1 3.7Å; F64-V122 HydrophobicContact CB-CG2 3.97Å; F64-L128 HydrophobicContact CD2-CB 4.05Å; F64-L128 HydrophobicContact CD2-CD1 3.84Å; F64-L128 HydrophobicContact CD2-CD2 4.35Å; F64-L128 HydrophobicContact CD2-CG 4.31Å; F64-L128 HydrophobicContact CE2-CB 3.89Å; F64-L128 HydrophobicContact CE2-CD1 4.15Å; F64-L128 HydrophobicContact CZ-CB 4.4Å; F64-M129 HydrophobicContact CZ-CE 4.44Å; F64-V149 HydrophobicContact CD2-CG1 4.26Å; F64-V149 HydrophobicContact CE2-CG1 3.78Å; F64-V149 HydrophobicContact CE2-CG2 4.3Å
65A98.4Very high96.2Very high1 Ų114 Ų141%0.0088%0.082CC..  trans-145.3159.2178.800000111.1L63 E118 A152 S153 C156 Y192L63-A65 PolarHBondContact O-N 3.01Å; A65-E118 WeakPolarHBondContact CA-OE1 3.26Å; A65-A152 HydrophobicContact CB-CB 4.07Å; A65-S153 PolarHBondContact N-OG 2.93Å; A65-S153 PolarHBondContact O-OG 3.16Å; A65-C156 HydrophobicContact CB-CB 3.95Å; A65-Y192 HydrophobicContact CB-CD1 3.59Å; A65-Y192 HydrophobicContact CB-CE1 3.76Å; A65-Y192 HydrophobicContact CB-CG 4.38Å
66G97.1Very high96Very high0 Ų013.7 Ų13.70%08%0.082CC..  trans107.4-8.6-178.700000114.4N68 D69 C70 E118 Y192G66-N68 PolarHBondContact O-N 3.08Å; G66-D69 PolarHBondContact O-N 3.41Å; G66-C70 PolarHBondContact O-N 2.91Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 3.2Å; G66-E118 PolarHBondContact N-OE1 3.06Å; G66-Y192 WeakPolarHBondContact CA-OH 3.27Å
67L97.5Very high95.9Very high9 Ų914.1 Ų14.15%0.0478%0.084CC..Hα-helixtrans-61.3-45.9-176.5176.662000112F64 D69 C70 L71 E118 M129 V485F64-L67 HydrophobicContact CE1-CB 4Å; F64-L67 HydrophobicContact CE1-CD2 4.33Å; F64-L67 HydrophobicContact CZ-CB 4.07Å; L67-D69 VanDerWaalsContact C-N 3.27Å; L67-D69 PolarHBondContact O-N 2.88Å; L67-C70 WeakPolarHBondContact O-CB 3.16Å; L67-C70 PolarHBondContact O-N 3.38Å; L67-C70 VanDerWaalsContact O-N 3.12Å; L67-L71 HydrophobicContact CD1-CD1 4.15Å; L67-L71 HydrophobicContact CD1-CD2 4.34Å; L67-L71 HydrophobicContact CD1-CG 4.03Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.28Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.24Å; L67-E118 HydrophobicContact CB-CB 4.09Å; L67-E118 HydrophobicContact CB-CG 4.26Å; L67-E118 HydrophobicContact CD2-CB 4.45Å; L67-M129 HydrophobicContact CD1-CE 3.68Å; L67-V485 HydrophobicContact CD1-CG2 4.13Å; L67-V485 HydrophobicContact CD2-CG1 4.32Å
68N94.7Very high95.8Very high9 Ų919.3 Ų19.35%0.04810%0.103CC..Hα-helixtrans-52.7-45.7176.6-88.8-11.2000112.3G66 L71 L72 E118 R191 L495 C496G66-N68 PolarHBondContact O-N 3.08Å; N68-L71 PolarHBondContact O-N 3.24Å; N68-L72 WeakPolarHBondContact O-CG 3.14Å; N68-L72 PolarHBondContact O-N 3.06Å; N68-E118 WeakPolarHBondContact CB-OE2 3.49Å; N68-E118 PolarHBondContact N-OE2 3.2Å; N68-R191 PolarHBondContact ND2-NH2 3.03Å; N68-L495 WeakPolarHBondContact OD1-CD2 3.46Å; N68-C496 PolarHBondContact ND2-O 3.45Å
69D94.9Very high96Very high3 Ų317.3 Ų17.32%0.0168%0.079CC..Hα-helixtrans-69.4-36.1-179.6-63.2-31.2000111.4V16 G66 L67 L71 L72 F73 L148 R191 Y192V16-D69 HydrophobicContact CG2-CB 4.44Å; G66-D69 PolarHBondContact O-N 3.41Å; L67-D69 VanDerWaalsContact C-N 3.27Å; L67-D69 PolarHBondContact O-N 2.88Å; D69-L71 PolarHBondContact O-N 2.8Å; D69-L72 PolarHBondContact O-N 2.94Å; D69-F73 WeakPolarHBondContact O-CB 3.37Å; D69-F73 PolarHBondContact O-N 3.5Å; D69-L148 HydrophobicContact CB-CD1 4.42Å; D69-L148 HydrophobicContact CB-CD2 3.71Å; D69-R191 IonicContact OD1-CZ 3.12Å; D69-R191 IonicContact OD1-NH1 3.07Å; D69-R191 PolarHBondContact OD1-NH1 3.23Å; D69-R191 IonicContact OD2-NH1 3.03Å; D69-R191 PolarHBondContact OD2-NH1 3.4Å; D69-Y192 PolarHBondContact OD2-OH 2.86Å
70C97.1Very high96Very high1 Ų119.4 Ų19.41%0.0079%0.09CC..Hα-helixtrans-59.9-44.5172.8-67.50000111.9G66 L67 L72 F73 L74 M129 L145 L148G66-C70 PolarHBondContact O-N 2.91Å; G66-C70 VanDerWaalsContact O-N 3.07Å; G66-C70 PolarHBondContact O-SG 3.2Å; L67-C70 WeakPolarHBondContact O-CB 3.16Å; L67-C70 PolarHBondContact O-N 3.38Å; L67-C70 VanDerWaalsContact O-N 3.12Å; C70-L72 PolarHBondContact O-N 3.33Å; C70-F73 WeakPolarHBondContact O-CB 3.44Å; C70-F73 PolarHBondContact O-N 2.99Å; C70-L74 VanDerWaalsContact O-CG 3.24Å; C70-L74 WeakPolarHBondContact O-CG 3.24Å; C70-L74 PolarHBondContact O-N 2.95Å; C70-M129 HydrophobicContact CB-CE 4.27Å; C70-L145 HydrophobicContact CB-CD2 3.68Å; C70-L148 HydrophobicContact CB-CD1 4.45Å
71L96.5Very high96.1Very high6 Ų624.7 Ų24.73%0.03112%0.117CC..Hα-helixtrans-65-40.8-178.8-66.3171.1000111.8L67 N68 D69 L74 R75 V485 F486 V491 L495L67-L71 HydrophobicContact CD1-CD1 4.15Å; L67-L71 HydrophobicContact CD1-CD2 4.34Å; L67-L71 HydrophobicContact CD1-CG 4.03Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.28Å; L67-L71 WeakPolarHBondContact O-CG 3.46Å; L67-L71 PolarHBondContact O-N 3.24Å; N68-L71 PolarHBondContact O-N 3.24Å; D69-L71 PolarHBondContact O-N 2.8Å; L71-L74 PolarHBondContact O-N 2.91Å; L71-R75 WeakPolarHBondContact O-CB 3.47Å; L71-R75 PolarHBondContact O-N 2.87Å; L71-V485 HydrophobicContact CD1-CB 4.5Å; L71-V485 HydrophobicContact CD2-CB 4.32Å; L71-V485 HydrophobicContact CD2-CG2 4.1Å; L71-F486 HydrophobicContact CD2-CB 3.78Å; L71-F486 HydrophobicContact CD2-CD2 4.17Å; L71-F486 HydrophobicContact CD2-CG 4.39Å; L71-V491 HydrophobicContact CB-CG2 4.01Å; L71-V491 HydrophobicContact CD1-CG1 3.97Å; L71-L495 HydrophobicContact CB-CD2 4.14Å; L71-L495 HydrophobicContact CD1-CD2 3.72Å
72L93.9Very high96.1Very high3 Ų331.5 Ų31.52%0.01615%0.149CC..Hα-helixtrans-66.7-38.7175-65.8-176.1000112.6M12 E13 V16 N68 D69 C70 S76 L495M12-L72 HydrophobicContact CB-CD1 3.96Å; E13-L72 HydrophobicContact CG-CB 4.47Å; E13-L72 HydrophobicContact CG-CD1 4.42Å; E13-L72 HydrophobicContact CG-CD2 3.45Å; E13-L72 VanDerWaalsContact CG-CD2 3.45Å; E13-L72 HydrophobicContact CG-CG 4.3Å; V16-L72 HydrophobicContact CB-CB 4.12Å; V16-L72 HydrophobicContact CG1-CB 4.11Å; V16-L72 HydrophobicContact CG2-CB 4.11Å; V16-L72 HydrophobicContact CG2-CD1 3.89Å; N68-L72 WeakPolarHBondContact O-CG 3.14Å; N68-L72 PolarHBondContact O-N 3.06Å; D69-L72 PolarHBondContact O-N 2.94Å; C70-L72 PolarHBondContact O-N 3.33Å; L72-S76 PolarHBondContact O-N 3.02Å; L72-S76 PolarHBondContact O-OG 2.76Å; L72-L495 HydrophobicContact CD1-CD1 4.12Å; L72-L495 HydrophobicContact CD2-CD1 3.25Å; L72-L495 HydrophobicContact CG-CD1 3.7Å
73F95.6Very high96.1Very high1 Ų132.8 Ų32.80%0.00416%0.156CC..Hα-helixtrans-60.6-49.3173.2167.2-107.5000111.5V16 V20 D69 C70 R75 S76 F77 L141 S144 L145 L148V16-F73 HydrophobicContact CG1-CB 4.13Å; V20-F73 HydrophobicContact CB-CD2 4.26Å; V20-F73 HydrophobicContact CG1-CD2 3.72Å; V20-F73 HydrophobicContact CG1-CE2 3.89Å; V20-F73 HydrophobicContact CG1-CG 4.32Å; V20-F73 WeakPolarHBondContact O-CD2 3.42Å; V20-F73 WeakPolarHBondContact O-CE2 3.36Å; D69-F73 WeakPolarHBondContact O-CB 3.37Å; D69-F73 PolarHBondContact O-N 3.5Å; C70-F73 WeakPolarHBondContact O-CB 3.44Å; C70-F73 PolarHBondContact O-N 2.99Å; F73-R75 VanDerWaalsContact C-N 3.34Å; F73-R75 PolarHBondContact O-N 2.85Å; F73-S76 CarbonylContact O-C 3.57Å; F73-S76 PolarHBondContact O-N 2.97Å; F73-S76 VanDerWaalsContact O-N 3.14Å; F73-S76 PolarHBondContact O-OG 2.99Å; F73-F77 HydrophobicContact CE1-CD2 4.03Å; F73-F77 AromaticContact CE2-CD2 3.87Å; F73-F77 HydrophobicContact CE2-CD2 3.87Å; F73-F77 HydrophobicContact CE2-CE2 4.45Å; F73-F77 AromaticContact CZ-CD2 3.45Å; F73-F77 HydrophobicContact CZ-CD2 3.45Å; F73-F77 VanDerWaalsContact CZ-CD2 3.45Å; F73-F77 AromaticContact CZ-CE2 3.83Å; F73-F77 HydrophobicContact CZ-CE2 3.83Å; F73-F77 PolarHBondContact O-N 2.93Å; F73-L141 HydrophobicContact CE1-CD2 3.85Å; F73-L141 HydrophobicContact CZ-CD2 4.42Å; F73-S144 VanDerWaalsContact CZ-CB 3.44Å; F73-L145 HydrophobicContact CD1-CD2 4.4Å; F73-L148 HydrophobicContact CB-CD1 4.12Å; F73-L148 HydrophobicContact CG-CD1 4.46Å
74L96.1Very high96.1Very high5 Ų532.8 Ų32.83%0.02616%0.156CC..Hα-helixtrans-61.6-40.7179.9-67.6169.4000112.5C70 L71 S76 F77 C108 I113 L141 F486C70-L74 VanDerWaalsContact O-CG 3.24Å; C70-L74 WeakPolarHBondContact O-CG 3.24Å; C70-L74 PolarHBondContact O-N 2.95Å; L71-L74 PolarHBondContact O-N 2.91Å; L74-S76 PolarHBondContact O-N 2.74Å; L74-F77 PolarHBondContact O-N 2.86Å; L74-C108 HydrophobicContact CB-CB 4.32Å; L74-C108 HydrophobicContact CD2-CB 4.22Å; L74-C108 VanDerWaalsContact CD2-SG 3.59Å; L74-I113 HydrophobicContact CD1-CD1 3.82Å; L74-I113 HydrophobicContact CD1-CG1 3.51Å; L74-L141 HydrophobicContact CD2-CD1 3.6Å; L74-L141 HydrophobicContact CD2-CD2 3.84Å; L74-L141 HydrophobicContact CD2-CG 4.31Å; L74-F486 HydrophobicContact CB-CD2 4.38Å; L74-F486 HydrophobicContact CB-CE1 4.27Å; L74-F486 HydrophobicContact CB-CE2 3.86Å; L74-F486 HydrophobicContact CB-CZ 3.78Å; L74-F486 HydrophobicContact CD1-CD1 4.43Å; L74-F486 HydrophobicContact CD1-CG 4.36Å
75R93.1Very high96Very high127 Ų12737.7 Ų37.748%0.47918%0.179SC..Hα-helixtrans-62.2-31.4177.4-170-177.8177.6-177.52112.6E13 L71 F73E13-R75 VanDerWaalsContact OE1-CD 3.31Å; E13-R75 WeakPolarHBondContact OE1-CD 3.44Å; E13-R75 IonicContact OE1-CZ 2.62Å; E13-R75 IonicContact OE1-NE 3.34Å; E13-R75 IonicContact OE1-NH1 3.91Å; E13-R75 PolarHBondContact OE1-NH1 2.88Å; E13-R75 IonicContact OE2-NH1 2.74Å; L71-R75 WeakPolarHBondContact O-CB 3.47Å; L71-R75 PolarHBondContact O-N 2.87Å; F73-R75 VanDerWaalsContact C-N 3.34Å; F73-R75 PolarHBondContact O-N 2.85Å
76S90.8Very high96Very high27 Ų2742.8 Ų42.819%0.18920%0.201CC..Hα-helixtrans-105.43.1-175.961.60000114.3L72 F73 L74 R78L72-S76 PolarHBondContact O-N 3.02Å; L72-S76 PolarHBondContact O-OG 2.76Å; F73-S76 CarbonylContact O-C 3.57Å; F73-S76 PolarHBondContact O-N 2.97Å; F73-S76 VanDerWaalsContact O-N 3.14Å; F73-S76 PolarHBondContact O-OG 2.99Å; L74-S76 PolarHBondContact O-N 2.74Å; S76-R78 PolarHBondContact O-N 2.74Å
77F94.9Very high96.1Very high9 Ų943 Ų434%0.03920%0.202CC..  trans-64.8106.4-176.6-174.7-88.4000111.3P22 F73 L74 L141P22-F77 HydrophobicContact CB-CD2 4.03Å; P22-F77 HydrophobicContact CB-CE2 3.63Å; P22-F77 HydrophobicContact CB-CZ 4.08Å; P22-F77 HydrophobicContact CG-CD2 3.96Å; P22-F77 HydrophobicContact CG-CE2 4.09Å; P22-F77 HydrophobicContact CG-CG 4.49Å; F73-F77 HydrophobicContact CE1-CD2 4.03Å; F73-F77 AromaticContact CE2-CD2 3.87Å; F73-F77 HydrophobicContact CE2-CD2 3.87Å; F73-F77 HydrophobicContact CE2-CE2 4.45Å; F73-F77 AromaticContact CZ-CD2 3.45Å; F73-F77 HydrophobicContact CZ-CD2 3.45Å; F73-F77 VanDerWaalsContact CZ-CD2 3.45Å; F73-F77 AromaticContact CZ-CE2 3.83Å; F73-F77 HydrophobicContact CZ-CE2 3.83Å; F73-F77 PolarHBondContact O-N 2.93Å; L74-F77 PolarHBondContact O-N 2.86Å; F77-L141 HydrophobicContact CD2-CD2 3.98Å; F77-L141 HydrophobicContact CE2-CD2 3.96Å; F77-L141 HydrophobicContact CG-CD2 4.43Å; F77-L141 HydrophobicContact CZ-CD2 4.41Å
78R94.2Very high96.1Very high116 Ų11647.2 Ų47.244%0.43822%0.217SC..  trans-152.2128.7175.1-68.3-63.9-175.7-175.6-6.6109.8P22 S76 L106 D107P22-R78 WeakPolarHBondContact CG-O 3.43Å; S76-R78 PolarHBondContact O-N 2.74Å; R78-L106 WeakPolarHBondContact CD-O 3.1Å; R78-L106 PolarHBondContact NH1-O 2.67Å; R78-D107 IonicContact CZ-OD2 3.07Å; R78-D107 VanDerWaalsContact NH1-CG 3.28Å; R78-D107 IonicContact NH1-OD2 2.86Å; R78-D107 PolarHBondContact NH1-OD2 3.45Å; R78-D107 IonicContact NH2-OD2 2.67Å; R78-D107 PolarHBondContact NH2-OD2 3.05Å
79L96.4Very high96.2Very high14 Ų1451 Ų517%0.07324%0.244CC..  trans-74.9130.4168.4-70.5164.9000109.3P22 L23 F30 D83 V84 L87 L103P22-L79 HydrophobicContact CB-CD2 3.82Å; P22-L79 HydrophobicContact CB-CG 4.34Å; L23-L79 HydrophobicContact CD2-CD2 4.07Å; F30-L79 HydrophobicContact CE1-CD1 4.21Å; F30-L79 HydrophobicContact CZ-CD2 4.39Å; L79-D83 HydrophobicContact CB-CB 4.4Å; L79-D83 HydrophobicContact CD2-CB 3.84Å; L79-V84 HydrophobicContact CB-CG2 3.96Å; L79-L87 HydrophobicContact CD1-CD1 4.45Å; L79-L87 HydrophobicContact CD2-CD1 4.41Å; L79-L103 HydrophobicContact CD1-CB 3.97Å; L79-L103 HydrophobicContact CD1-CD2 4.18Å
80T96.3Very high96.3Very high56 Ų5653.5 Ų53.534%0.34426%0.26SS..  trans-78.7163.8172.568.60000110.8Q82 D83 V84T80-Q82 PolarHBondContact O-N 2.93Å; T80-D83 WeakPolarHBondContact CB-OD2 3.4Å; T80-D83 PolarHBondContact N-OD2 2.73Å; T80-D83 WeakPolarHBondContact O-CB 3.35Å; T80-D83 PolarHBondContact O-N 2.82Å; T80-D83 VanDerWaalsContact O-N 3.1Å; T80-D83 PolarHBondContact OG1-N 2.73Å; T80-D83 VanDerWaalsContact OG1-N 3.16Å; T80-D83 PolarHBondContact OG1-OD1 2.76Å; T80-D83 PolarHBondContact OG1-OD2 2.94Å; T80-V84 PolarHBondContact O-N 3.11Å
81D97.5Very high96.3Very high116 Ų11653.8 Ų53.862%0.6226%0.261SS*.Hα-helixtrans-59-33.3173.9-73.7-45.8000112.5Q85 R104D81-Q85 VanDerWaalsContact O-CB 3.29Å; D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 PolarHBondContact O-N 3.42Å; D81-R104 IonicContact OD1-NE 3.62Å; D81-R104 PolarHBondContact OD1-NE 3.31Å
82Q97.9Very high96.3Very high159 Ų15956.4 Ų56.474%0.74328%0.278SS*.Hα-helixtrans-66.6-42.3175.4-173.6175.40.800111.4T80 Q85 F86T80-Q82 PolarHBondContact O-N 2.93Å; Q82-Q85 PolarHBondContact O-N 2.66Å; Q82-F86 WeakPolarHBondContact O-CB 3.36Å; Q82-F86 PolarHBondContact O-N 2.89Å
83D97.6Very high96.2Very high27 Ų2763 Ų6314%0.14432%0.322CS..Hα-helixtrans-61.1-47.2176.3-58-39.9000110.8L23 L79 T80 Q85 F86 L87L23-D83 HydrophobicContact CD1-CB 3.85Å; L23-D83 WeakPolarHBondContact CD1-OD1 3.26Å; L23-D83 HydrophobicContact CD2-CB 4.19Å; L23-D83 HydrophobicContact CG-CB 3.98Å; L79-D83 HydrophobicContact CB-CB 4.4Å; L79-D83 HydrophobicContact CD2-CB 3.84Å; T80-D83 WeakPolarHBondContact CB-OD2 3.4Å; T80-D83 PolarHBondContact N-OD2 2.73Å; T80-D83 WeakPolarHBondContact O-CB 3.35Å; T80-D83 PolarHBondContact O-N 2.82Å; T80-D83 VanDerWaalsContact O-N 3.1Å; T80-D83 PolarHBondContact OG1-N 2.73Å; T80-D83 VanDerWaalsContact OG1-N 3.16Å; T80-D83 PolarHBondContact OG1-OD1 2.76Å; T80-D83 PolarHBondContact OG1-OD2 2.94Å; D83-Q85 PolarHBondContact O-N 3.04Å; D83-F86 WeakPolarHBondContact O-CB 3.42Å; D83-F86 PolarHBondContact O-N 3.44Å; D83-L87 VanDerWaalsContact O-CG 3.32Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.99Å
84V98.1Very high96.1Very high0 Ų069.4 Ų69.40%036%0.356CS..Hα-helixtrans-65.7-38.6-180177.20000111.5L79 T80 L87 R88 F100 L103 R104L79-V84 HydrophobicContact CB-CG2 3.96Å; T80-V84 PolarHBondContact O-N 3.11Å; V84-L87 PolarHBondContact O-N 3.39Å; V84-R88 PolarHBondContact O-N 3.17Å; V84-F100 HydrophobicContact CG1-CB 3.74Å; V84-F100 HydrophobicContact CG1-CD1 4.01Å; V84-F100 HydrophobicContact CG1-CG 4.32Å; V84-L103 HydrophobicContact CG2-CB 4.18Å; V84-R104 HydrophobicContact CB-CG 4.33Å; V84-R104 HydrophobicContact CG1-CG 4.18Å; V84-R104 HydrophobicContact CG2-CG 3.86Å
85Q97.9Very high96.2Very high102 Ų10269.6 Ų69.648%0.47736%0.357SS..Hα-helixtrans-66.4-38.8175.6-177.359.522.700111.8D81 Q82 D83 R88 S89D81-Q85 VanDerWaalsContact O-CB 3.29Å; D81-Q85 WeakPolarHBondContact O-CB 3.47Å; D81-Q85 PolarHBondContact O-N 3.42Å; Q82-Q85 PolarHBondContact O-N 2.66Å; D83-Q85 PolarHBondContact O-N 3.04Å; Q85-R88 WeakPolarHBondContact O-CB 3.49Å; Q85-R88 PolarHBondContact O-N 3.33Å; Q85-S89 PolarHBondContact O-N 2.82Å
86F98.3Very high96.4Very high109 Ų10965.7 Ų65.748%0.47835%0.346SS..Hα-helixtrans-62.2-48.2171.7170.4-107.8000111.1L23 Q82 D83 R88 S89 V90L23-F86 HydrophobicContact CD1-CD1 4.13Å; Q82-F86 WeakPolarHBondContact O-CB 3.36Å; Q82-F86 PolarHBondContact O-N 2.89Å; D83-F86 WeakPolarHBondContact O-CB 3.42Å; D83-F86 PolarHBondContact O-N 3.44Å; F86-R88 PolarHBondContact O-N 3.32Å; F86-S89 WeakPolarHBondContact O-CA 3.39Å; F86-S89 WeakPolarHBondContact O-CB 3.45Å; F86-S89 PolarHBondContact O-N 3.49Å; F86-S89 PolarHBondContact O-OG 3Å; F86-V90 HydrophobicContact CD2-CG1 4.33Å; F86-V90 HydrophobicContact CE1-CG1 4.45Å; F86-V90 HydrophobicContact CE1-CG2 4.27Å; F86-V90 HydrophobicContact CE2-CG1 3.68Å; F86-V90 HydrophobicContact CZ-CG1 3.76Å; F86-V90 HydrophobicContact CZ-CG2 4.37Å; F86-V90 PolarHBondContact O-N 3.38Å
87L98.3Very high96.7Very high3 Ų368.8 Ų68.82%0.01637%0.365CS..Hα-helixtrans-57.1-38.4177.4-71.3171.4000112.3L23 F30 L79 D83 V84 S89 V90 L91 F100 L103L23-L87 HydrophobicContact CD2-CD1 4.09Å; L23-L87 HydrophobicContact CD2-CD2 4.13Å; L23-L87 HydrophobicContact CD2-CG 4.12Å; F30-L87 HydrophobicContact CB-CD2 4.45Å; F30-L87 HydrophobicContact CD1-CD1 3.85Å; F30-L87 HydrophobicContact CD1-CD2 4.21Å; F30-L87 HydrophobicContact CD2-CD1 4.44Å; F30-L87 HydrophobicContact CD2-CD2 3.48Å; F30-L87 VanDerWaalsContact CD2-CD2 3.48Å; F30-L87 HydrophobicContact CE1-CD1 3.54Å; F30-L87 HydrophobicContact CE1-CD2 4.35Å; F30-L87 HydrophobicContact CE2-CD1 4.15Å; F30-L87 HydrophobicContact CE2-CD2 3.63Å; F30-L87 HydrophobicContact CG-CD1 4.3Å; F30-L87 HydrophobicContact CG-CD2 3.79Å; F30-L87 HydrophobicContact CZ-CD1 3.7Å; F30-L87 HydrophobicContact CZ-CD2 4.08Å; L79-L87 HydrophobicContact CD1-CD1 4.45Å; L79-L87 HydrophobicContact CD2-CD1 4.41Å; D83-L87 VanDerWaalsContact O-CG 3.32Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.99Å; V84-L87 PolarHBondContact O-N 3.39Å; L87-S89 PolarHBondContact O-N 2.78Å; L87-V90 PolarHBondContact O-N 2.96Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.19Å; L87-F100 HydrophobicContact CB-CE1 4.5Å; L87-L103 HydrophobicContact CD1-CD1 3.85Å
88R97.6Very high96.9Very high99 Ų9970.2 Ų70.237%0.37438%0.378SS..Hα-helixtrans-60.8-31.5173.9-173.8-177.8-70.5164.1-17.1113.2V84 Q85 F86 F100V84-R88 PolarHBondContact O-N 3.17Å; Q85-R88 WeakPolarHBondContact O-CB 3.49Å; Q85-R88 PolarHBondContact O-N 3.33Å; F86-R88 PolarHBondContact O-N 3.32Å; R88-F100 HydrophobicContact CB-CD1 4.01Å; R88-F100 HydrophobicContact CB-CE1 3.63Å; R88-F100 HydrophobicContact CB-CE2 4.36Å; R88-F100 HydrophobicContact CB-CZ 3.83Å; R88-F100 HydrophobicContact CG-CD2 4.44Å; R88-F100 HydrophobicContact CG-CE1 4.2Å; R88-F100 HydrophobicContact CG-CE2 4.02Å; R88-F100 HydrophobicContact CG-CZ 3.9Å
89S97.4Very high97.1Very high87 Ų8764.7 Ų64.761%0.60836%0.358SS*.Hα-helixtrans-78.6-24.5179.176.40000114Q85 F86 L87Q85-S89 PolarHBondContact O-N 2.82Å; F86-S89 WeakPolarHBondContact O-CA 3.39Å; F86-S89 WeakPolarHBondContact O-CB 3.45Å; F86-S89 PolarHBondContact O-N 3.49Å; F86-S89 PolarHBondContact O-OG 3Å; L87-S89 PolarHBondContact O-N 2.78Å
90V97.6Very high97.2Very high57 Ų5764.3 Ų64.335%0.34536%0.355SS..Hα-helixtrans-108.1-20-174.4-61.10000114.2L27 F86 L87L27-V90 HydrophobicContact CD1-CB 4.48Å; L27-V90 HydrophobicContact CD1-CG2 3.87Å; F86-V90 HydrophobicContact CD2-CG1 4.33Å; F86-V90 HydrophobicContact CE1-CG1 4.45Å; F86-V90 HydrophobicContact CE1-CG2 4.27Å; F86-V90 HydrophobicContact CE2-CG1 3.68Å; F86-V90 HydrophobicContact CZ-CG1 3.76Å; F86-V90 HydrophobicContact CZ-CG2 4.37Å; F86-V90 PolarHBondContact O-N 3.38Å; L87-V90 PolarHBondContact O-N 2.96Å
91L97.3Very high97.2Very high6 Ų666.4 Ų66.43%0.03136%0.364CS..SBendtrans-74.1157.4171.6-73177.9000111.1L27 F30 T31 L87 T95 F99 F100L27-L91 HydrophobicContact CD1-CD2 4.02Å; F30-L91 HydrophobicContact CB-CD2 4.21Å; T31-L91 HydrophobicContact CG2-CD2 3.67Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.19Å; L91-T95 HydrophobicContact CD1-CG2 4.36Å; L91-F99 HydrophobicContact CD1-CD1 4.31Å; L91-F99 HydrophobicContact CD1-CE1 3.92Å; L91-F100 HydrophobicContact CD1-CE1 3.92Å; L91-F100 HydrophobicContact CD1-CZ 4.22Å
92P95.2Very high97.2Very high61 Ų6162.4 Ų62.440%0.39634%0.342SS..  trans-49.5138.3178.4-30.337000112.8N94 T95P92-N94 VanDerWaalsContact CB-OD1 3.25Å; P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 PolarHBondContact O-N 3.26Å; P92-T95 VanDerWaalsContact O-CB 3.23Å; P92-T95 WeakPolarHBondContact O-CB 3.5Å; P92-T95 PolarHBondContact O-N 2.93Å; P92-T95 PolarHBondContact O-OG1 3.37Å
93P92.4Very high97.2Very high143 Ų14354.9 Ų54.993%0.92931%0.306SS*.THydrogen-bonded Turntrans-59.6-21.2-176.5-26.634.1000115T95P93-T95 VanDerWaalsContact C-N 3.34Å
94N93.5Very high97.2Very high135 Ų13557.5 Ų57.572%0.72231%0.314SS*.THydrogen-bonded Turntrans-91.410.5176.466.2-19.8000113.4P92 D96P92-N94 VanDerWaalsContact CB-OD1 3.25Å; P92-N94 WeakPolarHBondContact CB-OD1 3.46Å; P92-N94 PolarHBondContact O-N 3.26Å; N94-D96 PolarHBondContact O-N 3.49Å
95T97.5Very high97.1Very high9 Ų960 Ų606%0.05534%0.341CS..SBendtrans-62.6126.5170.6-70.30000109.6Y34 L91 P92 P93 P97 F99 F100Y34-T95 HydrophobicContact CD1-CG2 4.47Å; Y34-T95 HydrophobicContact CD2-CG2 3.84Å; Y34-T95 HydrophobicContact CE1-CG2 4.35Å; Y34-T95 HydrophobicContact CE2-CG2 3.71Å; Y34-T95 HydrophobicContact CG-CG2 4.22Å; Y34-T95 WeakPolarHBondContact OH-CA 3.43Å; L91-T95 HydrophobicContact CD1-CG2 4.36Å; P92-T95 VanDerWaalsContact O-CB 3.23Å; P92-T95 WeakPolarHBondContact O-CB 3.5Å; P92-T95 PolarHBondContact O-N 2.93Å; P92-T95 PolarHBondContact O-OG1 3.37Å; P93-T95 VanDerWaalsContact C-N 3.34Å; T95-P97 WeakPolarHBondContact O-CD 3.43Å; T95-F99 HydrophobicContact CG2-CB 4.39Å; T95-F99 HydrophobicContact CG2-CD1 3.97Å; T95-F100 HydrophobicContact CG2-CE2 3.75Å; T95-F100 HydrophobicContact CG2-CZ 3.64Å
96D98Very high97Very high45 Ų4555.6 Ų55.624%0.24132%0.32CS..  trans-54.6122.8-179.9-166-40.9000111.2Y34 W37 R38 N94 A98 F99Y34-D96 HydrophobicContact CE2-CB 3.95Å; Y34-D96 PolarHBondContact OH-N 2.72Å; W37-D96 HydrophobicContact CH2-CB 4.44Å; W37-D96 HydrophobicContact CZ3-CB 3.88Å; R38-D96 IonicContact NH1-OD2 3.02Å; R38-D96 PolarHBondContact NH1-OD2 3.16Å; N94-D96 PolarHBondContact O-N 3.49Å; D96-A98 PolarHBondContact O-N 3.04Å; D96-A98 VanDerWaalsContact O-N 3.11Å; D96-A98 WeakPolarHBondContact OD1-CB 3.41Å; D96-A98 PolarHBondContact OD1-N 3.1Å; D96-F99 VanDerWaalsContact O-CB 3.28Å; D96-F99 WeakPolarHBondContact O-CB 3.41Å; D96-F99 PolarHBondContact O-N 2.95Å
97P97.3Very high96.9Very high91 Ų9152.2 Ų52.259%0.59131%0.307SS*.Hα-helixtrans-53.6-31.9-179.9-29.436.7000114.3T95 F99 F100T95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-F99 PolarHBondContact O-N 3.47Å; P97-F100 WeakPolarHBondContact O-CD2 3.5Å; P97-F100 PolarHBondContact O-N 3.38Å; P97-F100 VanDerWaalsContact O-N 3.13Å
98A98Very high96.8Very high39 Ų3952.2 Ų52.232%0.32231%0.307SS..Hα-helixtrans-67.4-21.2179.700000113.1W37 D96 F100 D101 F102W37-A98 HydrophobicContact CH2-CB 3.87Å; W37-A98 HydrophobicContact CZ2-CB 4.08Å; D96-A98 PolarHBondContact O-N 3.04Å; D96-A98 VanDerWaalsContact O-N 3.11Å; D96-A98 WeakPolarHBondContact OD1-CB 3.41Å; D96-A98 PolarHBondContact OD1-N 3.1Å; A98-F100 PolarHBondContact O-N 3.05Å; A98-D101 PolarHBondContact O-N 3.47Å; A98-F102 PolarHBondContact O-N 2.94Å; A98-F102 VanDerWaalsContact O-N 3.1Å
99F98.4Very high96.7Very high0 Ų050.3 Ų50.30%031%0.309CS..Hα-helixtrans-63-33.7172.8177.4-115.5000111.7A33 Y34 W37 L91 T95 D96 P97 D101 F102 L103A33-F99 HydrophobicContact CB-CE2 4.46Å; A33-F99 HydrophobicContact CB-CZ 4.13Å; Y34-F99 HydrophobicContact CD2-CB 3.83Å; Y34-F99 AromaticContact CD2-CD1 3.79Å; Y34-F99 HydrophobicContact CD2-CD1 3.79Å; Y34-F99 AromaticContact CD2-CD2 3.96Å; Y34-F99 HydrophobicContact CD2-CD2 3.96Å; Y34-F99 HydrophobicContact CD2-CE1 4.32Å; Y34-F99 HydrophobicContact CD2-CE2 4.47Å; Y34-F99 AromaticContact CD2-CG 3.58Å; Y34-F99 HydrophobicContact CD2-CG 3.58Å; Y34-F99 HydrophobicContact CE2-CB 4.11Å; Y34-F99 HydrophobicContact CE2-CG 4.35Å; Y34-F99 HydrophobicContact CG-CD1 4.32Å; Y34-F99 HydrophobicContact CG-CE1 4.45Å; Y34-F99 HydrophobicContact CG-CG 4.45Å; W37-F99 HydrophobicContact CB-CD2 3.78Å; W37-F99 HydrophobicContact CB-CE2 3.98Å; W37-F99 HydrophobicContact CD2-CB 4.41Å; W37-F99 HydrophobicContact CD2-CD2 4.07Å; W37-F99 HydrophobicContact CE3-CB 4.31Å; W37-F99 AromaticContact CG-CD2 3.71Å; W37-F99 HydrophobicContact CG-CD2 3.71Å; W37-F99 HydrophobicContact CG-CE2 4.31Å; L91-F99 HydrophobicContact CD1-CD1 4.31Å; L91-F99 HydrophobicContact CD1-CE1 3.92Å; T95-F99 HydrophobicContact CG2-CB 4.39Å; T95-F99 HydrophobicContact CG2-CD1 3.97Å; D96-F99 VanDerWaalsContact O-CB 3.28Å; D96-F99 WeakPolarHBondContact O-CB 3.41Å; D96-F99 PolarHBondContact O-N 2.95Å; P97-F99 PolarHBondContact O-N 3.47Å; F99-D101 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.42Å; F99-F102 AromaticContact CD2-CD1 3.81Å; F99-F102 HydrophobicContact CD2-CD1 3.81Å; F99-F102 AromaticContact CE2-CD1 3.71Å; F99-F102 HydrophobicContact CE2-CD1 3.71Å; F99-F102 HydrophobicContact CE2-CE1 4.01Å; F99-F102 WeakPolarHBondContact O-CB 3.48Å; F99-F102 PolarHBondContact O-N 3.47Å; F99-L103 HydrophobicContact CD1-CD1 4.11Å; F99-L103 HydrophobicContact CD1-CG 4.3Å; F99-L103 HydrophobicContact CE1-CD1 3.66Å; F99-L103 HydrophobicContact CE1-CD2 4.13Å; F99-L103 HydrophobicContact CE1-CG 3.92Å; F99-L103 HydrophobicContact CE2-CD2 4.13Å; F99-L103 HydrophobicContact CE2-CG 4.35Å; F99-L103 HydrophobicContact CZ-CD1 4.12Å; F99-L103 HydrophobicContact CZ-CD2 3.7Å; F99-L103 HydrophobicContact CZ-CG 3.96Å; F99-L103 WeakPolarHBondContact O-CG 3.43Å; F99-L103 PolarHBondContact O-N 3.35Å
100F98.3Very high96.7Very high6 Ų648.9 Ų48.93%0.02630%0.303CS..Hα-helixtrans-71.2-29.3177.7-59.1-74.2000112.1V84 L87 R88 L91 T95 P97 A98 L103 R104V84-F100 HydrophobicContact CG1-CB 3.74Å; V84-F100 HydrophobicContact CG1-CD1 4.01Å; V84-F100 HydrophobicContact CG1-CG 4.32Å; L87-F100 HydrophobicContact CB-CE1 4.5Å; R88-F100 HydrophobicContact CB-CD1 4.01Å; R88-F100 HydrophobicContact CB-CE1 3.63Å; R88-F100 HydrophobicContact CB-CE2 4.36Å; R88-F100 HydrophobicContact CB-CZ 3.83Å; R88-F100 HydrophobicContact CG-CD2 4.44Å; R88-F100 HydrophobicContact CG-CE1 4.2Å; R88-F100 HydrophobicContact CG-CE2 4.02Å; R88-F100 HydrophobicContact CG-CZ 3.9Å; L91-F100 HydrophobicContact CD1-CE1 3.92Å; L91-F100 HydrophobicContact CD1-CZ 4.22Å; T95-F100 HydrophobicContact CG2-CE2 3.75Å; T95-F100 HydrophobicContact CG2-CZ 3.64Å; P97-F100 WeakPolarHBondContact O-CD2 3.5Å; P97-F100 PolarHBondContact O-N 3.38Å; P97-F100 VanDerWaalsContact O-N 3.13Å; A98-F100 PolarHBondContact O-N 3.05Å; F100-L103 HydrophobicContact CD1-CD1 4.26Å; F100-L103 PolarHBondContact O-N 2.81Å; F100-R104 VanDerWaalsContact C-NH1 3.35Å; F100-R104 WeakPolarHBondContact O-CG 3.5Å; F100-R104 PolarHBondContact O-N 2.88Å; F100-R104 VanDerWaalsContact O-N 3.12Å; F100-R104 PolarHBondContact O-NH1 3.38Å; F100-R104 VanDerWaalsContact O-NH1 3.16Å
101D97.4Very high96.8Very high100 Ų10046.2 Ų46.254%0.53529%0.287SS..Hα-helixtrans-70-39.7172.2-58-32.3000110.7A98 F99 L103 R104 G105A98-D101 PolarHBondContact O-N 3.47Å; F99-D101 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.42Å; D101-L103 PolarHBondContact O-N 2.95Å; D101-R104 PolarHBondContact O-N 3.14Å; D101-R104 IonicContact OD1-CZ 3.07Å; D101-R104 IonicContact OD1-NH1 2.94Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; D101-G105 PolarHBondContact O-N 3.48Å
102F97.6Very high96.8Very high33 Ų3346.9 Ų46.915%0.14529%0.291CS..Hα-helixtrans-56.8-47.4169.2166.9-102.5000111.7W37 H42 A98 F99 R104 G105 L106 A136W37-F102 AromaticContact CD1-CD1 3.75Å; W37-F102 AromaticContact CD1-CG 3.66Å; W37-F102 AromaticContact NE1-CG 3.76Å; H42-F102 HydrophobicContact CB-CZ 4.43Å; H42-F102 AromaticContact CD2-CE2 3.65Å; H42-F102 AromaticContact CD2-CZ 3.95Å; A98-F102 PolarHBondContact O-N 2.94Å; A98-F102 VanDerWaalsContact O-N 3.1Å; F99-F102 AromaticContact CD2-CD1 3.81Å; F99-F102 HydrophobicContact CD2-CD1 3.81Å; F99-F102 AromaticContact CE2-CD1 3.71Å; F99-F102 HydrophobicContact CE2-CD1 3.71Å; F99-F102 HydrophobicContact CE2-CE1 4.01Å; F99-F102 WeakPolarHBondContact O-CB 3.48Å; F99-F102 PolarHBondContact O-N 3.47Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.02Å; F102-G105 PolarHBondContact O-N 2.92Å; F102-G105 VanDerWaalsContact O-N 3.13Å; F102-L106 HydrophobicContact CD2-CD2 4.39Å; F102-L106 HydrophobicContact CE1-CD1 4.14Å; F102-L106 HydrophobicContact CE1-CD2 3.91Å; F102-L106 HydrophobicContact CE1-CG 4.29Å; F102-L106 HydrophobicContact CE2-CD2 3.74Å; F102-L106 HydrophobicContact CZ-CD2 3.49Å; F102-L106 VanDerWaalsContact CZ-CD2 3.49Å; F102-L106 HydrophobicContact CZ-CG 4.34Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.03Å; F102-A136 HydrophobicContact CZ-CB 4.26Å
103L98Very high97Very high0 Ų044 Ų440%027%0.272CS..Hα-helixtrans-59.7-39.4178.3-70.2-176.7000113.1F30 L79 V84 L87 F99 F100 D101 G105 L106F30-L103 HydrophobicContact CD1-CD1 4.43Å; F30-L103 HydrophobicContact CD1-CD2 4.25Å; F30-L103 HydrophobicContact CE1-CD2 4.34Å; L79-L103 HydrophobicContact CD1-CB 3.97Å; L79-L103 HydrophobicContact CD1-CD2 4.18Å; V84-L103 HydrophobicContact CG2-CB 4.18Å; L87-L103 HydrophobicContact CD1-CD1 3.85Å; F99-L103 HydrophobicContact CD1-CD1 4.11Å; F99-L103 HydrophobicContact CD1-CG 4.3Å; F99-L103 HydrophobicContact CE1-CD1 3.66Å; F99-L103 HydrophobicContact CE1-CD2 4.13Å; F99-L103 HydrophobicContact CE1-CG 3.92Å; F99-L103 HydrophobicContact CE2-CD2 4.13Å; F99-L103 HydrophobicContact CE2-CG 4.35Å; F99-L103 HydrophobicContact CZ-CD1 4.12Å; F99-L103 HydrophobicContact CZ-CD2 3.7Å; F99-L103 HydrophobicContact CZ-CG 3.96Å; F99-L103 WeakPolarHBondContact O-CG 3.43Å; F99-L103 PolarHBondContact O-N 3.35Å; F100-L103 HydrophobicContact CD1-CD1 4.26Å; F100-L103 PolarHBondContact O-N 2.81Å; D101-L103 PolarHBondContact O-N 2.95Å; L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 2.87Å; L103-L106 HydrophobicContact CD2-CD1 3.64Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.96Å
104R97.2Very high97.3Very high82 Ų8238.6 Ų38.631%0.30923%0.233SC..Hα-helixtrans-63.4-33.3176.5-72.2-174.6-164.387.9-6112.8D81 V84 F100 D101 F102 L106D81-R104 IonicContact OD1-NE 3.62Å; D81-R104 PolarHBondContact OD1-NE 3.31Å; V84-R104 HydrophobicContact CB-CG 4.33Å; V84-R104 HydrophobicContact CG1-CG 4.18Å; V84-R104 HydrophobicContact CG2-CG 3.86Å; F100-R104 VanDerWaalsContact C-NH1 3.35Å; F100-R104 WeakPolarHBondContact O-CG 3.5Å; F100-R104 PolarHBondContact O-N 2.88Å; F100-R104 VanDerWaalsContact O-N 3.12Å; F100-R104 PolarHBondContact O-NH1 3.38Å; F100-R104 VanDerWaalsContact O-NH1 3.16Å; D101-R104 PolarHBondContact O-N 3.14Å; D101-R104 IonicContact OD1-CZ 3.07Å; D101-R104 IonicContact OD1-NH1 2.94Å; D101-R104 PolarHBondContact OD1-NH1 3.13Å; F102-R104 VanDerWaalsContact C-N 3.34Å; F102-R104 PolarHBondContact O-N 3.02Å; R104-L106 VanDerWaalsContact C-N 3.31Å
105G95.6Very high97.5Very high54 Ų5432.1 Ų32.156%0.55720%0.199SC*.THydrogen-bonded Turntrans-81-5.8179.400000114.7D101 F102 L103D101-G105 PolarHBondContact O-N 3.48Å; F102-G105 PolarHBondContact O-N 2.92Å; F102-G105 VanDerWaalsContact O-N 3.13Å; L103-G105 VanDerWaalsContact C-N 3.27Å; L103-G105 PolarHBondContact O-N 2.87Å
106L95.6Very high97.5Very high9 Ų931.7 Ų31.75%0.04720%0.196CC..  trans-67.8141.8-173.6-74.5-177000113.5R78 F102 L103 R104 V137 L140R78-L106 WeakPolarHBondContact CD-O 3.1Å; R78-L106 PolarHBondContact NH1-O 2.67Å; F102-L106 HydrophobicContact CD2-CD2 4.39Å; F102-L106 HydrophobicContact CE1-CD1 4.14Å; F102-L106 HydrophobicContact CE1-CD2 3.91Å; F102-L106 HydrophobicContact CE1-CG 4.29Å; F102-L106 HydrophobicContact CE2-CD2 3.74Å; F102-L106 HydrophobicContact CZ-CD2 3.49Å; F102-L106 VanDerWaalsContact CZ-CD2 3.49Å; F102-L106 HydrophobicContact CZ-CG 4.34Å; F102-L106 WeakPolarHBondContact O-CG 3.3Å; F102-L106 PolarHBondContact O-N 3.03Å; L103-L106 HydrophobicContact CD2-CD1 3.64Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 2.96Å; R104-L106 VanDerWaalsContact C-N 3.31Å; L106-V137 HydrophobicContact CD2-CG2 3.86Å; L106-L140 HydrophobicContact CD1-CD1 3.73Å
107D95.9Very high97.4Very high37 Ų3731.3 Ų31.320%0.19820%0.196CC..  trans-154.9-175.7163.850.549.9000112.1R78 S109 V137R78-D107 IonicContact CZ-OD2 3.07Å; R78-D107 VanDerWaalsContact NH1-CG 3.28Å; R78-D107 IonicContact NH1-OD2 2.86Å; R78-D107 PolarHBondContact NH1-OD2 3.45Å; R78-D107 IonicContact NH2-OD2 2.67Å; R78-D107 PolarHBondContact NH2-OD2 3.05Å; D107-S109 WeakPolarHBondContact OD1-CB 3.33Å; D107-S109 PolarHBondContact OD1-N 3.05Å; D107-S109 PolarHBondContact OD1-OG 3.46Å; D107-V137 WeakPolarHBondContact O-CG1 3.34Å
108C97.3Very high97.4Very high3 Ų327.5 Ų27.52%0.0217%0.17CC..SBendtrans-96.916.6172.8-55.60000113.5L74 A110 V111 F486L74-C108 HydrophobicContact CB-CB 4.32Å; L74-C108 HydrophobicContact CD2-CB 4.22Å; L74-C108 VanDerWaalsContact CD2-SG 3.59Å; C108-A110 VanDerWaalsContact C-N 3.26Å; C108-A110 PolarHBondContact O-N 3.28Å; C108-V111 HydrophobicContact CB-CB 4.11Å; C108-V111 HydrophobicContact CB-CG2 4.03Å; C108-V111 WeakPolarHBondContact O-CB 3.46Å; C108-V111 PolarHBondContact O-N 3.26Å; C108-F486 HydrophobicContact CB-CE1 4.02Å; C108-F486 HydrophobicContact CB-CZ 4.13Å; C108-F486 WeakPolarHBondContact O-CE1 3.47Å
109S96.3Very high97.3Very high60 Ų6025.8 Ų25.842%0.4216%0.156SC..THydrogen-bonded Turntrans-61-35.4-178.363.70000112.8D107 V111 E488 G489D107-S109 WeakPolarHBondContact OD1-CB 3.33Å; D107-S109 PolarHBondContact OD1-N 3.05Å; D107-S109 PolarHBondContact OD1-OG 3.46Å; S109-V111 VanDerWaalsContact C-N 3.32Å; S109-E488 CarbonylContact O-C 3.35Å; S109-E488 VanDerWaalsContact O-CA 3.24Å; S109-E488 WeakPolarHBondContact O-CA 3.39Å; S109-G489 PolarHBondContact O-N 3.5Å
110A97.1Very high97.3Very high57 Ų5726.4 Ų26.447%0.47116%0.16SC..THydrogen-bonded Turntrans-89.3917700000113.9C108 P134C108-A110 VanDerWaalsContact C-N 3.26Å; C108-A110 PolarHBondContact O-N 3.28Å; A110-P134 HydrophobicContact CB-CG 3.83Å
111V98.4Very high97.3Very high1 Ų126.1 Ų26.11%0.00616%0.159CC..  trans-94.5136.9179.5177.40000109.9C108 S109 I113 V131 E132 V137 V138 L141 F486C108-V111 HydrophobicContact CB-CB 4.11Å; C108-V111 HydrophobicContact CB-CG2 4.03Å; C108-V111 WeakPolarHBondContact O-CB 3.46Å; C108-V111 PolarHBondContact O-N 3.26Å; S109-V111 VanDerWaalsContact C-N 3.32Å; V111-I113 HydrophobicContact CG1-CD1 3.86Å; V111-I113 HydrophobicContact CG1-CG1 4.31Å; V111-V131 HydrophobicContact CG1-CG1 4.03Å; V111-E132 CarbonylContact C-O 3.55Å; V111-E132 WeakPolarHBondContact CA-O 3.42Å; V111-V137 HydrophobicContact CG2-CG1 3.62Å; V111-V138 HydrophobicContact CG1-CG1 4.47Å; V111-V138 HydrophobicContact CG2-CG1 4.13Å; V111-L141 HydrophobicContact CG1-CD1 4.26Å; V111-L141 HydrophobicContact CG2-CD1 4.2Å; V111-F486 HydrophobicContact CB-CE1 4.41Å; V111-F486 WeakPolarHBondContact O-CD1 3.18Å
112T98.5Very high97.3Very high19 Ų1921.4 Ų21.412%0.11713%0.134CC..EExtended strand (participates in β ladder)trans-116.2131.9169.5-54.90000109.6R114 E132 F486 L487T112-R114 VanDerWaalsContact CG2-NH1 3.25Å; T112-E132 PolarHBondContact N-O 2.95Å; T112-E132 PolarHBondContact O-N 2.87Å; T112-F486 CarbonylContact C-O 3.54Å; T112-F486 VanDerWaalsContact CA-O 3.32Å; T112-F486 WeakPolarHBondContact CA-O 3.49Å; T112-L487 HydrophobicContact CG2-CD1 3.89Å
113I98.4Very high97.4Very high0 Ų020 Ų200%013%0.128CC..EExtended strand (participates in β ladder)trans-113.2126.4174-51.8-67.9000109.4L74 V111 M129 E130 V131 V485 F486L74-I113 HydrophobicContact CD1-CD1 3.82Å; L74-I113 HydrophobicContact CD1-CG1 3.51Å; V111-I113 HydrophobicContact CG1-CD1 3.86Å; V111-I113 HydrophobicContact CG1-CG1 4.31Å; I113-M129 HydrophobicContact CD1-SD 4.49Å; I113-M129 HydrophobicContact CG2-CE 4.37Å; I113-M129 HydrophobicContact CG2-CG 3.62Å; I113-M129 HydrophobicContact CG2-SD 3.92Å; I113-E130 WeakPolarHBondContact CA-O 3.17Å; I113-V131 HydrophobicContact CD1-CB 3.99Å; I113-V131 HydrophobicContact CD1-CG1 3.68Å; I113-V131 HydrophobicContact CD1-CG2 3.62Å; I113-V485 HydrophobicContact CB-CG2 3.9Å; I113-V485 HydrophobicContact CG2-CG2 3.59Å; I113-V485 WeakPolarHBondContact O-CG2 3.36Å; I113-V485 PolarHBondContact O-N 2.87Å; I113-F486 HydrophobicContact CB-CB 3.71Å; I113-F486 HydrophobicContact CG1-CB 3.68Å; I113-F486 HydrophobicContact CG1-CD1 4.21Å; I113-F486 HydrophobicContact CG1-CG 4.23Å; I113-F486 PolarHBondContact N-O 2.87Å; I113-F486 PolarHBondContact O-N 3.48Å
114R98Very high97.3Very high30 Ų3020.9 Ų20.911%0.11314%0.136CC..EExtended strand (participates in β ladder)trans-115.3123.7166.4-69.9177.4-166.8730.8109.5T112 M129 E130 E132 R482 K483 E484T112-R114 VanDerWaalsContact CG2-NH1 3.25Å; R114-M129 CarbonylContact O-C 3.51Å; R114-M129 WeakPolarHBondContact O-CA 3.32Å; R114-E130 HydrophobicContact CB-CB 4.18Å; R114-E130 WeakPolarHBondContact CD-OE1 3.48Å; R114-E130 IonicContact CZ-OE1 2.73Å; R114-E130 PolarHBondContact N-O 2.77Å; R114-E130 IonicContact NE-OE1 3.53Å; R114-E130 IonicContact NH1-OE1 3.59Å; R114-E130 PolarHBondContact NH1-OE1 2.97Å; R114-E130 VanDerWaalsContact NH1-OE1 3.07Å; R114-E130 PolarHBondContact O-N 3.31Å; R114-E132 IonicContact CZ-OE2 2.91Å; R114-E132 IonicContact NH1-OE2 3.84Å; R114-E132 PolarHBondContact NH1-OE2 3.25Å; R114-E132 IonicContact NH2-OE2 3.27Å; R114-R482 HydrophobicContact CB-CG 3.68Å; R114-K483 CarbonylContact C-O 3.57Å; R114-K483 WeakPolarHBondContact CA-O 3.45Å; R114-E484 HydrophobicContact CG-CB 4.44Å; R114-E484 HydrophobicContact CG-CG 3.55Å; R114-E484 IonicContact CZ-OE1 3.05Å; R114-E484 VanDerWaalsContact CZ-OE1 3.22Å; R114-E484 IonicContact NE-OE1 3.74Å; R114-E484 PolarHBondContact NE-OE1 3.29Å; R114-E484 IonicContact NH2-OE1 3.78Å; R114-E484 PolarHBondContact NH2-OE1 2.96Å
115S97.9Very high97.2Very high0 Ų019.7 Ų19.70%013%0.131CC..EExtended strand (participates in β ladder)trans-137.6158.6-173.3-163.80000112F64 L128 K483F64-S115 VanDerWaalsContact CE1-OG 3.28Å; F64-S115 WeakPolarHBondContact CE1-OG 3.44Å; F64-S115 WeakPolarHBondContact CZ-OG 3.38Å; S115-L128 WeakPolarHBondContact CA-O 3.28Å; S115-L128 PolarHBondContact OG-O 2.94Å; S115-K483 PolarHBondContact N-O 3.43Å; S115-K483 PolarHBondContact O-N 3.31Å
116L97.4Very high97.2Very high0 Ų017.1 Ų17.10%010%0.104CC..PPolyproline II helixtrans-64.1149.5162.2-8462.1000109F64 E118 V122 V126 P127 L128 L481F64-L116 HydrophobicContact CD1-CB 4.1Å; F64-L116 HydrophobicContact CE1-CB 4.45Å; F64-L116 WeakPolarHBondContact CE1-O 3.26Å; L116-E118 PolarHBondContact O-N 3.2Å; L116-V122 HydrophobicContact CD2-CG1 3.5Å; L116-V126 HydrophobicContact CD2-CG1 4.47Å; L116-P127 WeakPolarHBondContact CD1-O 3.36Å; L116-L128 HydrophobicContact CD2-CD2 4.48Å; L116-L128 PolarHBondContact N-O 3.12Å; L116-L481 WeakPolarHBondContact CA-O 3.23Å; L116-L481 HydrophobicContact CD1-CB 4.33Å; L116-L481 HydrophobicContact CD2-CB 4.39Å; L116-L481 HydrophobicContact CD2-CD1 3.97Å; L116-L481 HydrophobicContact CG-CB 3.88Å; L116-L481 HydrophobicContact CG-CD1 4.36Å
117P95.8Very high97.3Very high37 Ų3716.8 Ų16.824%0.2410%0.103CC..PPolyproline II helixtrans-60.5136.7174.5-22.231.5000110.9G119 S120 L481 K483P117-G119 PolarHBondContact O-N 3.43Å; P117-S120 VanDerWaalsContact O-CB 3.29Å; P117-S120 WeakPolarHBondContact O-CB 3.3Å; P117-S120 PolarHBondContact O-N 3.35Å; P117-S120 VanDerWaalsContact O-N 3.17Å; P117-S120 PolarHBondContact O-OG 3.11Å; P117-L481 VanDerWaalsContact CD-O 3.24Å; P117-L481 WeakPolarHBondContact CD-O 3.41Å; P117-K483 HydrophobicContact CG-CD 4.23Å
118E97.5Very high97.4Very high11 Ų1115 Ų155%0.0519%0.094CC..THydrogen-bonded Turntrans-59.8139.2171.2-158.7172.7-174.900110.9A65 G66 L67 N68 L116 Y192 T501A65-E118 WeakPolarHBondContact CA-OE1 3.26Å; G66-E118 PolarHBondContact N-OE1 3.06Å; L67-E118 HydrophobicContact CB-CB 4.09Å; L67-E118 HydrophobicContact CB-CG 4.26Å; L67-E118 HydrophobicContact CD2-CB 4.45Å; N68-E118 WeakPolarHBondContact CB-OE2 3.49Å; N68-E118 PolarHBondContact N-OE2 3.2Å; L116-E118 PolarHBondContact O-N 3.2Å; E118-Y192 VanDerWaalsContact OE1-CE1 3.3Å; E118-Y192 WeakPolarHBondContact OE1-CE1 3.45Å; E118-T501 HydrophobicContact CB-CG2 4.37Å; E118-T501 HydrophobicContact CG-CG2 4Å
119G97.3Very high97.5Very high2 Ų215 Ų152%0.0219%0.093CC..THydrogen-bonded Turntrans87.40.4-172.900000114.6F64 P117 V505F64-G119 PolarHBondContact O-N 3.06Å; P117-G119 PolarHBondContact O-N 3.43Å; G119-V505 VanDerWaalsContact CA-CG2 3.44Å; G119-V505 WeakPolarHBondContact O-CA 3.4Å
120S97.8Very high97.6Very high13 Ų1312.1 Ų12.19%0.0917%0.073CC..  trans-69.7141.5174.1-56.60000111.8F64 P117 V122F64-S120 PolarHBondContact N-O 3.2Å; P117-S120 VanDerWaalsContact O-CB 3.29Å; P117-S120 WeakPolarHBondContact O-CB 3.3Å; P117-S120 PolarHBondContact O-N 3.35Å; P117-S120 VanDerWaalsContact O-N 3.17Å; P117-S120 PolarHBondContact O-OG 3.11Å; S120-V122 PolarHBondContact O-N 3.45Å
121V98.3Very high97.7Very high0 Ų09.4 Ų9.40%05%0.05CC..EExtended strand (participates in β ladder)trans-64.3129.2158.1170.30000108.4F61 S62 L63 F123 R432 S508 L509 L512F61-V121 HydrophobicContact CB-CG1 3.89Å; F61-V121 HydrophobicContact CD2-CG1 4.18Å; F61-V121 HydrophobicContact CD2-CG2 4.32Å; F61-V121 HydrophobicContact CG-CG1 4.29Å; S62-V121 CarbonylContact O-C 3.56Å; S62-V121 WeakPolarHBondContact O-CA 3.38Å; L63-V121 HydrophobicContact CD2-CG2 3.83Å; V121-F123 HydrophobicContact CG1-CE1 4.32Å; V121-F123 HydrophobicContact CG1-CE2 4.11Å; V121-F123 HydrophobicContact CG1-CZ 3.74Å; V121-R432 VanDerWaalsContact O-CZ 3.24Å; V121-R432 PolarHBondContact O-NH1 3.39Å; V121-R432 PolarHBondContact O-NH2 3.43Å; V121-S508 WeakPolarHBondContact CB-OG 3.39Å; V121-S508 WeakPolarHBondContact CG2-O 3.07Å; V121-S508 WeakPolarHBondContact CG2-OG 3.29Å; V121-S508 PolarHBondContact N-OG 3.12Å; V121-L509 HydrophobicContact CG2-CD2 3.91Å; V121-L509 HydrophobicContact CG2-CG 4.29Å; V121-L512 HydrophobicContact CG1-CD1 4.42Å; V121-L512 HydrophobicContact CG1-CD2 4.11Å
122V98.2Very high97.7Very high1 Ų111.6 Ų11.61%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-135.3161.9-177.7-62.70000111.2F52 S62 F64 L116 S120 L128F52-V122 HydrophobicContact CE1-CG2 3.86Å; F52-V122 HydrophobicContact CZ-CG2 4.18Å; S62-V122 PolarHBondContact N-O 3.26Å; S62-V122 PolarHBondContact O-N 3.25Å; F64-V122 HydrophobicContact CB-CB 4.5Å; F64-V122 HydrophobicContact CB-CG1 3.7Å; F64-V122 HydrophobicContact CB-CG2 3.97Å; L116-V122 HydrophobicContact CD2-CG1 3.5Å; S120-V122 PolarHBondContact O-N 3.45Å; V122-L128 HydrophobicContact CB-CD2 3.7Å; V122-L128 HydrophobicContact CG1-CD2 3.79Å; V122-L128 HydrophobicContact CG2-CD2 3.76Å
123F97.9Very high97.7Very high3 Ų311.1 Ų11.11%0.0136%0.059CC..  trans-129157.1-173.7-57-79.3000111.4G60 F61 V121 R125 V126 D443 L512 Y525 V527G60-F123 WeakPolarHBondContact O-CD1 3.25Å; G60-F123 WeakPolarHBondContact O-CE1 3.36Å; F61-F123 HydrophobicContact CB-CD1 4.35Å; F61-F123 HydrophobicContact CB-CE1 3.86Å; V121-F123 HydrophobicContact CG1-CE1 4.32Å; V121-F123 HydrophobicContact CG1-CE2 4.11Å; V121-F123 HydrophobicContact CG1-CZ 3.74Å; F123-R125 PolarHBondContact O-N 3.19Å; F123-V126 HydrophobicContact CB-CG2 4.22Å; F123-V126 WeakPolarHBondContact O-CB 3.3Å; F123-V126 PolarHBondContact O-N 3.24Å; F123-D443 WeakPolarHBondContact CD2-OD2 3.31Å; F123-L512 HydrophobicContact CE1-CD1 4.29Å; F123-L512 HydrophobicContact CZ-CD1 3.82Å; F123-Y525 HydrophobicContact CB-CD1 4.09Å; F123-Y525 VanDerWaalsContact CD1-CB 3.43Å; F123-Y525 AromaticContact CD1-CD1 3.61Å; F123-Y525 HydrophobicContact CD1-CD1 3.61Å; F123-Y525 HydrophobicContact CD1-CD2 4.26Å; F123-Y525 HydrophobicContact CD1-CE1 4.39Å; F123-Y525 AromaticContact CD1-CG 3.51Å; F123-Y525 HydrophobicContact CD1-CG 3.51Å; F123-Y525 AromaticContact CD2-CD1 3.33Å; F123-Y525 HydrophobicContact CD2-CD1 3.33Å; F123-Y525 HydrophobicContact CD2-CD2 4.47Å; F123-Y525 AromaticContact CD2-CE1 3.29Å; F123-Y525 HydrophobicContact CD2-CE1 3.29Å; F123-Y525 HydrophobicContact CD2-CE2 4.44Å; F123-Y525 AromaticContact CD2-CG 3.94Å; F123-Y525 HydrophobicContact CD2-CG 3.94Å; F123-Y525 AromaticContact CD2-CZ 3.88Å; F123-Y525 VanDerWaalsContact CE1-CB 3.43Å; F123-Y525 AromaticContact CE1-CD1 3.78Å; F123-Y525 HydrophobicContact CE1-CD1 3.78Å; F123-Y525 AromaticContact CE1-CD2 3.59Å; F123-Y525 HydrophobicContact CE1-CD2 3.59Å; F123-Y525 HydrophobicContact CE1-CE1 4.39Å; F123-Y525 HydrophobicContact CE1-CE2 4.22Å; F123-Y525 AromaticContact CE1-CG 3.31Å; F123-Y525 HydrophobicContact CE1-CG 3.31Å; F123-Y525 AromaticContact CE2-CD1 3.51Å; F123-Y525 HydrophobicContact CE2-CD1 3.51Å; F123-Y525 AromaticContact CE2-CD2 3.84Å; F123-Y525 HydrophobicContact CE2-CD2 3.84Å; F123-Y525 AromaticContact CE2-CE1 3.29Å; F123-Y525 HydrophobicContact CE2-CE1 3.29Å; F123-Y525 AromaticContact CE2-CE2 3.64Å; F123-Y525 HydrophobicContact CE2-CE2 3.64Å; F123-Y525 AromaticContact CE2-CG 3.76Å; F123-Y525 HydrophobicContact CE2-CG 3.76Å; F123-Y525 AromaticContact CE2-CZ 3.34Å; F123-Y525 AromaticContact CG-CD1 3.37Å; F123-Y525 HydrophobicContact CG-CD1 3.37Å; F123-Y525 AromaticContact CG-CE1 3.87Å; F123-Y525 HydrophobicContact CG-CE1 3.87Å; F123-Y525 AromaticContact CG-CG 3.81Å; F123-Y525 HydrophobicContact CG-CG 3.81Å; F123-Y525 AromaticContact CZ-CD1 3.72Å; F123-Y525 HydrophobicContact CZ-CD1 3.72Å; F123-Y525 AromaticContact CZ-CD2 3.34Å; F123-Y525 HydrophobicContact CZ-CD2 3.34Å; F123-Y525 AromaticContact CZ-CE1 3.86Å; F123-Y525 HydrophobicContact CZ-CE1 3.86Å; F123-Y525 AromaticContact CZ-CE2 3.5Å; F123-Y525 HydrophobicContact CZ-CE2 3.5Å; F123-Y525 VanDerWaalsContact CZ-CE2 3.5Å; F123-Y525 AromaticContact CZ-CG 3.43Å; F123-Y525 HydrophobicContact CZ-CG 3.43Å; F123-Y525 VanDerWaalsContact CZ-CG 3.43Å; F123-Y525 AromaticContact CZ-CZ 3.74Å; F123-V527 HydrophobicContact CB-CG2 4.16Å
124A95.9Very high97.7Very high20 Ų2011.8 Ų11.817%0.1656%0.064CC..THydrogen-bonded Turntrans-49.7139.6173.900000111.8F52 R53 V126F52-A124 HydrophobicContact CD2-CB 4.22Å; F52-A124 HydrophobicContact CE2-CB 3.93Å; F52-A124 VanDerWaalsContact CE2-N 3.3Å; R53-A124 VanDerWaalsContact O-CB 3.3Å; R53-A124 WeakPolarHBondContact O-CB 3.32Å; A124-V126 PolarHBondContact O-N 3.35Å; A124-V126 VanDerWaalsContact O-N 3.16Å
125R95.4Very high97.7Very high56 Ų5610.5 Ų10.521%0.2116%0.059CC..THydrogen-bonded Turntrans65.89.8175.3-53.2168.5-179.1-92.5-4.4115F52 R53 F123 Q420 L464F52-R125 PolarHBondContact O-N 3.5Å; R53-R125 PolarHBondContact O-NE 3.49Å; F123-R125 PolarHBondContact O-N 3.19Å; R125-Q420 PolarHBondContact NH1-O 3.3Å; R125-Q420 PolarHBondContact NH2-O 3.05Å; R125-Q420 VanDerWaalsContact NH2-O 3.08Å; R125-L464 HydrophobicContact CB-CD2 3.47Å; R125-L464 VanDerWaalsContact CB-CD2 3.47Å; R125-L464 HydrophobicContact CG-CD2 4.11Å
126V97.3Very high97.7Very high0 Ų010.5 Ų10.50%06%0.06CC..SBendtrans-88.7126.2166.8-179.60000109.1F51 L116 F123 A124 L128 V430 D443 L445 V527F51-V126 VanDerWaalsContact CB-O 3.27Å; F51-V126 WeakPolarHBondContact CB-O 3.47Å; L116-V126 HydrophobicContact CD2-CG1 4.47Å; F123-V126 HydrophobicContact CB-CG2 4.22Å; F123-V126 WeakPolarHBondContact O-CB 3.3Å; F123-V126 PolarHBondContact O-N 3.24Å; A124-V126 PolarHBondContact O-N 3.35Å; A124-V126 VanDerWaalsContact O-N 3.16Å; V126-L128 PolarHBondContact O-N 3.07Å; V126-V430 HydrophobicContact CG1-CB 4.38Å; V126-V430 HydrophobicContact CG1-CG1 3.6Å; V126-V430 HydrophobicContact CG1-CG2 3.91Å; V126-D443 HydrophobicContact CG2-CB 4.17Å; V126-L445 HydrophobicContact CG1-CD2 4.43Å; V126-V527 HydrophobicContact CG2-CB 4.48Å; V126-V527 HydrophobicContact CG2-CG1 3.89Å; V126-V527 HydrophobicContact CG2-CG2 3.69Å
127P97.4Very high97.7Very high2 Ų211 Ų111%0.0136%0.063CC..  trans-61.9116.9173.4-21.733.1000111.6E49 M50 L116E49-P127 HydrophobicContact CB-CB 4.22Å; E49-P127 HydrophobicContact CG-CB 4.23Å; E49-P127 WeakPolarHBondContact OE2-CG 3.44Å; M50-P127 CarbonylContact O-C 3.6Å; M50-P127 WeakPolarHBondContact O-CA 3.23Å; L116-P127 WeakPolarHBondContact CD1-O 3.36Å
128L98.3Very high97.8Very high1 Ų19.3 Ų9.31%0.0055%0.051CC..  trans-79.6-36.9177.9-54.7179.2000111.9M50 F52 F64 S115 L116 V122 V126 V149M50-L128 PolarHBondContact O-N 2.96Å; F52-L128 HydrophobicContact CD1-CD1 3.94Å; F52-L128 HydrophobicContact CE1-CD1 4.18Å; F52-L128 HydrophobicContact CE1-CD2 4.22Å; F64-L128 HydrophobicContact CD2-CB 4.05Å; F64-L128 HydrophobicContact CD2-CD1 3.84Å; F64-L128 HydrophobicContact CD2-CD2 4.35Å; F64-L128 HydrophobicContact CD2-CG 4.31Å; F64-L128 HydrophobicContact CE2-CB 3.89Å; F64-L128 HydrophobicContact CE2-CD1 4.15Å; F64-L128 HydrophobicContact CZ-CB 4.4Å; S115-L128 WeakPolarHBondContact CA-O 3.28Å; S115-L128 PolarHBondContact OG-O 2.94Å; L116-L128 HydrophobicContact CD2-CD2 4.48Å; L116-L128 PolarHBondContact N-O 3.12Å; V122-L128 HydrophobicContact CB-CD2 3.7Å; V122-L128 HydrophobicContact CG1-CD2 3.79Å; V122-L128 HydrophobicContact CG2-CD2 3.76Å; V126-L128 PolarHBondContact O-N 3.07Å; L128-V149 HydrophobicContact CD1-CG1 4.29Å
129M98.3Very high97.9Very high1 Ų19.3 Ų9.31%0.0055%0.052CC..EExtended strand (participates in β ladder)trans-145.8135.2-175.1-173.9-176.6-68.200109.7E49 M50 F64 L67 C70 I113 R114 V131 L145 V149E49-M129 CarbonylContact C-O 3.46Å; E49-M129 VanDerWaalsContact CA-O 3.3Å; E49-M129 WeakPolarHBondContact CA-O 3.35Å; M50-M129 HydrophobicContact CB-CB 4.23Å; M50-M129 PolarHBondContact N-O 2.99Å; F64-M129 HydrophobicContact CZ-CE 4.44Å; L67-M129 HydrophobicContact CD1-CE 3.68Å; C70-M129 HydrophobicContact CB-CE 4.27Å; I113-M129 HydrophobicContact CD1-SD 4.49Å; I113-M129 HydrophobicContact CG2-CE 4.37Å; I113-M129 HydrophobicContact CG2-CG 3.62Å; I113-M129 HydrophobicContact CG2-SD 3.92Å; R114-M129 CarbonylContact O-C 3.51Å; R114-M129 WeakPolarHBondContact O-CA 3.32Å; M129-V131 HydrophobicContact CG-CG2 4Å; M129-V131 HydrophobicContact SD-CG2 3.95Å; M129-L145 HydrophobicContact SD-CD1 4.32Å; M129-V149 HydrophobicContact CE-CG2 4.41Å
130E98.4Very high97.9Very high0 Ų09.5 Ų9.50%05%0.052CC..EExtended strand (participates in β ladder)trans-107.3132.7167.2178-167.498.200108V47 F48 E49 I113 R114 R427 R482V47-E130 HydrophobicContact CG1-CG 3.44Å; V47-E130 VanDerWaalsContact CG1-CG 3.44Å; F48-E130 CarbonylContact O-C 3.6Å; F48-E130 WeakPolarHBondContact O-CA 3.45Å; E49-E130 HydrophobicContact CG-CB 4.34Å; E49-E130 HydrophobicContact CG-CG 4.49Å; I113-E130 WeakPolarHBondContact CA-O 3.17Å; R114-E130 HydrophobicContact CB-CB 4.18Å; R114-E130 WeakPolarHBondContact CD-OE1 3.48Å; R114-E130 IonicContact CZ-OE1 2.73Å; R114-E130 PolarHBondContact N-O 2.77Å; R114-E130 IonicContact NE-OE1 3.53Å; R114-E130 IonicContact NH1-OE1 3.59Å; R114-E130 PolarHBondContact NH1-OE1 2.97Å; R114-E130 VanDerWaalsContact NH1-OE1 3.07Å; R114-E130 PolarHBondContact O-N 3.31Å; E130-R427 VanDerWaalsContact CD-NE 3.34Å; E130-R427 IonicContact OE1-CZ 3.58Å; E130-R427 IonicContact OE1-NE 3.49Å; E130-R427 PolarHBondContact OE1-NE 3.14Å; E130-R427 VanDerWaalsContact OE1-NE 3.09Å; E130-R427 IonicContact OE1-NH2 2.73Å; E130-R427 PolarHBondContact OE1-NH2 2.9Å; E130-R427 WeakPolarHBondContact OE2-CG 3.28Å; E130-R427 IonicContact OE2-NE 3.42Å; E130-R427 PolarHBondContact OE2-NE 2.66Å; E130-R427 VanDerWaalsContact OE2-NE 3.1Å; E130-R482 IonicContact OE2-CZ 2.96Å; E130-R482 IonicContact OE2-NH1 3.85Å; E130-R482 PolarHBondContact OE2-NH1 3.28Å
131V98.6Very high98Very high0 Ų08.9 Ų8.90%05%0.048CC..EExtended strand (participates in β ladder)trans-122.9113.4179-174.90000108.2V47 F48 V111 I113 M129 V138 L141 L145 Y402V47-V131 WeakPolarHBondContact CA-O 3.37Å; F48-V131 PolarHBondContact N-O 3.27Å; F48-V131 PolarHBondContact O-N 3.21Å; V111-V131 HydrophobicContact CG1-CG1 4.03Å; I113-V131 HydrophobicContact CD1-CB 3.99Å; I113-V131 HydrophobicContact CD1-CG1 3.68Å; I113-V131 HydrophobicContact CD1-CG2 3.62Å; M129-V131 HydrophobicContact CG-CG2 4Å; M129-V131 HydrophobicContact SD-CG2 3.95Å; V131-V138 HydrophobicContact CG1-CB 3.96Å; V131-V138 HydrophobicContact CG1-CG1 3.78Å; V131-L141 HydrophobicContact CG1-CD1 4.35Å; V131-L145 HydrophobicContact CG2-CD1 3.98Å; V131-Y402 HydrophobicContact CB-CE2 4.09Å; V131-Y402 VanDerWaalsContact CB-OH 3.26Å; V131-Y402 WeakPolarHBondContact CB-OH 3.49Å; V131-Y402 VanDerWaalsContact CG1-OH 3.3Å; V131-Y402 WeakPolarHBondContact CG1-OH 3.44Å; V131-Y402 HydrophobicContact CG2-CE2 3.67Å
132E98.6Very high98Very high47 Ų4710.3 Ų10.322%0.225%0.054CC..EExtended strand (participates in β ladder)trans-115.7137.8-176.4173.1177.9-147.600109.9A46 V47 V111 T112 R114 R427A46-E132 WeakPolarHBondContact O-CA 3.31Å; V47-E132 HydrophobicContact CG2-CB 4.28Å; V47-E132 HydrophobicContact CG2-CG 4.17Å; V111-E132 CarbonylContact C-O 3.55Å; V111-E132 WeakPolarHBondContact CA-O 3.42Å; T112-E132 PolarHBondContact N-O 2.95Å; T112-E132 PolarHBondContact O-N 2.87Å; R114-E132 IonicContact CZ-OE2 2.91Å; R114-E132 IonicContact NH1-OE2 3.84Å; R114-E132 PolarHBondContact NH1-OE2 3.25Å; R114-E132 IonicContact NH2-OE2 3.27Å; E132-R427 IonicContact OE1-CZ 3.92Å; E132-R427 IonicContact OE1-NH1 3.88Å; E132-R427 PolarHBondContact OE1-NH1 3.06Å; E132-R427 IonicContact OE1-NH2 3.57Å; E132-R427 IonicContact OE2-CZ 3.38Å; E132-R427 IonicContact OE2-NH1 3.2Å; E132-R427 PolarHBondContact OE2-NH1 2.86Å; E132-R427 IonicContact OE2-NH2 3.87Å; E132-R427 PolarHBondContact OE2-NH2 3.1Å
133G98.3Very high98Very high9 Ų911.8 Ų11.89%0.0936%0.063CC..EExtended strand (participates in β ladder)trans160.4-166.1177.400000113.7A46 L135A46-G133 PolarHBondContact N-O 3.46Å; A46-G133 PolarHBondContact O-N 3.04Å; G133-L135 PolarHBondContact O-N 2.86Å
134P98.4Very high97.9Very high15 Ų1511.6 Ų11.610%0.0976%0.063CC..EExtended strand (participates in β ladder)trans-59.9129.4176-23.934.3000111.7A110 A136 V137 V138A110-P134 HydrophobicContact CB-CG 3.83Å; P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.25Å; P134-A136 VanDerWaalsContact O-N 3.16Å; P134-V137 HydrophobicContact CB-CB 4.28Å; P134-V137 HydrophobicContact CB-CG2 3.98Å; P134-V137 HydrophobicContact CG-CG2 4.34Å; P134-V137 WeakPolarHBondContact O-CA 3.35Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 PolarHBondContact O-N 3.25Å; P134-V138 WeakPolarHBondContact O-CG2 3.36Å; P134-V138 PolarHBondContact O-N 3.26Å
135L98.6Very high98Very high2 Ų210.7 Ų10.71%0.016%0.055CC..Hα-helixtrans-48.9-46.4-171.8177.660000114Y36 H42 E44 A46 F48 G133 Q139Y36-L135 HydrophobicContact CD1-CD2 3.8Å; Y36-L135 HydrophobicContact CD1-CG 4.47Å; Y36-L135 HydrophobicContact CD2-CD2 4.26Å; Y36-L135 HydrophobicContact CD2-CG 4.05Å; Y36-L135 HydrophobicContact CE1-CD2 3.78Å; Y36-L135 HydrophobicContact CE1-CG 4.42Å; Y36-L135 HydrophobicContact CE2-CD1 4.3Å; Y36-L135 HydrophobicContact CE2-CD2 4.22Å; Y36-L135 HydrophobicContact CE2-CG 3.96Å; Y36-L135 HydrophobicContact CG-CD2 4.07Å; Y36-L135 HydrophobicContact CG-CG 4.31Å; H42-L135 PolarHBondContact O-N 3.36Å; E44-L135 HydrophobicContact CB-CB 4.38Å; E44-L135 WeakPolarHBondContact O-CB 2.85Å; E44-L135 PolarHBondContact O-N 2.86Å; A46-L135 HydrophobicContact CB-CB 4.07Å; A46-L135 HydrophobicContact CB-CD1 3.68Å; A46-L135 HydrophobicContact CB-CG 4.47Å; F48-L135 HydrophobicContact CE2-CD1 4.09Å; F48-L135 HydrophobicContact CZ-CD1 4.23Å; G133-L135 PolarHBondContact O-N 2.86Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 PolarHBondContact O-N 3.21Å; L135-Q139 VanDerWaalsContact O-N 3.11Å
136A98Very high98.2Very high1 Ų19.3 Ų9.31%0.0085%0.051CC..Hα-helixtrans-67.6-36.7-179.800000112.3A33 H42 F102 P134 L140A33-A136 HydrophobicContact CB-CB 4.43Å; H42-A136 HydrophobicContact CB-CB 3.66Å; H42-A136 PolarHBondContact O-N 3.27Å; H42-A136 VanDerWaalsContact O-N 3.08Å; F102-A136 HydrophobicContact CZ-CB 4.26Å; P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.25Å; P134-A136 VanDerWaalsContact O-N 3.16Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.45Å; A136-L140 PolarHBondContact O-N 2.94Å
137V98.1Very high98.2Very high11 Ų1112.4 Ų12.47%0.0677%0.073CC..Hα-helixtrans-67.4-55.9179.5179.40000109.9L106 D107 V111 P134 Q139 L140 L141L106-V137 HydrophobicContact CD2-CG2 3.86Å; D107-V137 WeakPolarHBondContact O-CG1 3.34Å; V111-V137 HydrophobicContact CG2-CG1 3.62Å; P134-V137 HydrophobicContact CB-CB 4.28Å; P134-V137 HydrophobicContact CB-CG2 3.98Å; P134-V137 HydrophobicContact CG-CG2 4.34Å; P134-V137 WeakPolarHBondContact O-CA 3.35Å; P134-V137 WeakPolarHBondContact O-CB 3.37Å; P134-V137 PolarHBondContact O-N 3.25Å; V137-Q139 PolarHBondContact O-N 3Å; V137-L140 PolarHBondContact O-N 3.02Å; V137-L141 WeakPolarHBondContact O-CG 3.48Å; V137-L141 PolarHBondContact O-N 2.76Å
138V98.4Very high98.1Very high0 Ų013.1 Ų13.10%08%0.076CC..Hα-helixtrans-68.4-19.5-176.3-60.10000113.4A46 F48 V111 V131 P134 Y402A46-V138 HydrophobicContact CB-CG2 4.09Å; F48-V138 HydrophobicContact CD2-CB 4.29Å; F48-V138 HydrophobicContact CD2-CG2 3.63Å; F48-V138 HydrophobicContact CE2-CG2 3.56Å; V111-V138 HydrophobicContact CG1-CG1 4.47Å; V111-V138 HydrophobicContact CG2-CG1 4.13Å; V131-V138 HydrophobicContact CG1-CB 3.96Å; V131-V138 HydrophobicContact CG1-CG1 3.78Å; P134-V138 WeakPolarHBondContact O-CG2 3.36Å; P134-V138 PolarHBondContact O-N 3.26Å; V138-Y402 WeakPolarHBondContact O-CE1 3.28Å; V138-Y402 PolarHBondContact O-OH 3.02Å
139Q98.4Very high98.1Very high12 Ų1213 Ų136%0.0568%0.076CC..Hα-helixtrans-72-44.9169.5-177.56158.500111.6Q29 M32 Y36 F48 L135 V137 L141 E142Q29-Q139 PolarHBondContact OE1-O 3.41Å; M32-Q139 HydrophobicContact CE-CG 4.11Å; Y36-Q139 HydrophobicContact CE2-CB 4.41Å; Y36-Q139 HydrophobicContact CE2-CG 4.17Å; F48-Q139 VanDerWaalsContact CZ-OE1 3.31Å; L135-Q139 WeakPolarHBondContact O-CB 3.42Å; L135-Q139 PolarHBondContact O-N 3.21Å; L135-Q139 VanDerWaalsContact O-N 3.11Å; V137-Q139 PolarHBondContact O-N 3Å; Q139-L141 PolarHBondContact O-N 2.63Å; Q139-E142 PolarHBondContact NE2-OE2 2.84Å; Q139-E142 WeakPolarHBondContact O-CB 3.48Å; Q139-E142 PolarHBondContact O-N 2.88Å; Q139-E142 VanDerWaalsContact O-N 3.16Å
140L98.3Very high98.1Very high6 Ų614.2 Ų14.23%0.0318%0.082CC..Hα-helixtrans-62.5-25.7179.9-73.9167.7000113Q29 F30 A33 L106 A136 V137 E142Q29-L140 HydrophobicContact CB-CD2 4.07Å; F30-L140 HydrophobicContact CD1-CD2 3.77Å; F30-L140 HydrophobicContact CE1-CD2 3.78Å; F30-L140 HydrophobicContact CG-CD2 4.25Å; F30-L140 HydrophobicContact CZ-CD2 4.3Å; A33-L140 HydrophobicContact CB-CD1 4.25Å; A33-L140 HydrophobicContact CB-CD2 4.14Å; A33-L140 HydrophobicContact CB-CG 4.21Å; L106-L140 HydrophobicContact CD1-CD1 3.73Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.45Å; A136-L140 PolarHBondContact O-N 2.94Å; V137-L140 PolarHBondContact O-N 3.02Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.14Å
141L98.4Very high98Very high0 Ų016.1 Ų16.10%09%0.089CC..THydrogen-bonded Turntrans-75.4-16.2179.3-59.7176.3000113.9F73 L74 F77 V111 V131 V137 Q139 T143 S144 L145F73-L141 HydrophobicContact CE1-CD2 3.85Å; F73-L141 HydrophobicContact CZ-CD2 4.42Å; L74-L141 HydrophobicContact CD2-CD1 3.6Å; L74-L141 HydrophobicContact CD2-CD2 3.84Å; L74-L141 HydrophobicContact CD2-CG 4.31Å; F77-L141 HydrophobicContact CD2-CD2 3.98Å; F77-L141 HydrophobicContact CE2-CD2 3.96Å; F77-L141 HydrophobicContact CG-CD2 4.43Å; F77-L141 HydrophobicContact CZ-CD2 4.41Å; V111-L141 HydrophobicContact CG1-CD1 4.26Å; V111-L141 HydrophobicContact CG2-CD1 4.2Å; V131-L141 HydrophobicContact CG1-CD1 4.35Å; V137-L141 WeakPolarHBondContact O-CG 3.48Å; V137-L141 PolarHBondContact O-N 2.76Å; Q139-L141 PolarHBondContact O-N 2.63Å; L141-T143 PolarHBondContact O-N 2.79Å; L141-S144 PolarHBondContact O-N 3.46Å; L141-L145 HydrophobicContact CB-CD1 3.82Å; L141-L145 HydrophobicContact CB-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 VanDerWaalsContact O-CG 3.26Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 2.64Å
142E98.6Very high98Very high30 Ų3016.1 Ų16.114%0.149%0.089CC..Hα-helixtrans-51.4-55.2-172.5170.4165.1-162.600112.5Q139 L140 L146 Y402Q139-E142 PolarHBondContact NE2-OE2 2.84Å; Q139-E142 WeakPolarHBondContact O-CB 3.48Å; Q139-E142 PolarHBondContact O-N 2.88Å; Q139-E142 VanDerWaalsContact O-N 3.16Å; L140-E142 VanDerWaalsContact C-N 3.32Å; L140-E142 PolarHBondContact O-N 3.14Å; E142-L146 HydrophobicContact CG-CD1 3.73Å; E142-L146 VanDerWaalsContact O-CB 3.3Å; E142-L146 WeakPolarHBondContact O-CB 3.29Å; E142-L146 VanDerWaalsContact O-CG 3.25Å; E142-L146 WeakPolarHBondContact O-CG 3.13Å; E142-L146 PolarHBondContact O-N 3.41Å; E142-Y402 HydrophobicContact CB-CD1 3.61Å; E142-Y402 HydrophobicContact CB-CE1 3.88Å; E142-Y402 HydrophobicContact CB-CG 4.17Å; E142-Y402 HydrophobicContact CG-CD1 3.64Å; E142-Y402 HydrophobicContact CG-CE1 4.42Å; E142-Y402 HydrophobicContact CG-CG 3.92Å
143T98.2Very high98Very high31 Ų3113.9 Ų13.919%0.198%0.079CC..Hα-helixtrans-66-46.2-171.3-57.70000111.8T25 D26 Q29 L141 L146 C147T25-T143 PolarHBondContact OG1-OG1 3.3Å; D26-T143 PolarHBondContact OD2-OG1 2.98Å; Q29-T143 PolarHBondContact NE2-OG1 3.09Å; L141-T143 PolarHBondContact O-N 2.79Å; T143-L146 PolarHBondContact O-N 3.04Å; T143-C147 WeakPolarHBondContact O-CB 3.49Å; T143-C147 PolarHBondContact O-N 3.39Å
144S97.1Very high98Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-69.6-41.4-177.3-42.60000112L24 F73 L141 C147 L148L24-S144 PolarHBondContact O-OG 3.17Å; F73-S144 VanDerWaalsContact CZ-CB 3.44Å; L141-S144 PolarHBondContact O-N 3.46Å; S144-C147 WeakPolarHBondContact O-CB 3.41Å; S144-C147 PolarHBondContact O-N 3.27Å; S144-L148 WeakPolarHBondContact O-CG 3.23Å; S144-L148 PolarHBondContact O-N 3.45Å
145L98.2Very high98Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-64.3-42.3175.6-66.2178.6000111.2M50 C70 F73 M129 V131 L141 C147 L148 V149 Y402M50-L145 HydrophobicContact CE-CB 3.66Å; C70-L145 HydrophobicContact CB-CD2 3.68Å; F73-L145 HydrophobicContact CD1-CD2 4.4Å; M129-L145 HydrophobicContact SD-CD1 4.32Å; V131-L145 HydrophobicContact CG2-CD1 3.98Å; L141-L145 HydrophobicContact CB-CD1 3.82Å; L141-L145 HydrophobicContact CB-CG 4.21Å; L141-L145 WeakPolarHBondContact O-CB 3.31Å; L141-L145 VanDerWaalsContact O-CG 3.26Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 2.64Å; L145-C147 VanDerWaalsContact C-N 3.32Å; L145-C147 PolarHBondContact O-N 3.17Å; L145-L148 PolarHBondContact O-N 3.49Å; L145-V149 WeakPolarHBondContact O-CB 3.34Å; L145-V149 WeakPolarHBondContact O-CG2 3.46Å; L145-V149 PolarHBondContact O-N 3.42Å; L145-Y402 HydrophobicContact CD1-CE2 4.35Å
146L98.3Very high98Very high27 Ų2712.7 Ų12.714%0.1417%0.07CC..Hα-helixtrans-61.6-41.3174.9-78.6172.7000111.7M50 E142 T143 N150 C400M50-L146 HydrophobicContact CE-CD2 3.91Å; M50-L146 HydrophobicContact CE-CG 4.11Å; M50-L146 HydrophobicContact CG-CD2 4.11Å; M50-L146 HydrophobicContact SD-CD2 4.16Å; E142-L146 HydrophobicContact CG-CD1 3.73Å; E142-L146 VanDerWaalsContact O-CB 3.3Å; E142-L146 WeakPolarHBondContact O-CB 3.29Å; E142-L146 VanDerWaalsContact O-CG 3.25Å; E142-L146 WeakPolarHBondContact O-CG 3.13Å; E142-L146 PolarHBondContact O-N 3.41Å; T143-L146 PolarHBondContact O-N 3.04Å; L146-N150 WeakPolarHBondContact O-CB 3.44Å; L146-N150 PolarHBondContact O-N 3.48Å; L146-N150 PolarHBondContact O-ND2 3.04Å; L146-C400 HydrophobicContact CD2-CB 3.74Å; L146-C400 WeakPolarHBondContact CD2-O 3.38Å
147C96.6Very high98.1Very high66 Ų6612.8 Ų12.845%0.4467%0.07SC..Hα-helixtrans-59.9-50.5177.8-175.80000111.4T143 S144 L145T143-C147 WeakPolarHBondContact O-CB 3.49Å; T143-C147 PolarHBondContact O-N 3.39Å; S144-C147 WeakPolarHBondContact O-CB 3.41Å; S144-C147 PolarHBondContact O-N 3.27Å; L145-C147 VanDerWaalsContact C-N 3.32Å; L145-C147 PolarHBondContact O-N 3.17Å
148L96.9Very high98.1Very high16 Ų1612.5 Ų12.58%0.0847%0.068CC..Hα-helixtrans-62.6-46.6-179-74.8172000112.6V20 D69 C70 F73 S144 L145 A152V20-L148 HydrophobicContact CG1-CD1 4.29Å; V20-L148 HydrophobicContact CG1-CG 4.48Å; V20-L148 HydrophobicContact CG2-CD2 3.77Å; V20-L148 HydrophobicContact CG2-CG 4.32Å; D69-L148 HydrophobicContact CB-CD1 4.42Å; D69-L148 HydrophobicContact CB-CD2 3.71Å; C70-L148 HydrophobicContact CB-CD1 4.45Å; F73-L148 HydrophobicContact CB-CD1 4.12Å; F73-L148 HydrophobicContact CG-CD1 4.46Å; S144-L148 WeakPolarHBondContact O-CG 3.23Å; S144-L148 PolarHBondContact O-N 3.45Å; L145-L148 PolarHBondContact O-N 3.49Å; L148-A152 WeakPolarHBondContact O-CB 3.23Å; L148-A152 PolarHBondContact O-N 2.9Å
149V98.3Very high98.1Very high0 Ų012.5 Ų12.50%07%0.068CC..Hα-helixtrans-76.7-42.6-175.9173.90000112.4M50 F64 L128 M129 L145 Y151 S153M50-V149 HydrophobicContact CE-CG2 4.37Å; M50-V149 HydrophobicContact SD-CB 3.65Å; M50-V149 HydrophobicContact SD-CG1 3.7Å; M50-V149 HydrophobicContact SD-CG2 3.81Å; F64-V149 HydrophobicContact CD2-CG1 4.26Å; F64-V149 HydrophobicContact CE2-CG1 3.78Å; F64-V149 HydrophobicContact CE2-CG2 4.3Å; L128-V149 HydrophobicContact CD1-CG1 4.29Å; M129-V149 HydrophobicContact CE-CG2 4.41Å; L145-V149 WeakPolarHBondContact O-CB 3.34Å; L145-V149 WeakPolarHBondContact O-CG2 3.46Å; L145-V149 PolarHBondContact O-N 3.42Å; V149-Y151 PolarHBondContact O-N 2.87Å; V149-S153 WeakPolarHBondContact O-CB 3.44Å; V149-S153 PolarHBondContact O-N 3.32Å; V149-S153 PolarHBondContact O-OG 3.45Å; V149-S153 VanDerWaalsContact O-OG 3.1Å
150N97.6Very high98.1Very high25 Ų2512 Ų1213%0.1347%0.066CC..Hα-helixtrans-56.9-54.7-176.1-93.1-71.1000111.3L146 L154 G399 C400L146-N150 WeakPolarHBondContact O-CB 3.44Å; L146-N150 PolarHBondContact O-N 3.48Å; L146-N150 PolarHBondContact O-ND2 3.04Å; N150-L154 WeakPolarHBondContact O-CB 3.34Å; N150-L154 PolarHBondContact O-N 3.18Å; N150-G399 PolarHBondContact OD1-N 3.42Å; N150-C400 WeakPolarHBondContact OD1-CB 3.44Å; N150-C400 PolarHBondContact OD1-N 3Å
151Y97.3Very high98Very high40 Ų4012.2 Ų12.216%0.1577%0.067CC..Hα-helixtrans-72.3-43.5-172.4-174.6-121000111.7V149 L154 V155 G185 T188 A189 V390V149-Y151 PolarHBondContact O-N 2.87Å; Y151-L154 PolarHBondContact O-N 3.49Å; Y151-V155 HydrophobicContact CD2-CG2 3.83Å; Y151-V155 HydrophobicContact CE1-CG2 4.22Å; Y151-V155 HydrophobicContact CE2-CG2 3.43Å; Y151-V155 VanDerWaalsContact CE2-CG2 3.43Å; Y151-V155 HydrophobicContact CG-CG2 4.38Å; Y151-V155 WeakPolarHBondContact O-CB 3.25Å; Y151-V155 WeakPolarHBondContact O-CG2 3.16Å; Y151-V155 PolarHBondContact O-N 2.89Å; Y151-G185 PolarHBondContact OH-O 2.84Å; Y151-T188 HydrophobicContact CD1-CG2 3.54Å; Y151-T188 HydrophobicContact CE1-CG2 3.89Å; Y151-A189 HydrophobicContact CE1-CB 4.37Å; Y151-V390 WeakPolarHBondContact CE2-O 3.46Å; Y151-V390 PolarHBondContact OH-O 2.81Å
152A98Very high98Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-58.6-51.3177.600000112.1A65 L148 L154 C156 Y192A65-A152 HydrophobicContact CB-CB 4.07Å; L148-A152 WeakPolarHBondContact O-CB 3.23Å; L148-A152 PolarHBondContact O-N 2.9Å; A152-L154 PolarHBondContact O-N 2.91Å; A152-C156 WeakPolarHBondContact O-CB 3.48Å; A152-C156 PolarHBondContact O-N 2.91Å; A152-Y192 HydrophobicContact CB-CD1 4.17Å; A152-Y192 HydrophobicContact CB-CD2 3.42Å; A152-Y192 VanDerWaalsContact CB-CD2 3.42Å; A152-Y192 HydrophobicContact CB-CE1 4.08Å; A152-Y192 HydrophobicContact CB-CE2 3.31Å; A152-Y192 HydrophobicContact CB-CG 3.87Å
153S98.7Very high97.9Very high1 Ų111.9 Ų11.91%0.0076%0.064CC..Hα-helixtrans-65.5-39.5-179.7-65.40000111.9L63 A65 V149 S157L63-S153 WeakPolarHBondContact O-CA 3.49Å; L63-S153 VanDerWaalsContact O-CB 3.3Å; L63-S153 WeakPolarHBondContact O-CB 3.49Å; A65-S153 PolarHBondContact N-OG 2.93Å; A65-S153 PolarHBondContact O-OG 3.16Å; V149-S153 WeakPolarHBondContact O-CB 3.44Å; V149-S153 PolarHBondContact O-N 3.32Å; V149-S153 PolarHBondContact O-OG 3.45Å; V149-S153 VanDerWaalsContact O-OG 3.1Å; S153-S157 VanDerWaalsContact O-CB 3.3Å; S153-S157 WeakPolarHBondContact O-CB 3.32Å; S153-S157 PolarHBondContact O-N 3.35Å; S153-S157 PolarHBondContact O-OG 3.44Å
154L98.6Very high97.8Very high1 Ų113.5 Ų13.51%0.0057%0.071CC..Hα-helixtrans-62.5-51.4177.6-175.370.3000111.9P56 F57 N150 Y151 A152 S157 N158 C392 Q395 P396 L398P56-L154 HydrophobicContact CB-CD1 3.67Å; P56-L154 HydrophobicContact CG-CD1 4.22Å; F57-L154 HydrophobicContact CE1-CD1 4.07Å; F57-L154 HydrophobicContact CE2-CD1 3.83Å; F57-L154 HydrophobicContact CZ-CD1 3.35Å; F57-L154 HydrophobicContact CZ-CG 3.87Å; N150-L154 WeakPolarHBondContact O-CB 3.34Å; N150-L154 PolarHBondContact O-N 3.18Å; Y151-L154 PolarHBondContact O-N 3.49Å; A152-L154 PolarHBondContact O-N 2.91Å; L154-S157 PolarHBondContact O-N 3.23Å; L154-N158 WeakPolarHBondContact O-CB 3.34Å; L154-N158 PolarHBondContact O-N 2.99Å; L154-C392 HydrophobicContact CD2-CB 3.68Å; L154-C392 HydrophobicContact CG-CB 4.03Å; L154-Q395 WeakPolarHBondContact CD2-O 3.36Å; L154-P396 VanDerWaalsContact CD2-C 3.49Å; L154-L398 HydrophobicContact CB-CB 4.19Å; L154-L398 HydrophobicContact CD1-CB 4.25Å
155V98.4Very high97.7Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-66.9-40.4-178.5173.30000111.1Y151 S157 N158 A159 A189 T193Y151-V155 HydrophobicContact CD2-CG2 3.83Å; Y151-V155 HydrophobicContact CE1-CG2 4.22Å; Y151-V155 HydrophobicContact CE2-CG2 3.43Å; Y151-V155 VanDerWaalsContact CE2-CG2 3.43Å; Y151-V155 HydrophobicContact CG-CG2 4.38Å; Y151-V155 WeakPolarHBondContact O-CB 3.25Å; Y151-V155 WeakPolarHBondContact O-CG2 3.16Å; Y151-V155 PolarHBondContact O-N 2.89Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 2.91Å; V155-N158 PolarHBondContact O-N 2.83Å; V155-A159 WeakPolarHBondContact O-CB 3.48Å; V155-A159 PolarHBondContact O-N 2.79Å; V155-A189 HydrophobicContact CG1-CB 4.23Å; V155-T193 HydrophobicContact CG1-CG2 3.36Å
156C98.6Very high97.5Very high0 Ų014.2 Ų14.20%08%0.077CC..Hα-helixtrans-58.7-46.3174.4-168.80000111.2L63 A65 A152 A159 A160 Y192L63-C156 HydrophobicContact CB-CB 4.29Å; A65-C156 HydrophobicContact CB-CB 3.95Å; A152-C156 WeakPolarHBondContact O-CB 3.48Å; A152-C156 PolarHBondContact O-N 2.91Å; C156-A159 PolarHBondContact O-N 2.95Å; C156-A160 PolarHBondContact O-N 2.94Å; C156-Y192 WeakPolarHBondContact CA-O 3.29Å
157S98.6Very high97.2Very high3 Ų314.2 Ų14.22%0.0218%0.084CC..Hα-helixtrans-63.9-42.6177.2-560000112.1S62 L63 S153 L154 V155 A160 R161S62-S157 WeakPolarHBondContact CA-OG 3.23Å; L63-S157 PolarHBondContact N-OG 2.84Å; S153-S157 VanDerWaalsContact O-CB 3.3Å; S153-S157 WeakPolarHBondContact O-CB 3.32Å; S153-S157 PolarHBondContact O-N 3.35Å; S153-S157 PolarHBondContact O-OG 3.44Å; L154-S157 PolarHBondContact O-N 3.23Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 2.91Å; S157-A160 PolarHBondContact O-N 3.07Å; S157-R161 WeakPolarHBondContact O-CG 3.39Å; S157-R161 PolarHBondContact O-N 2.94Å; S157-R161 VanDerWaalsContact O-N 3.07Å
158N98.4Very high96.9Very high4 Ų419.3 Ų19.32%0.02110%0.1CC..Hα-helixtrans-62.1-45176.9-164.916.4000111.2F57 L154 V155 A160 R161 F162 H388 L389 C392F57-N158 HydrophobicContact CE2-CB 3.77Å; F57-N158 HydrophobicContact CZ-CB 3.77Å; L154-N158 WeakPolarHBondContact O-CB 3.34Å; L154-N158 PolarHBondContact O-N 2.99Å; V155-N158 PolarHBondContact O-N 2.83Å; N158-A160 VanDerWaalsContact C-N 3.32Å; N158-A160 PolarHBondContact O-N 2.86Å; N158-R161 WeakPolarHBondContact O-CB 3.33Å; N158-R161 PolarHBondContact O-N 3.05Å; N158-R161 VanDerWaalsContact O-N 3.1Å; N158-F162 WeakPolarHBondContact O-CD2 3.27Å; N158-F162 PolarHBondContact O-N 3.07Å; N158-F162 WeakPolarHBondContact OD1-CE2 3.35Å; N158-H388 PolarHBondContact ND2-O 2.91Å; N158-L389 PolarHBondContact ND2-O 3.28Å; N158-C392 PolarHBondContact ND2-SG 3.48Å
159A98.4Very high96.5Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-60.6-39.6176.400000112.9V155 C156 R161 F162 R163 T193 F198 L389V155-A159 WeakPolarHBondContact O-CB 3.48Å; V155-A159 PolarHBondContact O-N 2.79Å; C156-A159 PolarHBondContact O-N 2.95Å; A159-R161 VanDerWaalsContact C-N 3.34Å; A159-R161 PolarHBondContact O-N 3.01Å; A159-F162 PolarHBondContact O-N 2.95Å; A159-R163 PolarHBondContact O-N 3.28Å; A159-T193 HydrophobicContact CB-CG2 4.22Å; A159-F198 HydrophobicContact CB-CD2 3.86Å; A159-F198 HydrophobicContact CB-CE2 4.09Å; A159-L389 HydrophobicContact CB-CD1 4Å
160A98.1Very high96.2Very high1 Ų130 Ų301%0.00815%0.148CC..Hα-helixtrans-63.8-38.217400000112.3L63 C156 S157 N158 R163 L164 G196L63-A160 HydrophobicContact CD1-CB 3.56Å; C156-A160 PolarHBondContact O-N 2.94Å; S157-A160 PolarHBondContact O-N 3.07Å; N158-A160 VanDerWaalsContact C-N 3.32Å; N158-A160 PolarHBondContact O-N 2.86Å; A160-R163 PolarHBondContact O-N 3Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.25Å; A160-L164 PolarHBondContact O-N 3.02Å; A160-G196 VanDerWaalsContact CA-O 3.27Å; A160-G196 WeakPolarHBondContact CA-O 3.3Å; A160-G196 PolarHBondContact N-O 2.82Å
161R97.4Very high96.2Very high12 Ų1234.1 Ų34.15%0.04516%0.162CC..Hα-helixtrans-62.9-45.8173.9-67.7174.262.477.48.9112S157 N158 A159 R163 L164 A165 E367 L519S157-R161 WeakPolarHBondContact O-CG 3.39Å; S157-R161 PolarHBondContact O-N 2.94Å; S157-R161 VanDerWaalsContact O-N 3.07Å; N158-R161 WeakPolarHBondContact O-CB 3.33Å; N158-R161 PolarHBondContact O-N 3.05Å; N158-R161 VanDerWaalsContact O-N 3.1Å; A159-R161 VanDerWaalsContact C-N 3.34Å; A159-R161 PolarHBondContact O-N 3.01Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.32Å; R161-L164 PolarHBondContact O-N 2.87Å; R161-A165 WeakPolarHBondContact O-CB 3.36Å; R161-A165 PolarHBondContact O-N 3.27Å; R161-E367 IonicContact CZ-OE1 3.4Å; R161-E367 IonicContact CZ-OE2 3.85Å; R161-E367 VanDerWaalsContact NE-CD 3.34Å; R161-E367 IonicContact NE-OE1 3.95Å; R161-E367 PolarHBondContact NE-OE1 3.15Å; R161-E367 IonicContact NE-OE2 3.5Å; R161-E367 PolarHBondContact NE-OE2 3.36Å; R161-E367 VanDerWaalsContact NE-OE2 3.07Å; R161-E367 IonicContact NH2-OE1 3.64Å; R161-E367 IonicContact NH2-OE2 3.95Å; R161-E367 PolarHBondContact NH2-OE2 2.88Å; R161-L519 HydrophobicContact CB-CD2 3.9Å; R161-L519 HydrophobicContact CG-CD2 4.18Å; R161-L519 PolarHBondContact NH2-O 2.84Å; R161-L519 VanDerWaalsContact NH2-O 3.17Å
162F97.6Very high96.2Very high2 Ų232.2 Ų32.21%0.00915%0.154CC..Hα-helixtrans-60.8-39.3173.7-87.2-78.3000112.4N158 A159 A165 A166 F198 I365 E367 M370 V385 H388 L389N158-F162 WeakPolarHBondContact O-CD2 3.27Å; N158-F162 PolarHBondContact O-N 3.07Å; N158-F162 WeakPolarHBondContact OD1-CE2 3.35Å; A159-F162 PolarHBondContact O-N 2.95Å; F162-A165 PolarHBondContact O-N 2.92Å; F162-A166 VanDerWaalsContact O-CB 3.31Å; F162-A166 WeakPolarHBondContact O-CB 3.32Å; F162-A166 PolarHBondContact O-N 3.25Å; F162-F198 HydrophobicContact CB-CE2 3.63Å; F162-F198 HydrophobicContact CB-CZ 3.87Å; F162-F198 HydrophobicContact CG-CE2 4.34Å; F162-F198 HydrophobicContact CG-CZ 4.21Å; F162-I365 HydrophobicContact CE1-CG2 4.35Å; F162-E367 HydrophobicContact CD2-CG 4.43Å; F162-E367 HydrophobicContact CE1-CG 4.26Å; F162-E367 HydrophobicContact CE2-CG 4.12Å; F162-E367 HydrophobicContact CZ-CG 4.03Å; F162-M370 HydrophobicContact CD1-CE 4Å; F162-M370 HydrophobicContact CD1-CG 3.95Å; F162-M370 HydrophobicContact CE1-CG 4.11Å; F162-V385 HydrophobicContact CD1-CG1 4.33Å; F162-V385 HydrophobicContact CD1-CG2 4.22Å; F162-V385 HydrophobicContact CE1-CG1 3.8Å; F162-V385 HydrophobicContact CE1-CG2 4.3Å; F162-V385 HydrophobicContact CE2-CG1 4.38Å; F162-V385 HydrophobicContact CZ-CG1 3.83Å; F162-H388 HydrophobicContact CZ-CB 4.12Å; F162-L389 HydrophobicContact CD2-CD1 3.81Å; F162-L389 HydrophobicContact CE2-CB 4.42Å; F162-L389 HydrophobicContact CE2-CD1 4.24Å
163R96.9Very high96.2Very high21 Ų2132.5 Ų32.58%0.07916%0.155CC..Hα-helixtrans-63-45.9173.1171.453.465.1-166.95.3111.8A159 A160 R161 A165 A166 G167 R170 L172 G197 D199A159-R163 PolarHBondContact O-N 3.28Å; A160-R163 PolarHBondContact O-N 3Å; R161-R163 VanDerWaalsContact C-N 3.32Å; R161-R163 PolarHBondContact O-N 3.32Å; R163-A165 VanDerWaalsContact C-N 3.28Å; R163-A165 PolarHBondContact O-N 3.32Å; R163-A166 PolarHBondContact O-N 2.89Å; R163-G167 WeakPolarHBondContact CD-O 3.08Å; R163-G167 PolarHBondContact NH1-O 2.94Å; R163-G167 PolarHBondContact O-N 3.42Å; R163-R170 PolarHBondContact NH1-O 3.01Å; R163-L172 HydrophobicContact CB-CD1 4.23Å; R163-G197 PolarHBondContact NE-O 2.94Å; R163-G197 PolarHBondContact NH2-O 3.35Å; R163-D199 IonicContact CZ-OD2 3.54Å; R163-D199 IonicContact NH2-OD1 2.64Å; R163-D199 PolarHBondContact NH2-OD1 2.93Å; R163-D199 IonicContact NH2-OD2 3.67Å; R163-D199 PolarHBondContact NH2-OD2 3.46Å
164L95.6Very high96.2Very high65 Ų6532.4 Ų32.434%0.3416%0.155SC..Hα-helixtrans-60.2-40.6175.8-72.4170.7000111.3F61 A160 R161 K517 L519F61-L164 HydrophobicContact CE1-CD1 4.14Å; F61-L164 HydrophobicContact CZ-CD1 4.06Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.25Å; A160-L164 PolarHBondContact O-N 3.02Å; R161-L164 PolarHBondContact O-N 2.87Å; L164-K517 HydrophobicContact CD1-CB 4.34Å; L164-L519 HydrophobicContact CB-CD2 4.2Å
165A95.2Very high96Very high11 Ų1134.4 Ų34.49%0.09117%0.165CC..Hα-helixtrans-64.7-50.4175.300000111.3R161 F162 R163 G167 M370 N374 L519R161-A165 WeakPolarHBondContact O-CB 3.36Å; R161-A165 PolarHBondContact O-N 3.27Å; F162-A165 PolarHBondContact O-N 2.92Å; R163-A165 VanDerWaalsContact C-N 3.28Å; R163-A165 PolarHBondContact O-N 3.32Å; A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 3.26Å; A165-M370 HydrophobicContact CB-CB 3.99Å; A165-N374 PolarHBondContact O-ND2 2.89Å; A165-L519 HydrophobicContact CB-CD1 3.63Å
166A94.6Very high95.9Very high4 Ų434.4 Ų34.43%0.03317%0.165CC..Hα-helixtrans-71.2-21.2-174.900000114.4F162 R163 L172 M370F162-A166 VanDerWaalsContact O-CB 3.31Å; F162-A166 WeakPolarHBondContact O-CB 3.32Å; F162-A166 PolarHBondContact O-N 3.25Å; R163-A166 PolarHBondContact O-N 2.89Å; A166-L172 HydrophobicContact CB-CD1 4.05Å; A166-L172 HydrophobicContact CB-CD2 3.74Å; A166-L172 HydrophobicContact CB-CG 4.18Å; A166-M370 HydrophobicContact CB-CE 4.01Å
167G92.3Very high95.7Very high27 Ų2737.9 Ų37.928%0.27818%0.183SC..THydrogen-bonded Turntrans74.1-170.8-17100000112.8R163 A165R163-G167 WeakPolarHBondContact CD-O 3.08Å; R163-G167 PolarHBondContact NH1-O 2.94Å; R163-G167 PolarHBondContact O-N 3.42Å; A165-G167 VanDerWaalsContact C-N 3.28Å; A165-G167 PolarHBondContact O-N 3.26Å
168H88.7Confident95.4Very high172 Ų17247.7 Ų47.780%0.79622%0.22SC*.THydrogen-bonded Turntrans-89.4-16.6-175.1-60.4-71.6000114.3
169Q88.4Confident95.3Very high191 Ų19155.2 Ų55.289%0.89325%0.248SC*.THydrogen-bonded Turntrans-82.1-35.5-172.1-66.9179.1-1100113.2
170R93.2Very high95.1Very high49 Ų4956.1 Ų56.119%0.18526%0.255CS..SBendtrans-84.5140.2-178.3-63.3-170.6-177.294.9-8.7110.9R163 N374R163-R170 PolarHBondContact NH1-O 3.01Å; R170-N374 PolarHBondContact NH1-OD1 3.29Å
171R97.1Very high94.8Very high113 Ų11361.1 Ų61.143%0.42628%0.278SS..EExtended strand (participates in β ladder)trans-79.4139.4169.7-68.2-167.7-70.4180-2.9110.2D199 N381 V382 I383R171-D199 VanDerWaalsContact CA-OD2 3.23Å; R171-D199 WeakPolarHBondContact CA-OD2 3.45Å; R171-N381 PolarHBondContact N-O 3.39Å; R171-N381 VanDerWaalsContact N-O 3.12Å; R171-V382 HydrophobicContact CB-CB 4.48Å; R171-V382 HydrophobicContact CB-CG1 4.16Å; R171-V382 HydrophobicContact CB-CG2 4.13Å; R171-V382 WeakPolarHBondContact O-CA 3.5Å; R171-I383 PolarHBondContact O-N 2.78Å
172L98.1Very high94.4Very high0 Ų063.2 Ų63.20%030%0.303CS..EExtended strand (participates in β ladder)trans-111.1132.9177.3-67.1-176.8000110.7R163 A166 F198 D199 L200 M370 I383R163-L172 HydrophobicContact CB-CD1 4.23Å; A166-L172 HydrophobicContact CB-CD1 4.05Å; A166-L172 HydrophobicContact CB-CD2 3.74Å; A166-L172 HydrophobicContact CB-CG 4.18Å; L172-F198 HydrophobicContact CB-CB 4.4Å; L172-F198 HydrophobicContact CB-CD1 3.65Å; L172-F198 HydrophobicContact CB-CD2 4.27Å; L172-F198 HydrophobicContact CB-CE1 3.84Å; L172-F198 HydrophobicContact CB-CE2 4.44Å; L172-F198 HydrophobicContact CB-CG 3.88Å; L172-F198 HydrophobicContact CB-CZ 4.23Å; L172-F198 HydrophobicContact CD1-CD2 4.1Å; L172-F198 HydrophobicContact CD1-CE2 3.86Å; L172-F198 HydrophobicContact CD1-CZ 4.08Å; L172-D199 PolarHBondContact N-OD2 3.19Å; L172-D199 PolarHBondContact O-N 3.13Å; L172-L200 PolarHBondContact O-N 2.76Å; L172-L200 VanDerWaalsContact O-N 3.13Å; L172-M370 HydrophobicContact CD2-CE 3.61Å; L172-I383 HydrophobicContact CD2-CB 4.03Å
173L97.8Very high93.6Very high5 Ų569.1 Ų69.13%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-125121.2-175.8172.254.2000110.4M175 L200 A215 V382 I383 G384 V385L173-M175 HydrophobicContact CD1-CE 3.91Å; L173-M175 HydrophobicContact CD1-CG 4.38Å; L173-M175 HydrophobicContact CD2-CE 3.3Å; L173-M175 HydrophobicContact CD2-CG 4.27Å; L173-M175 HydrophobicContact CG-CE 3.67Å; L173-M175 HydrophobicContact CG-CG 3.79Å; L173-L200 HydrophobicContact CB-CB 4.3Å; L173-L200 HydrophobicContact CD1-CB 3.46Å; L173-L200 VanDerWaalsContact CD1-CB 3.46Å; L173-L200 HydrophobicContact CD1-CD1 4.49Å; L173-L200 HydrophobicContact CG-CB 4.41Å; L173-A215 HydrophobicContact CD1-CB 4.18Å; L173-V382 HydrophobicContact CB-CG1 4.01Å; L173-V382 HydrophobicContact CD2-CG1 4.42Å; L173-I383 PolarHBondContact N-O 3.49Å; L173-G384 CarbonylContact O-C 3.53Å; L173-G384 VanDerWaalsContact O-CA 3.27Å; L173-G384 WeakPolarHBondContact O-CA 3.38Å; L173-V385 PolarHBondContact O-N 3.49Å
174E97.8Very high93.1Very high0 Ų070.4 Ų70.40%035%0.35CS..EExtended strand (participates in β ladder)trans-82.6118.2177-176.6-82.6123.700110.2G176 L177 S190 T193 F198 L200 T201 S202 L389 V390E174-G176 WeakPolarHBondContact OE1-CA 3.15Å; E174-G176 PolarHBondContact OE1-N 3.38Å; E174-L177 PolarHBondContact OE1-N 3.31Å; E174-S190 WeakPolarHBondContact OE2-CB 3.44Å; E174-S190 PolarHBondContact OE2-OG 2.93Å; E174-T193 HydrophobicContact CG-CG2 4.19Å; E174-F198 HydrophobicContact CB-CD1 3.99Å; E174-L200 PolarHBondContact N-O 3.27Å; E174-T201 PolarHBondContact OE2-OG1 3.28Å; E174-S202 PolarHBondContact O-N 3.35Å; E174-S202 PolarHBondContact O-OG 3.38Å; E174-S202 VanDerWaalsContact O-OG 3.13Å; E174-L389 HydrophobicContact CB-CD2 4.08Å; E174-L389 HydrophobicContact CG-CD2 3.74Å; E174-V390 HydrophobicContact CG-CG1 4.09Å
175M95.3Very high92.8Very high42 Ų4267.6 Ų67.621%0.20734%0.337CS..  trans-128.123.4-173.5-76.7-86.1-178.500112.1L173 S202 V385L173-M175 HydrophobicContact CD1-CE 3.91Å; L173-M175 HydrophobicContact CD1-CG 4.38Å; L173-M175 HydrophobicContact CD2-CE 3.3Å; L173-M175 HydrophobicContact CD2-CG 4.27Å; L173-M175 HydrophobicContact CG-CE 3.67Å; L173-M175 HydrophobicContact CG-CG 3.79Å; M175-S202 WeakPolarHBondContact SD-CB 3.36Å; M175-V385 PolarHBondContact N-O 3.19Å
176G95.2Very high92.8Very high0 Ų067.2 Ų67.20%034%0.335CS..  trans-92.8-11.3-170.700000115E174 R178 R179 A180 V390E174-G176 WeakPolarHBondContact OE1-CA 3.15Å; E174-G176 PolarHBondContact OE1-N 3.38Å; G176-R178 PolarHBondContact O-N 2.85Å; G176-R179 WeakPolarHBondContact O-CA 3.33Å; G176-R179 PolarHBondContact O-N 3.14Å; G176-A180 PolarHBondContact O-N 3.1Å; G176-V390 WeakPolarHBondContact O-CG2 3.32Å
177L94.6Very high92.8Very high74 Ų7467.2 Ų67.239%0.38733%0.334SS..G310 helixtrans-39.1-48.7-175.1178.657.7000114.3E174 R179 A180 G186 N203E174-L177 PolarHBondContact OE1-N 3.31Å; L177-R179 PolarHBondContact O-N 3.38Å; L177-R179 VanDerWaalsContact O-N 3.12Å; L177-A180 WeakPolarHBondContact O-CB 3.41Å; L177-A180 PolarHBondContact O-N 3.45Å; L177-G186 VanDerWaalsContact CD1-CA 3.46Å; L177-N203 HydrophobicContact CD2-CB 4.06Å
178R93.1Very high92.9Very high209 Ų20966.8 Ų66.879%0.78933%0.326SS*.G310 helixtrans-67.1-9.8-178.172.9-178.269.1-163.1-1.9115.7G176G176-R178 PolarHBondContact O-N 2.85Å
179R95Very high93.3Very high162 Ų16258.6 Ų58.661%0.61129%0.288SS*.G310 helixtrans-118.2-5.6178.6-61.8-61.4-167.2136.92.1112.3G176 L177 T387 T391G176-R179 WeakPolarHBondContact O-CA 3.33Å; G176-R179 PolarHBondContact O-N 3.14Å; L177-R179 PolarHBondContact O-N 3.38Å; L177-R179 VanDerWaalsContact O-N 3.12Å; R179-T387 HydrophobicContact CB-CG2 4.39Å; R179-T391 HydrophobicContact CB-CG2 4.45Å; R179-T391 WeakPolarHBondContact O-CG2 3.49Å
180A95.1Very high93.7Very high18 Ų1849.5 Ų49.515%0.14925%0.245CC..SBendtrans-62.7152.7179.300000111G176 L177 G186 V390G176-A180 PolarHBondContact O-N 3.1Å; L177-A180 WeakPolarHBondContact O-CB 3.41Å; L177-A180 PolarHBondContact O-N 3.45Å; A180-G186 VanDerWaalsContact CB-CA 3.44Å; A180-G186 VanDerWaalsContact CB-N 3.32Å; A180-V390 HydrophobicContact CB-CB 4.35Å; A180-V390 HydrophobicContact CB-CG2 4.08Å
181Q92.8Very high93.9Very high107 Ų10747.4 Ų47.450%0.524%0.238SC..SBendtrans-89.5118-169.8-67.8175.5-2500111.4G185 T391Q181-G185 VanDerWaalsContact O-CA 3.24Å; Q181-G185 WeakPolarHBondContact O-CA 3.45Å; Q181-G185 PolarHBondContact O-N 3.01Å; Q181-T391 HydrophobicContact CG-CG2 4.47Å
182G87.8Confident93.9Very high55 Ų5542 Ų4257%0.56722%0.217SC*.Hα-helixtrans78.3174.6179.700000113.9D184G182-D184 PolarHBondContact O-N 2.94Å
183P80.6Confident94Very high127 Ų12742.1 Ų42.183%0.82522%0.218SC*.Hα-helixtrans-61.3-31.3-178.324.3-33.2000112.6
184D86.7Confident94Very high47 Ų4742.8 Ų42.825%0.25122%0.221SC..Hα-helixtrans-102.3-16.3-173.2-59.2-33.5000114.3R19 G182 G186 L187 T188R19-D184 WeakPolarHBondContact CA-OD2 3.32Å; R19-D184 HydrophobicContact CB-CB 4.46Å; R19-D184 WeakPolarHBondContact CB-OD2 3.45Å; R19-D184 WeakPolarHBondContact CD-OD1 3.39Å; R19-D184 HydrophobicContact CG-CB 4.32Å; R19-D184 WeakPolarHBondContact CG-OD1 3.5Å; R19-D184 WeakPolarHBondContact CG-OD2 3.45Å; G182-D184 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact O-N 2.93Å; D184-L187 PolarHBondContact O-N 3.09Å; D184-T188 WeakPolarHBondContact O-CB 3.43Å; D184-T188 PolarHBondContact O-N 3.49Å; D184-T188 PolarHBondContact O-OG1 3.16Å
185G90.1Very high94Very high7 Ų742.9 Ų42.97%0.07222%0.221CC..Hα-helixtrans-57.7-34.4-178.300000111.9Y151 Q181 A189Y151-G185 PolarHBondContact OH-O 2.84Å; Q181-G185 VanDerWaalsContact O-CA 3.24Å; Q181-G185 WeakPolarHBondContact O-CA 3.45Å; Q181-G185 PolarHBondContact O-N 3.01Å; G185-A189 WeakPolarHBondContact O-CB 3.3Å; G185-A189 PolarHBondContact O-N 3.16Å
186G94.1Very high94.2Very high3 Ų340.9 Ų40.93%0.03121%0.211CC..Hα-helixtrans-63.4-51.7176.600000113.6L177 A180 D184 A189 S190 N203L177-G186 VanDerWaalsContact CD1-CA 3.46Å; A180-G186 VanDerWaalsContact CB-CA 3.44Å; A180-G186 VanDerWaalsContact CB-N 3.32Å; D184-G186 PolarHBondContact O-N 2.93Å; G186-A189 PolarHBondContact O-N 3.32Å; G186-S190 PolarHBondContact O-N 2.89Å; G186-S190 PolarHBondContact O-OG 3.29Å; G186-N203 PolarHBondContact O-ND2 3.32Å
187L94.4Very high94.3Very high3 Ų340.9 Ų40.92%0.01621%0.212CC..Hα-helixtrans-65.8-46.1-178.8-177.863.2000111.5D184 S190 R191 Q205 A206 L209 F210D184-L187 PolarHBondContact O-N 3.09Å; L187-S190 PolarHBondContact O-N 3.49Å; L187-R191 PolarHBondContact O-N 3.35Å; L187-Q205 HydrophobicContact CD1-CB 4.2Å; L187-Q205 HydrophobicContact CD1-CG 3.99Å; L187-A206 HydrophobicContact CD1-CB 3.99Å; L187-L209 HydrophobicContact CD1-CD1 4.11Å; L187-L209 HydrophobicContact CD2-CD1 3.76Å; L187-F210 HydrophobicContact CD1-CD2 4.33Å; L187-F210 HydrophobicContact CD1-CE2 3.51Å; L187-F210 HydrophobicContact CD1-CZ 4.15Å; L187-F210 HydrophobicContact CD2-CZ 4.48Å; L187-F210 HydrophobicContact CG-CE2 3.86Å; L187-F210 HydrophobicContact CG-CZ 4.16Å
188T94.6Very high94.4Very high18 Ų1837.4 Ų37.411%0.1119%0.193CC..Hα-helixtrans-62.1-45.2177.7-63.10000110.8R19 Y151 D184 R191 Y192R19-T188 PolarHBondContact NH1-OG1 2.73Å; Y151-T188 HydrophobicContact CD1-CG2 3.54Å; Y151-T188 HydrophobicContact CE1-CG2 3.89Å; D184-T188 WeakPolarHBondContact O-CB 3.43Å; D184-T188 PolarHBondContact O-N 3.49Å; D184-T188 PolarHBondContact O-OG1 3.16Å; T188-R191 PolarHBondContact O-N 2.91Å; T188-Y192 HydrophobicContact CG2-CD2 3.63Å; T188-Y192 HydrophobicContact CG2-CE2 3.74Å; T188-Y192 WeakPolarHBondContact O-CD2 3.25Å; T188-Y192 PolarHBondContact O-N 3.27Å; T188-Y192 VanDerWaalsContact O-N 3.11Å
189A96.9Very high94.7Very high0 Ų029.2 Ų29.20%017%0.165CC..Hα-helixtrans-62-47.5178.100000112.2Y151 V155 G185 G186 R191 Y192 T193 V390Y151-A189 HydrophobicContact CE1-CB 4.37Å; V155-A189 HydrophobicContact CG1-CB 4.23Å; G185-A189 WeakPolarHBondContact O-CB 3.3Å; G185-A189 PolarHBondContact O-N 3.16Å; G186-A189 PolarHBondContact O-N 3.32Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 PolarHBondContact O-N 2.68Å; A189-Y192 PolarHBondContact O-N 3.31Å; A189-T193 WeakPolarHBondContact O-CB 3.44Å; A189-T193 WeakPolarHBondContact O-CG2 3.3Å; A189-T193 PolarHBondContact O-N 3.4Å; A189-T193 PolarHBondContact O-OG1 3.47Å; A189-V390 HydrophobicContact CB-CB 3.87Å; A189-V390 HydrophobicContact CB-CG1 3.8Å
190S97.6Very high94.8Very high0 Ų022.9 Ų22.90%014%0.143CC..Hα-helixtrans-59.1-38-179.8-58.80000112.1E174 G186 L187 T193 H194 T201 N203 A206E174-S190 WeakPolarHBondContact OE2-CB 3.44Å; E174-S190 PolarHBondContact OE2-OG 2.93Å; G186-S190 PolarHBondContact O-N 2.89Å; G186-S190 PolarHBondContact O-OG 3.29Å; L187-S190 PolarHBondContact O-N 3.49Å; S190-T193 WeakPolarHBondContact CA-OG1 3.44Å; S190-T193 PolarHBondContact O-OG1 2.81Å; S190-T193 VanDerWaalsContact O-OG1 3.1Å; S190-H194 WeakPolarHBondContact O-CB 3.24Å; S190-H194 PolarHBondContact O-N 2.91Å; S190-T201 PolarHBondContact OG-OG1 3.06Å; S190-N203 WeakPolarHBondContact OG-CB 3.4Å; S190-N203 PolarHBondContact OG-ND2 2.89Å; S190-N203 VanDerWaalsContact OG-ND2 3.11Å; S190-A206 VanDerWaalsContact CB-CB 3.48Å
191R97.3Very high95Very high6 Ų622.1 Ų22.12%0.02314%0.137CC..Hα-helixtrans-63-54.6174.6-170.5-174.4-176.7178.35.3112.2N68 D69 L187 T188 A189 H194 I195 F210N68-R191 PolarHBondContact ND2-NH2 3.03Å; D69-R191 IonicContact OD1-CZ 3.12Å; D69-R191 IonicContact OD1-NH1 3.07Å; D69-R191 PolarHBondContact OD1-NH1 3.23Å; D69-R191 IonicContact OD2-NH1 3.03Å; D69-R191 PolarHBondContact OD2-NH1 3.4Å; L187-R191 PolarHBondContact O-N 3.35Å; T188-R191 PolarHBondContact O-N 2.91Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 PolarHBondContact O-N 2.68Å; R191-H194 PolarHBondContact O-N 3.46Å; R191-I195 HydrophobicContact CG-CD1 4.03Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 2.72Å; R191-I195 VanDerWaalsContact O-N 3.1Å; R191-F210 HydrophobicContact CB-CD2 3.77Å; R191-F210 HydrophobicContact CB-CE2 3.67Å; R191-F210 HydrophobicContact CB-CG 4.49Å; R191-F210 HydrophobicContact CB-CZ 4.32Å; R191-F210 HydrophobicContact CG-CD1 4.43Å; R191-F210 HydrophobicContact CG-CD2 3.93Å; R191-F210 HydrophobicContact CG-CE2 4.03Å; R191-F210 HydrophobicContact CG-CG 4.14Å; R191-F210 HydrophobicContact CG-CZ 4.34Å
192Y98.2Very high95.1Very high0 Ų018.6 Ų18.60%012%0.124CC..Hα-helixtrans-79.4-23-170.7-67.1-62.2000113.1A65 G66 D69 E118 A152 C156 T188 A189 I195 G196A65-Y192 HydrophobicContact CB-CD1 3.59Å; A65-Y192 HydrophobicContact CB-CE1 3.76Å; A65-Y192 HydrophobicContact CB-CG 4.38Å; G66-Y192 WeakPolarHBondContact CA-OH 3.27Å; D69-Y192 PolarHBondContact OD2-OH 2.86Å; E118-Y192 VanDerWaalsContact OE1-CE1 3.3Å; E118-Y192 WeakPolarHBondContact OE1-CE1 3.45Å; A152-Y192 HydrophobicContact CB-CD1 4.17Å; A152-Y192 HydrophobicContact CB-CD2 3.42Å; A152-Y192 VanDerWaalsContact CB-CD2 3.42Å; A152-Y192 HydrophobicContact CB-CE1 4.08Å; A152-Y192 HydrophobicContact CB-CE2 3.31Å; A152-Y192 HydrophobicContact CB-CG 3.87Å; C156-Y192 WeakPolarHBondContact CA-O 3.29Å; T188-Y192 HydrophobicContact CG2-CD2 3.63Å; T188-Y192 HydrophobicContact CG2-CE2 3.74Å; T188-Y192 WeakPolarHBondContact O-CD2 3.25Å; T188-Y192 PolarHBondContact O-N 3.27Å; T188-Y192 VanDerWaalsContact O-N 3.11Å; A189-Y192 PolarHBondContact O-N 3.31Å; Y192-I195 HydrophobicContact CD1-CD1 3.75Å; Y192-I195 HydrophobicContact CE1-CD1 3.96Å; Y192-G196 PolarHBondContact O-N 2.85Å
193T98.3Very high95.6Very high1 Ų116.2 Ų16.21%0.00610%0.098CC..Hα-helixtrans-67.4-41.4167.753.40000111.9V155 A159 E174 A189 S190 G196 G197 F198 L389V155-T193 HydrophobicContact CG1-CG2 3.36Å; A159-T193 HydrophobicContact CB-CG2 4.22Å; E174-T193 HydrophobicContact CG-CG2 4.19Å; A189-T193 WeakPolarHBondContact O-CB 3.44Å; A189-T193 WeakPolarHBondContact O-CG2 3.3Å; A189-T193 PolarHBondContact O-N 3.4Å; A189-T193 PolarHBondContact O-OG1 3.47Å; S190-T193 WeakPolarHBondContact CA-OG1 3.44Å; S190-T193 PolarHBondContact O-OG1 2.81Å; S190-T193 VanDerWaalsContact O-OG1 3.1Å; T193-G196 PolarHBondContact O-N 3.05Å; T193-G197 PolarHBondContact O-N 2.98Å; T193-F198 WeakPolarHBondContact O-CB 3.47Å; T193-F198 PolarHBondContact O-N 3.43Å; T193-L389 HydrophobicContact CG2-CD1 3.8Å; T193-L389 HydrophobicContact CG2-CD2 3.59Å; T193-L389 HydrophobicContact CG2-CG 3.53Å
194H98.4Very high96.3Very high20 Ų2015.2 Ų15.29%0.0939%0.089CC..Hα-helixtrans-62-44.9174.5178.778000111.9S190 R191 G196 G197 F198 I212 R502S190-H194 WeakPolarHBondContact O-CB 3.24Å; S190-H194 PolarHBondContact O-N 2.91Å; R191-H194 PolarHBondContact O-N 3.46Å; H194-G196 VanDerWaalsContact C-N 3.34Å; H194-G196 PolarHBondContact O-N 3.44Å; H194-G197 PolarHBondContact O-N 3.02Å; H194-F198 WeakPolarHBondContact CA-O 3.47Å; H194-F198 PolarHBondContact ND1-O 2.93Å; H194-F198 VanDerWaalsContact ND1-O 3.09Å; H194-I212 HydrophobicContact CB-CD1 3.86Å; H194-I212 HydrophobicContact CB-CG1 4.11Å; H194-I212 HydrophobicContact CB-CG2 4.01Å; H194-R502 PolarHBondContact CE1-NH1 2.77Å; H194-R502 PolarHBondContact ND1-NH1 3.32Å; H194-R502 VanDerWaalsContact ND1-NH1 3.13Å; H194-R502 WeakPolarHBondContact O-CD 3.29Å; H194-R502 PolarHBondContact O-NH1 3.07Å; H194-R502 VanDerWaalsContact O-NH1 3.1Å
195I98.5Very high96.7Very high1 Ų117.9 Ų17.91%0.00510%0.101CC..Hα-helixtrans-60.9-42.9175.6-70.8167.5000111.1R191 Y192 G197 A498 T501 V505R191-I195 HydrophobicContact CG-CD1 4.03Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 2.72Å; R191-I195 VanDerWaalsContact O-N 3.1Å; Y192-I195 HydrophobicContact CD1-CD1 3.75Å; Y192-I195 HydrophobicContact CE1-CD1 3.96Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 2.9Å; I195-A498 HydrophobicContact CD1-CB 4.45Å; I195-A498 HydrophobicContact CG1-CB 4.32Å; I195-T501 HydrophobicContact CD1-CG2 4.09Å; I195-T501 HydrophobicContact CG1-CG2 4.45Å; I195-T501 HydrophobicContact CG2-CG2 3.77Å; I195-V505 HydrophobicContact CG2-CG2 3.67Å
196G98.1Very high96.9Very high0 Ų017.6 Ų17.60%010%0.097CC..Hα-helixtrans-70.2-19.6179.200000114.7A160 Y192 T193 H194A160-G196 VanDerWaalsContact CA-O 3.27Å; A160-G196 WeakPolarHBondContact CA-O 3.3Å; A160-G196 PolarHBondContact N-O 2.82Å; Y192-G196 PolarHBondContact O-N 2.85Å; T193-G196 PolarHBondContact O-N 3.05Å; H194-G196 VanDerWaalsContact C-N 3.34Å; H194-G196 PolarHBondContact O-N 3.44Å
197G97.4Very high97Very high1 Ų118.1 Ų18.11%0.0110%0.103CC..THydrogen-bonded Turntrans140.56.3169.500000117.1R163 T193 H194 I195R163-G197 PolarHBondContact NE-O 2.94Å; R163-G197 PolarHBondContact NH2-O 3.35Å; T193-G197 PolarHBondContact O-N 2.98Å; H194-G197 PolarHBondContact O-N 3.02Å; I195-G197 VanDerWaalsContact C-N 3.29Å; I195-G197 PolarHBondContact O-N 2.9Å
198F98.3Very high96.9Very high1 Ų125.4 Ų25.40%0.00414%0.135CC..  trans-77.5137.7174.8-86.2-117.5000111.7A159 F162 L172 E174 T193 H194 V385 L389 R502A159-F198 HydrophobicContact CB-CD2 3.86Å; A159-F198 HydrophobicContact CB-CE2 4.09Å; F162-F198 HydrophobicContact CB-CE2 3.63Å; F162-F198 HydrophobicContact CB-CZ 3.87Å; F162-F198 HydrophobicContact CG-CE2 4.34Å; F162-F198 HydrophobicContact CG-CZ 4.21Å; L172-F198 HydrophobicContact CB-CB 4.4Å; L172-F198 HydrophobicContact CB-CD1 3.65Å; L172-F198 HydrophobicContact CB-CD2 4.27Å; L172-F198 HydrophobicContact CB-CE1 3.84Å; L172-F198 HydrophobicContact CB-CE2 4.44Å; L172-F198 HydrophobicContact CB-CG 3.88Å; L172-F198 HydrophobicContact CB-CZ 4.23Å; L172-F198 HydrophobicContact CD1-CD2 4.1Å; L172-F198 HydrophobicContact CD1-CE2 3.86Å; L172-F198 HydrophobicContact CD1-CZ 4.08Å; E174-F198 HydrophobicContact CB-CD1 3.99Å; T193-F198 WeakPolarHBondContact O-CB 3.47Å; T193-F198 PolarHBondContact O-N 3.43Å; H194-F198 WeakPolarHBondContact CA-O 3.47Å; H194-F198 PolarHBondContact ND1-O 2.93Å; H194-F198 VanDerWaalsContact ND1-O 3.09Å; F198-V385 HydrophobicContact CE1-CB 3.88Å; F198-V385 HydrophobicContact CE1-CG2 3.89Å; F198-V385 HydrophobicContact CZ-CB 4Å; F198-V385 HydrophobicContact CZ-CG2 3.87Å; F198-L389 HydrophobicContact CD1-CD2 3.83Å; F198-L389 HydrophobicContact CD2-CD1 4.44Å; F198-L389 HydrophobicContact CD2-CD2 4.3Å; F198-L389 HydrophobicContact CE1-CD2 3.38Å; F198-L389 HydrophobicContact CE2-CD1 3.73Å; F198-L389 HydrophobicContact CE2-CD2 3.89Å; F198-L389 HydrophobicContact CE2-CG 4.48Å; F198-L389 HydrophobicContact CG-CD2 4.28Å; F198-L389 HydrophobicContact CZ-CD1 3.85Å; F198-L389 HydrophobicContact CZ-CD2 3.42Å; F198-L389 VanDerWaalsContact CZ-CD2 3.42Å; F198-L389 HydrophobicContact CZ-CG 4.23Å; F198-R502 PolarHBondContact O-NH1 2.83Å
199D98.2Very high96.7Very high36 Ų3625.7 Ų25.719%0.19314%0.136CC..  trans-84.1-33.3-170.6-53.6-50.6000112.7R163 R171 L172 R502R163-D199 IonicContact CZ-OD2 3.54Å; R163-D199 IonicContact NH2-OD1 2.64Å; R163-D199 PolarHBondContact NH2-OD1 2.93Å; R163-D199 IonicContact NH2-OD2 3.67Å; R163-D199 PolarHBondContact NH2-OD2 3.46Å; R171-D199 VanDerWaalsContact CA-OD2 3.23Å; R171-D199 WeakPolarHBondContact CA-OD2 3.45Å; L172-D199 PolarHBondContact N-OD2 3.19Å; L172-D199 PolarHBondContact O-N 3.13Å; D199-R502 IonicContact OD1-CZ 3.1Å; D199-R502 IonicContact OD1-NH2 3.09Å; D199-R502 PolarHBondContact OD1-NH2 2.85Å
200L97.8Very high96.5Very high30 Ų3026.8 Ų26.816%0.15714%0.14CC..EExtended strand (participates in β ladder)trans-135.1156.2-170.6-53.1170.8000110.3L172 L173 E174 P213 A215L172-L200 PolarHBondContact O-N 2.76Å; L172-L200 VanDerWaalsContact O-N 3.13Å; L173-L200 HydrophobicContact CB-CB 4.3Å; L173-L200 HydrophobicContact CD1-CB 3.46Å; L173-L200 VanDerWaalsContact CD1-CB 3.46Å; L173-L200 HydrophobicContact CD1-CD1 4.49Å; L173-L200 HydrophobicContact CG-CB 4.41Å; E174-L200 PolarHBondContact N-O 3.27Å; L200-P213 WeakPolarHBondContact CA-O 3.46Å; L200-P213 HydrophobicContact CD2-CB 3.67Å; L200-A215 HydrophobicContact CB-CB 4.13Å; L200-A215 HydrophobicContact CD1-CB 3.82Å; L200-A215 HydrophobicContact CD2-CB 4.41Å; L200-A215 HydrophobicContact CG-CB 4.34Å
201T98Very high96.3Very high1 Ų129.8 Ų29.81%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-130.5151.9169-178.30000111.3E174 S190 N203 A206 I212 P213 V214 A215E174-T201 PolarHBondContact OE2-OG1 3.28Å; S190-T201 PolarHBondContact OG-OG1 3.06Å; T201-N203 VanDerWaalsContact C-N 3.33Å; T201-N203 HydrophobicContact CG2-CB 4.46Å; T201-N203 WeakPolarHBondContact OG1-CB 3.44Å; T201-N203 PolarHBondContact OG1-N 3.46Å; T201-A206 HydrophobicContact CG2-CB 4.36Å; T201-I212 HydrophobicContact CG2-CB 4.13Å; T201-I212 HydrophobicContact CG2-CG2 3.54Å; T201-P213 PolarHBondContact N-O 3.5Å; T201-V214 HydrophobicContact CG2-CG2 4.41Å; T201-V214 CarbonylContact O-C 3.54Å; T201-V214 VanDerWaalsContact O-CA 3.23Å; T201-V214 WeakPolarHBondContact O-CA 3.4Å; T201-A215 PolarHBondContact O-N 3.35Å
202S96.6Very high96.3Very high33 Ų3329.7 Ų29.723%0.23117%0.171CC..SBendtrans-82.8-11.1166.460.40000113.7E174 M175 V204 A215E174-S202 PolarHBondContact O-N 3.35Å; E174-S202 PolarHBondContact O-OG 3.38Å; E174-S202 VanDerWaalsContact O-OG 3.13Å; M175-S202 WeakPolarHBondContact SD-CB 3.36Å; S202-V204 PolarHBondContact O-N 2.98Å; S202-A215 WeakPolarHBondContact CA-O 3.46Å
203N97.1Very high96.2Very high5 Ų532.7 Ų32.73%0.02719%0.191CC..  trans-81.2103.3-175.3-174.8-15.2000111.3L177 G186 S190 T201 Q205 A206 G207L177-N203 HydrophobicContact CD2-CB 4.06Å; G186-N203 PolarHBondContact O-ND2 3.32Å; S190-N203 WeakPolarHBondContact OG-CB 3.4Å; S190-N203 PolarHBondContact OG-ND2 2.89Å; S190-N203 VanDerWaalsContact OG-ND2 3.11Å; T201-N203 VanDerWaalsContact C-N 3.33Å; T201-N203 HydrophobicContact CG2-CB 4.46Å; T201-N203 WeakPolarHBondContact OG1-CB 3.44Å; T201-N203 PolarHBondContact OG1-N 3.46Å; N203-Q205 VanDerWaalsContact C-N 3.28Å; N203-Q205 PolarHBondContact O-N 3.37Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.37Å; N203-Q205 PolarHBondContact OD1-N 3.23Å; N203-A206 HydrophobicContact CB-CB 3.99Å; N203-A206 PolarHBondContact O-N 3.16Å; N203-A206 PolarHBondContact OD1-N 2.94Å; N203-G207 PolarHBondContact O-N 2.99Å; N203-G207 VanDerWaalsContact O-N 3.11Å
204V96.6Very high96.2Very high106 Ų10636.1 Ų36.164%0.64221%0.211SC*.Hα-helixtrans-59.5-38-180-178.80000112S202 A206 G207 F208 V214S202-V204 PolarHBondContact O-N 2.98Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.47Å; V204-G207 PolarHBondContact O-N 3.5Å; V204-F208 PolarHBondContact O-N 2.91Å; V204-V214 HydrophobicContact CG2-CG1 4.38Å
205Q93.8Very high96Very high104 Ų10436.6 Ų36.649%0.48622%0.218SC..Hα-helixtrans-66.7-37.9179.3-168.7-174.927.600111.4L187 N203 G207 F208 L209L187-Q205 HydrophobicContact CD1-CB 4.2Å; L187-Q205 HydrophobicContact CD1-CG 3.99Å; N203-Q205 VanDerWaalsContact C-N 3.28Å; N203-Q205 PolarHBondContact O-N 3.37Å; N203-Q205 WeakPolarHBondContact OD1-CB 3.37Å; N203-Q205 PolarHBondContact OD1-N 3.23Å; Q205-G207 VanDerWaalsContact C-N 3.34Å; Q205-F208 PolarHBondContact O-N 3.16Å; Q205-L209 HydrophobicContact CG-CD1 3.97Å; Q205-L209 HydrophobicContact CG-CG 4.42Å; Q205-L209 WeakPolarHBondContact O-CB 3.32Å; Q205-L209 PolarHBondContact O-N 3.31Å
206A95Very high95.2Very high0 Ų039.3 Ų39.30%025%0.247CC..Hα-helixtrans-65.9-37.8174.100000111.7L187 S190 T201 N203 V204 F210 I212L187-A206 HydrophobicContact CD1-CB 3.99Å; S190-A206 VanDerWaalsContact CB-CB 3.48Å; T201-A206 HydrophobicContact CG2-CB 4.36Å; N203-A206 HydrophobicContact CB-CB 3.99Å; N203-A206 PolarHBondContact O-N 3.16Å; N203-A206 PolarHBondContact OD1-N 2.94Å; V204-A206 VanDerWaalsContact C-N 3.34Å; V204-A206 PolarHBondContact O-N 3.47Å; A206-F210 HydrophobicContact CB-CD2 3.97Å; A206-F210 HydrophobicContact CB-CE2 4.41Å; A206-F210 WeakPolarHBondContact O-CA 3.26Å; A206-F210 VanDerWaalsContact O-CB 3.29Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; A206-F210 PolarHBondContact O-N 3.01Å; A206-I212 HydrophobicContact CB-CD1 4.21Å
207G95.6Very high94.7Very high15 Ų1540.7 Ų40.716%0.15526%0.255CS..Hα-helixtrans-60.9-43.9171.600000112.9N203 V204 Q205 G211 I212N203-G207 PolarHBondContact O-N 2.99Å; N203-G207 VanDerWaalsContact O-N 3.11Å; V204-G207 PolarHBondContact O-N 3.5Å; Q205-G207 VanDerWaalsContact C-N 3.34Å; G207-G211 VanDerWaalsContact O-CA 3.32Å; G207-G211 WeakPolarHBondContact O-CA 3.34Å; G207-G211 PolarHBondContact O-N 2.83Å; G207-I212 VanDerWaalsContact CA-O 3.32Å; G207-I212 WeakPolarHBondContact CA-O 3.35Å
208F92.8Very high94.4Very high156 Ų15641 Ų4168%0.68426%0.257SS*.Hα-helixtrans-65.6-47.5178.7178-104.7000112.9V204 Q205V204-F208 PolarHBondContact O-N 2.91Å; Q205-F208 PolarHBondContact O-N 3.16Å
209L91.3Very high94.3Very high24 Ų2442.6 Ų42.613%0.12627%0.27CS..Hα-helixtrans-81.9-34.1-174.8-68.4176.5000113.7L11 L187 Q205L11-L209 HydrophobicContact CB-CD2 4.46Å; L187-L209 HydrophobicContact CD1-CD1 4.11Å; L187-L209 HydrophobicContact CD2-CD1 3.76Å; Q205-L209 HydrophobicContact CG-CD1 3.97Å; Q205-L209 HydrophobicContact CG-CG 4.42Å; Q205-L209 WeakPolarHBondContact O-CB 3.32Å; Q205-L209 PolarHBondContact O-N 3.31Å
210F92.5Very high94.2Very high23 Ų2343.5 Ų43.510%0.10127%0.273CS..Hα-helixtrans-116.1-2.7-169.1-50.5-49.2000114M12 L187 R191 A206 I212 A498M12-F210 HydrophobicContact CE-CD1 3.4Å; M12-F210 HydrophobicContact CE-CE1 3.67Å; L187-F210 HydrophobicContact CD1-CD2 4.33Å; L187-F210 HydrophobicContact CD1-CE2 3.51Å; L187-F210 HydrophobicContact CD1-CZ 4.15Å; L187-F210 HydrophobicContact CD2-CZ 4.48Å; L187-F210 HydrophobicContact CG-CE2 3.86Å; L187-F210 HydrophobicContact CG-CZ 4.16Å; R191-F210 HydrophobicContact CB-CD2 3.77Å; R191-F210 HydrophobicContact CB-CE2 3.67Å; R191-F210 HydrophobicContact CB-CG 4.49Å; R191-F210 HydrophobicContact CB-CZ 4.32Å; R191-F210 HydrophobicContact CG-CD1 4.43Å; R191-F210 HydrophobicContact CG-CD2 3.93Å; R191-F210 HydrophobicContact CG-CE2 4.03Å; R191-F210 HydrophobicContact CG-CG 4.14Å; R191-F210 HydrophobicContact CG-CZ 4.34Å; A206-F210 HydrophobicContact CB-CD2 3.97Å; A206-F210 HydrophobicContact CB-CE2 4.41Å; A206-F210 WeakPolarHBondContact O-CA 3.26Å; A206-F210 VanDerWaalsContact O-CB 3.29Å; A206-F210 WeakPolarHBondContact O-CB 3.44Å; A206-F210 PolarHBondContact O-N 3.01Å; F210-I212 HydrophobicContact CB-CD1 3.75Å; F210-I212 HydrophobicContact CB-CG1 3.81Å; F210-I212 HydrophobicContact CD2-CD1 4Å; F210-I212 HydrophobicContact CG-CD1 4.32Å; F210-I212 PolarHBondContact O-N 3.06Å; F210-A498 HydrophobicContact CB-CB 4.25Å
211G93.6Very high94.2Very high62 Ų6246.2 Ų46.264%0.63930%0.295SS*.  trans67.619.8-177.100000113.7G207G207-G211 VanDerWaalsContact O-CA 3.32Å; G207-G211 WeakPolarHBondContact O-CA 3.34Å; G207-G211 PolarHBondContact O-N 2.83Å
212I96.2Very high94.3Very high4 Ų449.7 Ų49.72%0.02131%0.308CS..PPolyproline II helixtrans-71.8133.1-179.7-61.6166.3000108.8H194 T201 A206 G207 F210 V214H194-I212 HydrophobicContact CB-CD1 3.86Å; H194-I212 HydrophobicContact CB-CG1 4.11Å; H194-I212 HydrophobicContact CB-CG2 4.01Å; T201-I212 HydrophobicContact CG2-CB 4.13Å; T201-I212 HydrophobicContact CG2-CG2 3.54Å; A206-I212 HydrophobicContact CB-CD1 4.21Å; G207-I212 VanDerWaalsContact CA-O 3.32Å; G207-I212 WeakPolarHBondContact CA-O 3.35Å; F210-I212 HydrophobicContact CB-CD1 3.75Å; F210-I212 HydrophobicContact CB-CG1 3.81Å; F210-I212 HydrophobicContact CD2-CD1 4Å; F210-I212 HydrophobicContact CG-CD1 4.32Å; F210-I212 PolarHBondContact O-N 3.06Å; I212-V214 PolarHBondContact O-N 3.45Å; I212-V214 VanDerWaalsContact O-N 3.16Å
213P97.3Very high94.3Very high64 Ų6448.1 Ų48.142%0.41630%0.297SS..PPolyproline II helixtrans-56.1121.3175.7-27.936.8000112.2L200 T201L200-P213 WeakPolarHBondContact CA-O 3.46Å; L200-P213 HydrophobicContact CD2-CB 3.67Å; T201-P213 PolarHBondContact N-O 3.5Å
214V96.8Very high94.4Very high73 Ų7351.4 Ų51.444%0.44232%0.317SS..BIsolated β-bridgetrans-93.4131.9178.9-176.80000109.8T201 V204 I212T201-V214 HydrophobicContact CG2-CG2 4.41Å; T201-V214 CarbonylContact O-C 3.54Å; T201-V214 VanDerWaalsContact O-CA 3.23Å; T201-V214 WeakPolarHBondContact O-CA 3.4Å; V204-V214 HydrophobicContact CG2-CG1 4.38Å; I212-V214 PolarHBondContact O-N 3.45Å; I212-V214 VanDerWaalsContact O-N 3.16Å
215A93.8Very high94.5Very high29 Ų2949.7 Ų49.724%0.2431%0.31CS..  trans-139144.917200000110.9L173 L200 T201 S202L173-A215 HydrophobicContact CD1-CB 4.18Å; L200-A215 HydrophobicContact CB-CB 4.13Å; L200-A215 HydrophobicContact CD1-CB 3.82Å; L200-A215 HydrophobicContact CD2-CB 4.41Å; L200-A215 HydrophobicContact CG-CB 4.34Å; T201-A215 PolarHBondContact O-N 3.35Å; S202-A215 WeakPolarHBondContact CA-O 3.46Å
216G83.7Confident94.7Very high58 Ų5845.8 Ų45.860%0.59829%0.292SS*.  trans-147161.1-179.700000110.5
217T85.7Confident94.8Very high30 Ų3051.6 Ų51.618%0.18432%0.323CS..  trans-122.1-176.6170.778.30000107.9L291 R325T217-L291 HydrophobicContact CG2-CD2 3.28Å; T217-R325 HydrophobicContact CG2-CB 4.43Å; T217-R325 WeakPolarHBondContact OG1-CD 3.26Å; T217-R325 PolarHBondContact OG1-NE 2.95Å; T217-R325 PolarHBondContact OG1-NH1 3.5Å
218I93Very high94.9Very high7 Ų752 Ų524%0.03632%0.323CS..  trans-77.2155.116878.7-177000111.4V223 F279 Y282 P292 V293 R325I218-V223 HydrophobicContact CD1-CG2 3.7Å; I218-V223 HydrophobicContact CG1-CG2 4.33Å; I218-F279 HydrophobicContact CD1-CD1 4.28Å; I218-F279 HydrophobicContact CD1-CE1 4.14Å; I218-Y282 HydrophobicContact CG2-CD1 3.54Å; I218-Y282 HydrophobicContact CG2-CD2 3.45Å; I218-Y282 VanDerWaalsContact CG2-CD2 3.45Å; I218-Y282 HydrophobicContact CG2-CE1 3.38Å; I218-Y282 HydrophobicContact CG2-CE2 3.27Å; I218-Y282 HydrophobicContact CG2-CG 3.57Å; I218-P292 VanDerWaalsContact CD1-CA 3.48Å; I218-P292 HydrophobicContact CD1-CB 3.47Å; I218-P292 VanDerWaalsContact CD1-CB 3.47Å; I218-P292 HydrophobicContact CG1-CB 4.27Å; I218-V293 HydrophobicContact CD1-CG1 4.4Å; I218-V293 HydrophobicContact CG1-CB 4.38Å; I218-V293 HydrophobicContact CG1-CG1 3.88Å; I218-R325 PolarHBondContact O-NH1 3.21Å; I218-R325 VanDerWaalsContact O-NH1 3.17Å; I218-R325 PolarHBondContact O-NH2 3.38Å
219A95.2Very high95.1Very high35 Ų3545.1 Ų45.129%0.28929%0.293SS..  trans-98.3156.4174.400000111.4S221 Y222 V223A219-S221 PolarHBondContact O-N 2.9Å; A219-Y222 WeakPolarHBondContact O-CB 3.49Å; A219-Y222 PolarHBondContact O-N 3.4Å; A219-V223 PolarHBondContact O-N 2.8Å
220H97.1Very high95.4Very high55 Ų5552 Ų5226%0.25533%0.325SS..Hα-helixtrans-55.2-36.2175-65.9-78.6000112.8Y222 V223 T224 V293 D295 S296 D327H220-Y222 PolarHBondContact O-N 2.87Å; H220-V223 WeakPolarHBondContact O-CB 3.39Å; H220-V223 PolarHBondContact O-N 2.85Å; H220-T224 WeakPolarHBondContact O-CG2 3.41Å; H220-T224 PolarHBondContact O-N 3.49Å; H220-T224 PolarHBondContact O-OG1 3.27Å; H220-V293 WeakPolarHBondContact CE1-CG2 3.49Å; H220-D295 IonicContact CE1-OD1 2.86Å; H220-D295 PolarHBondContact CE1-OD1 3.24Å; H220-S296 PolarHBondContact ND1-OG 3.33Å; H220-D327 IonicContact CD2-OD2 2.8Å; H220-D327 IonicContact NE2-OD2 3.36Å; H220-D327 PolarHBondContact NE2-OD2 3.07Å
221S97.8Very high95.7Very high87 Ų8755 Ų5561%0.60834%0.339SS*.Hα-helixtrans-60.1-32.1178.456.20000113.3A219 T224 S225A219-S221 PolarHBondContact O-N 2.9Å; S221-T224 WeakPolarHBondContact CA-OG1 3.39Å; S221-T224 PolarHBondContact O-OG1 3.26Å; S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 2.84Å
222Y98.3Very high95.9Very high74 Ų7452 Ų5229%0.2931%0.309SS..Hα-helixtrans-67.7-47.8173.3-170.4-90.4000110A219 H220 T224 S225 F226 A278 S281 Y282A219-Y222 WeakPolarHBondContact O-CB 3.49Å; A219-Y222 PolarHBondContact O-N 3.4Å; H220-Y222 PolarHBondContact O-N 2.87Å; Y222-T224 PolarHBondContact O-N 2.95Å; Y222-S225 PolarHBondContact O-N 2.8Å; Y222-S225 PolarHBondContact O-OG 2.71Å; Y222-F226 HydrophobicContact CD1-CE2 4.09Å; Y222-F226 AromaticContact CE1-CE2 3.67Å; Y222-F226 HydrophobicContact CE1-CE2 3.67Å; Y222-F226 HydrophobicContact CE1-CZ 4.26Å; Y222-F226 HydrophobicContact CE2-CE2 4.37Å; Y222-F226 AromaticContact CZ-CE2 3.84Å; Y222-F226 VanDerWaalsContact O-CD2 3.27Å; Y222-F226 WeakPolarHBondContact O-CD2 3.44Å; Y222-A278 HydrophobicContact CD1-CB 4.26Å; Y222-A278 HydrophobicContact CE1-CB 4.35Å; Y222-A278 WeakPolarHBondContact CE1-O 3.37Å; Y222-S281 PolarHBondContact OH-OG 3.47Å; Y222-Y282 HydrophobicContact CE1-CD2 4.22Å
223V98.3Very high95.8Very high0 Ų062.2 Ų62.20%035%0.347CS..Hα-helixtrans-59.8-46.3179.2-177.70000111.7I218 A219 H220 S225 E275 A278 F279 V293 Y297I218-V223 HydrophobicContact CD1-CG2 3.7Å; I218-V223 HydrophobicContact CG1-CG2 4.33Å; A219-V223 PolarHBondContact O-N 2.8Å; H220-V223 WeakPolarHBondContact O-CB 3.39Å; H220-V223 PolarHBondContact O-N 2.85Å; V223-S225 PolarHBondContact O-N 2.89Å; V223-E275 HydrophobicContact CG1-CB 4.12Å; V223-E275 HydrophobicContact CG1-CG 3.76Å; V223-A278 HydrophobicContact CB-CB 4.4Å; V223-A278 HydrophobicContact CG1-CB 4.37Å; V223-F279 HydrophobicContact CG1-CE1 4.48Å; V223-F279 HydrophobicContact CG2-CE1 4.02Å; V223-V293 HydrophobicContact CG2-CG1 3.96Å; V223-Y297 HydrophobicContact CG1-CE2 4.39Å
224T98.1Very high95.8Very high74 Ų7461.7 Ų61.745%0.45434%0.344SS..THydrogen-bonded Turntrans-77.7-3.5-177.960.60000113.9H220 S221 Y222 F226H220-T224 WeakPolarHBondContact O-CG2 3.41Å; H220-T224 PolarHBondContact O-N 3.49Å; H220-T224 PolarHBondContact O-OG1 3.27Å; S221-T224 WeakPolarHBondContact CA-OG1 3.39Å; S221-T224 PolarHBondContact O-OG1 3.26Å; Y222-T224 PolarHBondContact O-N 2.95Å; T224-F226 VanDerWaalsContact C-N 3.28Å
225S98.4Very high95.8Very high70 Ų7062 Ų6249%0.4934%0.34SS..THydrogen-bonded Turntrans-80.4-11.117670.80000113.4S221 Y222 V223S221-S225 WeakPolarHBondContact O-CB 3.41Å; S221-S225 PolarHBondContact O-N 2.84Å; Y222-S225 PolarHBondContact O-N 2.8Å; Y222-S225 PolarHBondContact O-OG 2.71Å; V223-S225 PolarHBondContact O-N 2.89Å
226F98.5Very high95.9Very high22 Ų2263.1 Ų63.110%0.09634%0.344CS..  trans-105.5137-179.4-68.2-95.6000111.6Y222 T224 E231 G274 A277 A278 S281Y222-F226 HydrophobicContact CD1-CE2 4.09Å; Y222-F226 AromaticContact CE1-CE2 3.67Å; Y222-F226 HydrophobicContact CE1-CE2 3.67Å; Y222-F226 HydrophobicContact CE1-CZ 4.26Å; Y222-F226 HydrophobicContact CE2-CE2 4.37Å; Y222-F226 AromaticContact CZ-CE2 3.84Å; Y222-F226 VanDerWaalsContact O-CD2 3.27Å; Y222-F226 WeakPolarHBondContact O-CD2 3.44Å; T224-F226 VanDerWaalsContact C-N 3.28Å; F226-E231 WeakPolarHBondContact CA-OE2 3.32Å; F226-E231 HydrophobicContact CD1-CB 4.03Å; F226-E231 HydrophobicContact CE1-CB 4.48Å; F226-G274 VanDerWaalsContact CB-O 3.28Å; F226-G274 WeakPolarHBondContact CB-O 3.22Å; F226-G274 WeakPolarHBondContact O-CA 3.27Å; F226-A277 HydrophobicContact CB-CB 4.1Å; F226-A277 HydrophobicContact CD1-CB 4.12Å; F226-A277 HydrophobicContact CG-CB 4.36Å; F226-A278 HydrophobicContact CB-CB 4.31Å; F226-A278 HydrophobicContact CD2-CB 3.49Å; F226-A278 VanDerWaalsContact CD2-CB 3.49Å; F226-A278 HydrophobicContact CE2-CB 4.04Å; F226-A278 HydrophobicContact CG-CB 4.03Å; F226-S281 WeakPolarHBondContact CZ-OG 3.45Å
227N97.4Very high96.5Very high122 Ų12261 Ų6165%0.65232%0.319SS*.  trans-104.9-34.9174.2-56.9-67.8000112.8E231 G274N227-E231 WeakPolarHBondContact CB-OE1 3.4Å; N227-E231 PolarHBondContact N-OE2 3.48Å; N227-E231 PolarHBondContact ND2-OE1 3.26Å; N227-G274 PolarHBondContact O-N 3.26Å
228S97.6Very high96.9Very high24 Ų2462.6 Ų62.617%0.16833%0.329CS..SBendtrans-151.2168.4-173.674.10000112.5E230 E231 A277S228-E230 PolarHBondContact O-N 3.17Å; S228-E230 PolarHBondContact OG-N 3.4Å; S228-E231 PolarHBondContact O-N 2.94Å; S228-A277 WeakPolarHBondContact O-CB 3.3Å
229L97.8Very high96.9Very high10 Ų1063.5 Ų63.55%0.05234%0.335CS..G310 helixtrans-69.6-16.1177-71.8163.6000113.7E231 V232 I250 K254 E273 L276 A277L229-E231 PolarHBondContact O-N 3.37Å; L229-V232 HydrophobicContact CD2-CG2 4.32Å; L229-V232 WeakPolarHBondContact O-CB 3.48Å; L229-V232 PolarHBondContact O-N 3.02Å; L229-I250 HydrophobicContact CD1-CG2 4.19Å; L229-I250 HydrophobicContact CD2-CG2 4.5Å; L229-K254 HydrophobicContact CD1-CD 4.43Å; L229-K254 HydrophobicContact CD1-CG 4.45Å; L229-E273 HydrophobicContact CD1-CG 4.04Å; L229-E273 HydrophobicContact CG-CG 3.85Å; L229-E273 PolarHBondContact N-OE1 3.45Å; L229-E273 VanDerWaalsContact N-OE1 3.14Å; L229-L276 HydrophobicContact CD1-CD2 4.22Å; L229-L276 HydrophobicContact CD2-CD2 4.33Å; L229-L276 HydrophobicContact CD2-CG 4.29Å; L229-A277 HydrophobicContact CD2-CB 3.96Å; L229-A277 HydrophobicContact CG-CB 4.34Å
230E97Very high96.7Very high170 Ų17063.9 Ų63.979%0.79434%0.338SS*.G310 helixtrans-65.5-24.8177-60.6-177.5175.700112.2S228 V232S228-E230 PolarHBondContact O-N 3.17Å; S228-E230 PolarHBondContact OG-N 3.4Å; E230-V232 VanDerWaalsContact C-N 3.27Å; E230-V232 PolarHBondContact O-N 3.45Å
231E97.8Very high96.2Very high84 Ų8468.1 Ų68.139%0.39336%0.362SS..G310 helixtrans-80.3-5.7179-63.6170.6-179.500112.8F226 N227 S228 L229F226-E231 WeakPolarHBondContact CA-OE2 3.32Å; F226-E231 HydrophobicContact CD1-CB 4.03Å; F226-E231 HydrophobicContact CE1-CB 4.48Å; N227-E231 WeakPolarHBondContact CB-OE1 3.4Å; N227-E231 PolarHBondContact N-OE2 3.48Å; N227-E231 PolarHBondContact ND2-OE1 3.26Å; S228-E231 PolarHBondContact O-N 2.94Å; L229-E231 PolarHBondContact O-N 3.37Å
232V98Very high95.2Very high1 Ų167.1 Ų67.11%0.00637%0.365CS..  trans-78.7121.9178.2-179.80000110.2L229 E230 Q235 I250 A277 V280 I284L229-V232 HydrophobicContact CD2-CG2 4.32Å; L229-V232 WeakPolarHBondContact O-CB 3.48Å; L229-V232 PolarHBondContact O-N 3.02Å; E230-V232 VanDerWaalsContact C-N 3.27Å; E230-V232 PolarHBondContact O-N 3.45Å; V232-Q235 WeakPolarHBondContact O-CG 3.26Å; V232-I250 HydrophobicContact CB-CD1 4.21Å; V232-I250 HydrophobicContact CG1-CD1 4.43Å; V232-A277 HydrophobicContact CG2-CB 3.71Å; V232-A277 WeakPolarHBondContact CG2-O 3.42Å; V232-V280 HydrophobicContact CG1-CG1 3.96Å; V232-I284 HydrophobicContact CG1-CD1 3.89Å
233W95.4Very high94.6Very high217 Ų21767 Ų6782%0.82237%0.37SS*.SBendtrans-143.1133.3173.9-174.6-96.1000112.3
234P96.2Very high93.9Very high53 Ų5372 Ų7234%0.34440%0.402SS..SBendcis-66165.1-7.830.2-34.9000111.5T236 I284P234-T236 VanDerWaalsContact C-N 3.28Å; P234-I284 HydrophobicContact CG-CG2 3.76Å; P234-I284 WeakPolarHBondContact O-CD1 3.35Å
235Q96.3Very high93.5Very high79 Ų7973.5 Ų73.537%0.36941%0.407SS..  trans-91.78.2176.7-66-166.1-2.900113.2V232 I249 I250V232-Q235 WeakPolarHBondContact O-CG 3.26Å; Q235-I249 WeakPolarHBondContact O-CG2 3.49Å; Q235-I249 PolarHBondContact O-N 2.92Å; Q235-I249 VanDerWaalsContact O-N 3.15Å; Q235-I250 HydrophobicContact CB-CD1 3.78Å; Q235-I250 VanDerWaalsContact CD-CD1 3.45Å; Q235-I250 HydrophobicContact CG-CD1 3.48Å; Q235-I250 VanDerWaalsContact CG-CD1 3.48Å
236T96.3Very high93.1Very high54 Ų5473.8 Ų73.833%0.33141%0.408SS..EExtended strand (participates in β ladder)trans-130.2153.2-173.761.40000112.4P234 P246 V247P234-T236 VanDerWaalsContact C-N 3.28Å; T236-P246 HydrophobicContact CG2-CB 4.16Å; T236-V247 CarbonylContact C-O 3.58Å; T236-V247 WeakPolarHBondContact CA-O 3.43Å; T236-V247 WeakPolarHBondContact CB-O 3.39Å
237L95.7Very high92.9Very high12 Ų1275.1 Ų75.16%0.06342%0.418CS..EExtended strand (participates in β ladder)trans-134.1133.8173.3-173.659.6000110V247 I249 P287 L314 L317 Y319L237-V247 PolarHBondContact N-O 3.21Å; L237-V247 PolarHBondContact O-N 2.82Å; L237-I249 HydrophobicContact CB-CB 4.19Å; L237-I249 HydrophobicContact CB-CD1 3.72Å; L237-I249 HydrophobicContact CB-CG2 4.43Å; L237-I249 HydrophobicContact CD2-CD1 3.43Å; L237-I249 VanDerWaalsContact CD2-CD1 3.43Å; L237-I249 HydrophobicContact CG-CD1 4.21Å; L237-P287 HydrophobicContact CD1-CG 4.5Å; L237-P287 HydrophobicContact CD2-CB 4.12Å; L237-L314 HydrophobicContact CD2-CD2 3.76Å; L237-L317 HydrophobicContact CB-CD1 4.18Å; L237-L317 HydrophobicContact CD2-CD1 3.91Å; L237-L317 HydrophobicContact CG-CD1 4.26Å; L237-Y319 HydrophobicContact CD1-CE2 4.41Å; L237-Y319 HydrophobicContact CD2-CD2 4.07Å; L237-Y319 HydrophobicContact CD2-CE2 3.74Å; L237-Y319 HydrophobicContact CG-CE2 3.96Å
238V94.4Very high92.9Very high65 Ų6572.4 Ų72.439%0.39440%0.403SS..  trans-73.9157.1172.4-66.80000110.6P246 Y319V238-P246 HydrophobicContact CG1-CB 4.41Å; V238-Y319 VanDerWaalsContact O-CE2 3.22Å; V238-Y319 WeakPolarHBondContact O-CE2 3.2Å; V238-Y319 PolarHBondContact O-OH 3.3Å
239T93.4Very high92.9Very high26 Ų2671.3 Ų71.316%0.1640%0.395CS..  trans-77.4154.3178.172.10000111.5N241 G242 D243 V247 L317T239-N241 PolarHBondContact O-N 3.35Å; T239-G242 PolarHBondContact O-N 3.49Å; T239-D243 WeakPolarHBondContact OG1-CB 3.06Å; T239-V247 HydrophobicContact CG2-CG2 4.3Å; T239-L317 HydrophobicContact CG2-CD2 4.03Å
240A91.8Very high92.9Very high43 Ų4371.4 Ų71.436%0.35540%0.396SS..THydrogen-bonded Turntrans-65.8-20.9175.900000113.3G242 L317 G318 Y319A240-G242 PolarHBondContact O-N 2.85Å; A240-L317 PolarHBondContact N-O 2.81Å; A240-G318 VanDerWaalsContact CB-C 3.47Å; A240-G318 WeakPolarHBondContact CB-O 3.44Å; A240-Y319 HydrophobicContact CB-CD1 3.72Å; A240-Y319 HydrophobicContact CB-CD2 4.41Å; A240-Y319 HydrophobicContact CB-CE1 3.66Å; A240-Y319 HydrophobicContact CB-CE2 4.37Å; A240-Y319 HydrophobicContact CB-CG 4.11Å
241N85.1Confident93Very high144 Ų14466.6 Ų66.677%0.7738%0.381SS*.THydrogen-bonded Turntrans-78.82.2-175.8-62.4-17.7000113.4T239T239-N241 PolarHBondContact O-N 3.35Å
242G77.4Confident93Very high65 Ų6564 Ų6467%0.6737%0.369SS*.  trans84.29.4178.400000114.7T239 A240 P244T239-G242 PolarHBondContact O-N 3.49Å; A240-G242 PolarHBondContact O-N 2.85Å; G242-P244 WeakPolarHBondContact O-CD 3.35Å
243D86.2Confident93Very high72 Ų7264 Ų6439%0.38537%0.37SS..  trans-66.2118.5167.1-173.5-14.7000108.7T239 N245T239-D243 WeakPolarHBondContact OG1-CB 3.06Å; D243-N245 PolarHBondContact O-N 2.81Å; D243-N245 WeakPolarHBondContact OD1-CB 3.06Å; D243-N245 PolarHBondContact OD1-N 2.63Å; D243-N245 PolarHBondContact OD1-ND2 3.12Å
244P82.4Confident93.1Very high104 Ų10458.3 Ų58.368%0.67535%0.351SS*.  trans-72.1-10.1-17831.2-36.7000113.1G242 P246G242-P244 WeakPolarHBondContact O-CD 3.35Å; P244-P246 WeakPolarHBondContact O-CD 3.32Å
245N89.9Confident93.2Very high106 Ų10656.7 Ų56.757%0.56734%0.343SS*.SBendtrans-72.4115.1-178.7-65.8-53.1000110.9D243D243-N245 PolarHBondContact O-N 2.81Å; D243-N245 WeakPolarHBondContact OD1-CB 3.06Å; D243-N245 PolarHBondContact OD1-N 2.63Å; D243-N245 PolarHBondContact OD1-ND2 3.12Å
246P89.9Confident93.3Very high77 Ų7754.1 Ų54.150%0.533%0.33SS..  trans-71.8130.9-179.424.1-25.9000111.1T236 V238 P244T236-P246 HydrophobicContact CG2-CB 4.16Å; V238-P246 HydrophobicContact CG1-CB 4.41Å; P244-P246 WeakPolarHBondContact O-CD 3.32Å
247V95.5Very high93.4Very high49 Ų4952.6 Ų52.630%0.29732%0.32SS..EExtended strand (participates in β ladder)trans-90.1135.4174.3179.80000109.4T236 L237 T239 I249 L252 L317T236-V247 CarbonylContact C-O 3.58Å; T236-V247 WeakPolarHBondContact CA-O 3.43Å; T236-V247 WeakPolarHBondContact CB-O 3.39Å; L237-V247 PolarHBondContact N-O 3.21Å; L237-V247 PolarHBondContact O-N 2.82Å; T239-V247 HydrophobicContact CG2-CG2 4.3Å; V247-I249 PolarHBondContact O-N 2.79Å; V247-L252 HydrophobicContact CG1-CD2 4.23Å; V247-L317 HydrophobicContact CB-CD2 3.83Å; V247-L317 HydrophobicContact CG1-CD2 4.05Å; V247-L317 HydrophobicContact CG2-CD2 3.64Å
248D97.4Very high93.4Very high66 Ų6660 Ų6035%0.35335%0.347SS..EExtended strand (participates in β ladder)trans-6499.2168.9176.2-7.8000109.7I250 S251 L252D248-I250 VanDerWaalsContact C-N 3.32Å; D248-I250 PolarHBondContact OD1-N 3.21Å; D248-S251 VanDerWaalsContact CG-OG 3.31Å; D248-S251 PolarHBondContact OD1-N 3.48Å; D248-S251 VanDerWaalsContact OD2-CB 3.23Å; D248-S251 WeakPolarHBondContact OD2-CB 3.29Å; D248-S251 PolarHBondContact OD2-OG 3.44Å; D248-L252 WeakPolarHBondContact O-CB 3.32Å; D248-L252 PolarHBondContact O-N 3.11Å; D248-L252 VanDerWaalsContact O-N 3.14Å
249I97.3Very high93.6Very high0 Ų062.8 Ų62.80%035%0.351CS..Hα-helixtrans-77.5-22.2-174.1-169.3150.9000112.1Q235 L237 V247 T253 V280 I284 L317Q235-I249 WeakPolarHBondContact O-CG2 3.49Å; Q235-I249 PolarHBondContact O-N 2.92Å; Q235-I249 VanDerWaalsContact O-N 3.15Å; L237-I249 HydrophobicContact CB-CB 4.19Å; L237-I249 HydrophobicContact CB-CD1 3.72Å; L237-I249 HydrophobicContact CB-CG2 4.43Å; L237-I249 HydrophobicContact CD2-CD1 3.43Å; L237-I249 VanDerWaalsContact CD2-CD1 3.43Å; L237-I249 HydrophobicContact CG-CD1 4.21Å; V247-I249 PolarHBondContact O-N 2.79Å; I249-T253 WeakPolarHBondContact O-CB 3.47Å; I249-T253 PolarHBondContact O-N 2.7Å; I249-T253 PolarHBondContact O-OG1 3.22Å; I249-V280 HydrophobicContact CG2-CG1 3.82Å; I249-I284 HydrophobicContact CG2-CD1 3.57Å; I249-I284 HydrophobicContact CG2-CG1 3.85Å; I249-L317 HydrophobicContact CD1-CD1 3.85Å
250I97.8Very high93.7Very high12 Ų1261.5 Ų61.56%0.06234%0.343CS..Hα-helixtrans-68.1-51.6174.7-69.5170.3000109.2L229 V232 Q235 D248 L252 T253 K254 V280L229-I250 HydrophobicContact CD1-CG2 4.19Å; L229-I250 HydrophobicContact CD2-CG2 4.5Å; V232-I250 HydrophobicContact CB-CD1 4.21Å; V232-I250 HydrophobicContact CG1-CD1 4.43Å; Q235-I250 HydrophobicContact CB-CD1 3.78Å; Q235-I250 VanDerWaalsContact CD-CD1 3.45Å; Q235-I250 HydrophobicContact CG-CD1 3.48Å; Q235-I250 VanDerWaalsContact CG-CD1 3.48Å; D248-I250 VanDerWaalsContact C-N 3.32Å; D248-I250 PolarHBondContact OD1-N 3.21Å; I250-L252 VanDerWaalsContact C-N 3.32Å; I250-L252 PolarHBondContact O-N 3.11Å; I250-T253 PolarHBondContact O-N 3.34Å; I250-K254 HydrophobicContact CG2-CD 4.23Å; I250-K254 WeakPolarHBondContact O-CG 3.17Å; I250-K254 PolarHBondContact O-N 3.06Å; I250-V280 HydrophobicContact CG1-CG1 4.37Å
251S97.9Very high94Very high70 Ų7059.9 Ų59.949%0.4933%0.329SS..Hα-helixtrans-61.3-42.7179.2-69.50000111.5D248 K254 G255D248-S251 VanDerWaalsContact CG-OG 3.31Å; D248-S251 PolarHBondContact OD1-N 3.48Å; D248-S251 VanDerWaalsContact OD2-CB 3.23Å; D248-S251 WeakPolarHBondContact OD2-CB 3.29Å; D248-S251 PolarHBondContact OD2-OG 3.44Å; S251-K254 PolarHBondContact O-N 3.18Å; S251-G255 PolarHBondContact O-N 3.24Å
252L98.1Very high94.5Very high28 Ų2860.1 Ų60.115%0.14733%0.325CS..Hα-helixtrans-59.9-49.3175.1-178.659.1000111.9V247 D248 I250 K254 G255 W256 A313 E316 L317V247-L252 HydrophobicContact CG1-CD2 4.23Å; D248-L252 WeakPolarHBondContact O-CB 3.32Å; D248-L252 PolarHBondContact O-N 3.11Å; D248-L252 VanDerWaalsContact O-N 3.14Å; I250-L252 VanDerWaalsContact C-N 3.32Å; I250-L252 PolarHBondContact O-N 3.11Å; L252-K254 PolarHBondContact O-N 3.23Å; L252-G255 WeakPolarHBondContact O-CA 3.45Å; L252-G255 PolarHBondContact O-N 3.01Å; L252-G255 VanDerWaalsContact O-N 3.13Å; L252-W256 PolarHBondContact O-N 3.45Å; L252-A313 HydrophobicContact CD2-CB 3.92Å; L252-A313 HydrophobicContact CG-CB 3.9Å; L252-E316 WeakPolarHBondContact CD1-OE2 3.41Å; L252-L317 HydrophobicContact CD2-CD1 4.03Å; L252-L317 HydrophobicContact CD2-CD2 4.08Å; L252-L317 HydrophobicContact CD2-CG 3.92Å
253T98.3Very high95.4Very high2 Ų259.6 Ų59.61%0.01231%0.307CS..Hα-helixtrans-64.7-40.3-179.3-58.30000111.7I249 I250 G255 W256 L257 L276 V280 A309 V310I249-T253 WeakPolarHBondContact O-CB 3.47Å; I249-T253 PolarHBondContact O-N 2.7Å; I249-T253 PolarHBondContact O-OG1 3.22Å; I250-T253 PolarHBondContact O-N 3.34Å; T253-G255 VanDerWaalsContact C-N 3.28Å; T253-G255 PolarHBondContact O-N 2.94Å; T253-W256 PolarHBondContact O-N 3.2Å; T253-L257 WeakPolarHBondContact O-CB 3.49Å; T253-L257 PolarHBondContact O-N 3.2Å; T253-L276 HydrophobicContact CG2-CD1 3.74Å; T253-L276 HydrophobicContact CG2-CG 4.45Å; T253-V280 HydrophobicContact CG2-CG2 3.88Å; T253-A309 HydrophobicContact CG2-CB 4.07Å; T253-V310 HydrophobicContact CG2-CG2 3.69Å
254K97.8Very high95.8Very high98 Ų9858.9 Ų58.943%0.42630%0.302SS..Hα-helixtrans-61.1-36.8173.2-74.9-178.1-179.1-177.80112L229 I250 S251 L252 R258L229-K254 HydrophobicContact CD1-CD 4.43Å; L229-K254 HydrophobicContact CD1-CG 4.45Å; I250-K254 HydrophobicContact CG2-CD 4.23Å; I250-K254 WeakPolarHBondContact O-CG 3.17Å; I250-K254 PolarHBondContact O-N 3.06Å; S251-K254 PolarHBondContact O-N 3.18Å; L252-K254 PolarHBondContact O-N 3.23Å; K254-R258 PolarHBondContact O-N 3.17Å
255G97.8Very high96.4Very high18 Ų1857.3 Ų57.319%0.18630%0.304CS..Hα-helixtrans-60.1-50.2172.800000112S251 L252 T253 R258 R259S251-G255 PolarHBondContact O-N 3.24Å; L252-G255 WeakPolarHBondContact O-CA 3.45Å; L252-G255 PolarHBondContact O-N 3.01Å; L252-G255 VanDerWaalsContact O-N 3.13Å; T253-G255 VanDerWaalsContact C-N 3.28Å; T253-G255 PolarHBondContact O-N 2.94Å; G255-R258 PolarHBondContact O-N 2.84Å; G255-R259 PolarHBondContact O-N 2.97Å
256W98.3Very high96.5Very high25 Ų2553.5 Ų53.510%0.09529%0.288CS..Hα-helixtrans-65.6-39.1177.1-78.8114.3000113.5L252 T253 R258 R259 V260 A309 L312 E316 F349L252-W256 PolarHBondContact O-N 3.45Å; T253-W256 PolarHBondContact O-N 3.2Å; W256-R258 VanDerWaalsContact C-N 3.32Å; W256-R258 PolarHBondContact O-N 3.16Å; W256-R259 HydrophobicContact CE3-CB 4.45Å; W256-R259 VanDerWaalsContact CH2-NH1 3.31Å; W256-R259 PolarHBondContact O-N 2.98Å; W256-R259 VanDerWaalsContact O-N 3.16Å; W256-V260 WeakPolarHBondContact O-CG2 3.35Å; W256-V260 PolarHBondContact O-N 3.31Å; W256-A309 HydrophobicContact CB-CB 4.3Å; W256-L312 HydrophobicContact CB-CB 4.32Å; W256-L312 HydrophobicContact CD2-CB 3.64Å; W256-L312 HydrophobicContact CD2-CD1 4.25Å; W256-L312 HydrophobicContact CD2-CG 4.48Å; W256-L312 HydrophobicContact CE3-CB 3.9Å; W256-L312 HydrophobicContact CE3-CD1 3.67Å; W256-L312 HydrophobicContact CE3-CG 4.25Å; W256-L312 HydrophobicContact CG-CB 3.84Å; W256-L312 HydrophobicContact CZ3-CB 4.46Å; W256-L312 HydrophobicContact CZ3-CD1 4.14Å; W256-L312 HydrophobicContact CZ3-CD2 4.44Å; W256-E316 WeakPolarHBondContact CZ2-OE2 3.47Å; W256-E316 PolarHBondContact NE1-OE2 2.69Å; W256-F349 HydrophobicContact CZ3-CB 4.31Å; W256-F349 AromaticContact CZ3-CD1 3.77Å; W256-F349 HydrophobicContact CZ3-CD1 3.77Å; W256-F349 HydrophobicContact CZ3-CD2 4.4Å; W256-F349 HydrophobicContact CZ3-CE1 4.17Å; W256-F349 AromaticContact CZ3-CG 3.9Å; W256-F349 HydrophobicContact CZ3-CG 3.9Å
257L97.9Very high96.4Very high22 Ų2255.4 Ų55.412%0.11529%0.29CS..Hα-helixtrans-58.9-44.2178.4-174.862000111.5T253 R259 V260 C261 I271 L276 L305 A309T253-L257 WeakPolarHBondContact O-CB 3.49Å; T253-L257 PolarHBondContact O-N 3.2Å; L257-R259 VanDerWaalsContact C-N 3.35Å; L257-R259 PolarHBondContact O-N 3.27Å; L257-V260 PolarHBondContact O-N 3.1Å; L257-C261 PolarHBondContact O-N 3.11Å; L257-C261 PolarHBondContact O-SG 3.25Å; L257-I271 HydrophobicContact CD1-CD1 4.11Å; L257-I271 HydrophobicContact CD2-CD1 4.42Å; L257-I271 HydrophobicContact CD2-CG2 4.33Å; L257-I271 HydrophobicContact CG-CD1 4.36Å; L257-L276 HydrophobicContact CD2-CD2 3.77Å; L257-L305 HydrophobicContact CD1-CB 4.27Å; L257-A309 HydrophobicContact CB-CB 3.73Å; L257-A309 HydrophobicContact CD1-CB 3.85Å; L257-A309 HydrophobicContact CG-CB 4.41Å
258R97Very high95.6Very high169 Ų16957.8 Ų57.864%0.63831%0.306SS*.Hα-helixtrans-56.2-47.9175.2-74.8-176-74166.8-4.3112.1K254 G255 W256 V260 C261 E262K254-R258 PolarHBondContact O-N 3.17Å; G255-R258 PolarHBondContact O-N 2.84Å; W256-R258 VanDerWaalsContact C-N 3.32Å; W256-R258 PolarHBondContact O-N 3.16Å; R258-V260 PolarHBondContact O-N 3.1Å; R258-C261 PolarHBondContact O-N 3.34Å; R258-E262 WeakPolarHBondContact O-CG 3.43Å; R258-E262 PolarHBondContact O-N 3.36Å
259R97.6Very high94.9Very high122 Ų12258.6 Ų58.646%0.4633%0.33SS..Hα-helixtrans-63.3-39.3178.5-63.9175.7-179.81710.5112.5G255 W256 L257 E262 L263 F349G255-R259 PolarHBondContact O-N 2.97Å; W256-R259 HydrophobicContact CE3-CB 4.45Å; W256-R259 VanDerWaalsContact CH2-NH1 3.31Å; W256-R259 PolarHBondContact O-N 2.98Å; W256-R259 VanDerWaalsContact O-N 3.16Å; L257-R259 VanDerWaalsContact C-N 3.35Å; L257-R259 PolarHBondContact O-N 3.27Å; R259-E262 PolarHBondContact O-N 3.49Å; R259-L263 WeakPolarHBondContact O-CB 3.16Å; R259-L263 PolarHBondContact O-N 3.46Å; R259-F349 HydrophobicContact CB-CE1 4.03Å; R259-F349 HydrophobicContact CB-CZ 3.94Å
260V97.2Very high94.5Very high0 Ų063.8 Ų63.80%035%0.353CS..Hα-helixtrans-67.3-41.5176.3170.90000110.8W256 L257 R258 L263 M264 L305 C308 L312 F349W256-V260 WeakPolarHBondContact O-CG2 3.35Å; W256-V260 PolarHBondContact O-N 3.31Å; L257-V260 PolarHBondContact O-N 3.1Å; R258-V260 PolarHBondContact O-N 3.1Å; V260-L263 PolarHBondContact O-N 3.04Å; V260-M264 HydrophobicContact CG1-CG 4.47Å; V260-M264 WeakPolarHBondContact O-CB 3.19Å; V260-M264 WeakPolarHBondContact O-CG 3.13Å; V260-M264 PolarHBondContact O-N 3.1Å; V260-L305 HydrophobicContact CG1-CB 4.29Å; V260-L305 HydrophobicContact CG1-CD2 3.88Å; V260-C308 HydrophobicContact CG1-CB 3.98Å; V260-C308 HydrophobicContact CG2-CB 4.01Å; V260-L312 HydrophobicContact CG2-CD1 3.63Å; V260-F349 HydrophobicContact CG2-CE2 4.3Å
261C96.4Very high94.4Very high8 Ų864.5 Ų64.55%0.05436%0.357CS..Hα-helixtrans-62.2-43.3175.2-66.40000112.1L257 R258 M264 G265 A266 I271L257-C261 PolarHBondContact O-N 3.11Å; L257-C261 PolarHBondContact O-SG 3.25Å; R258-C261 PolarHBondContact O-N 3.34Å; C261-M264 PolarHBondContact O-N 2.85Å; C261-G265 PolarHBondContact O-N 2.74Å; C261-A266 HydrophobicContact CB-CB 4.38Å; C261-A266 PolarHBondContact O-N 3.09Å; C261-I271 WeakPolarHBondContact SG-CD1 3.5Å
262E96.6Very high94.4Very high150 Ų15067.5 Ų67.570%0.70136%0.357SS*.Hα-helixtrans-60.1-47.2175.3-73.5166.3-170.900111.4R258 R259 M264 G265R258-E262 WeakPolarHBondContact O-CG 3.43Å; R258-E262 PolarHBondContact O-N 3.36Å; R259-E262 PolarHBondContact O-N 3.49Å; E262-M264 VanDerWaalsContact C-N 3.29Å; E262-M264 PolarHBondContact O-N 3.18Å; E262-G265 PolarHBondContact O-N 2.99Å
263L96Very high94.4Very high54 Ų5470.5 Ų70.528%0.28337%0.37SS..Hα-helixtrans-59.4-39.7177.1177.759.6000112.3R259 V260 L344 Q348 F349R259-L263 WeakPolarHBondContact O-CB 3.16Å; R259-L263 PolarHBondContact O-N 3.46Å; V260-L263 PolarHBondContact O-N 3.04Å; L263-L344 HydrophobicContact CD2-CB 4.4Å; L263-Q348 HydrophobicContact CD1-CB 4.22Å; L263-Q348 HydrophobicContact CD1-CG 4.01Å; L263-Q348 HydrophobicContact CD2-CB 4.04Å; L263-Q348 HydrophobicContact CD2-CG 4.24Å; L263-F349 HydrophobicContact CB-CZ 4.45Å; L263-F349 HydrophobicContact CD2-CE2 3.75Å; L263-F349 HydrophobicContact CD2-CZ 4.06Å
264M95.7Very high94.4Very high57 Ų5770.7 Ų70.728%0.28137%0.373SS..Hα-helixtrans-90.6-3.7-175.9-65.1-55.1-55.800114V260 C261 E262 A266 L305 V341 L344V260-M264 HydrophobicContact CG1-CG 4.47Å; V260-M264 WeakPolarHBondContact O-CB 3.19Å; V260-M264 WeakPolarHBondContact O-CG 3.13Å; V260-M264 PolarHBondContact O-N 3.1Å; C261-M264 PolarHBondContact O-N 2.85Å; E262-M264 VanDerWaalsContact C-N 3.29Å; E262-M264 PolarHBondContact O-N 3.18Å; M264-A266 HydrophobicContact CB-CB 4.31Å; M264-A266 PolarHBondContact O-N 2.66Å; M264-L305 HydrophobicContact CB-CD2 3.94Å; M264-L305 HydrophobicContact CG-CD2 3.73Å; M264-V341 HydrophobicContact CE-CG2 3.48Å; M264-V341 VanDerWaalsContact CE-CG2 3.48Å; M264-V341 HydrophobicContact SD-CB 4.5Å; M264-V341 HydrophobicContact SD-CG1 4.02Å; M264-V341 HydrophobicContact SD-CG2 3.89Å; M264-L344 HydrophobicContact SD-CD1 4.41Å
265G93.8Very high94.4Very high70 Ų7066 Ų6672%0.72235%0.353SS*.THydrogen-bonded Turntrans58.631.5-171.500000113C261 E262C261-G265 PolarHBondContact O-N 2.74Å; E262-G265 PolarHBondContact O-N 2.99Å
266A91.7Very high94.4Very high27 Ų2765.5 Ų65.522%0.22335%0.345CS..  trans-86.8141.4-173.600000112.1C261 M264 P268 L305C261-A266 HydrophobicContact CB-CB 4.38Å; C261-A266 PolarHBondContact O-N 3.09Å; M264-A266 HydrophobicContact CB-CB 4.31Å; M264-A266 PolarHBondContact O-N 2.66Å; A266-P268 WeakPolarHBondContact O-CD 3.2Å; A266-L305 HydrophobicContact CB-CD1 3.51Å
267E87.8Confident94.5Very high117 Ų11764.3 Ų64.355%0.54734%0.341SS..  trans-78.5118174.3-71.3167.2-133.600110.9G269 K270E267-G269 PolarHBondContact O-N 3.1Å; E267-G269 VanDerWaalsContact O-N 3.1Å; E267-K270 HydrophobicContact CB-CD 4.27Å; E267-K270 HydrophobicContact CB-CG 4.42Å; E267-K270 PolarHBondContact O-N 3.28Å; E267-K270 VanDerWaalsContact O-N 3.13Å; E267-K270 IonicContact OE1-NZ 3.4Å; E267-K270 PolarHBondContact OE1-NZ 3.49Å; E267-K270 WeakPolarHBondContact OE2-CE 3.41Å; E267-K270 IonicContact OE2-NZ 3.45Å; E267-K270 PolarHBondContact OE2-NZ 2.91Å
268P78.9Confident94.5Very high99 Ų9963.3 Ų63.364%0.64334%0.335SS*.G310 helixtrans-57.9-30.1-176.7-27.536.1000114.4A266 K270 I271A266-P268 WeakPolarHBondContact O-CD 3.2Å; P268-K270 PolarHBondContact O-N 3.07Å; P268-I271 PolarHBondContact O-N 3.13Å
269G83.2Confident94.6Very high83 Ų8355.2 Ų55.286%0.85631%0.305SS*.G310 helixtrans-67.4-11.3-179.400000115.4E267E267-G269 PolarHBondContact O-N 3.1Å; E267-G269 VanDerWaalsContact O-N 3.1Å
270K89.3Confident94.6Very high109 Ų10949.4 Ų49.447%0.47428%0.283SS..G310 helixtrans-91.6-9.2177.4-67.4177.5178.4157.10113.2E267 P268 C301E267-K270 HydrophobicContact CB-CD 4.27Å; E267-K270 HydrophobicContact CB-CG 4.42Å; E267-K270 PolarHBondContact O-N 3.28Å; E267-K270 VanDerWaalsContact O-N 3.13Å; E267-K270 IonicContact OE1-NZ 3.4Å; E267-K270 PolarHBondContact OE1-NZ 3.49Å; E267-K270 WeakPolarHBondContact OE2-CE 3.41Å; E267-K270 IonicContact OE2-NZ 3.45Å; E267-K270 PolarHBondContact OE2-NZ 2.91Å; P268-K270 PolarHBondContact O-N 3.07Å; K270-C301 HydrophobicContact CB-CB 4.27Å
271I95.3Very high94.7Very high27 Ų2750.2 Ų50.214%0.13829%0.289CS..SBendtrans-83.4132.6-176.9-59.8171.7000109.5L257 C261 P268 C301 L305 N306L257-I271 HydrophobicContact CD1-CD1 4.11Å; L257-I271 HydrophobicContact CD2-CD1 4.42Å; L257-I271 HydrophobicContact CD2-CG2 4.33Å; L257-I271 HydrophobicContact CG-CD1 4.36Å; C261-I271 WeakPolarHBondContact SG-CD1 3.5Å; P268-I271 PolarHBondContact O-N 3.13Å; I271-C301 WeakPolarHBondContact CG1-O 3.37Å; I271-L305 HydrophobicContact CD1-CD1 4.05Å; I271-L305 HydrophobicContact CG1-CD1 4.18Å; I271-N306 WeakPolarHBondContact CG2-OD1 3.05Å
272R97.4Very high94.8Very high133 Ų13351.8 Ų51.850%0.50229%0.294SS..  trans-87.3113.8-179-57.6-69.3-82.9-179.8-3.8109.4G274 E275 L276 Y297 S302 N306R272-G274 PolarHBondContact O-N 3.49Å; R272-E275 HydrophobicContact CB-CB 3.94Å; R272-E275 WeakPolarHBondContact O-CB 3.45Å; R272-E275 PolarHBondContact O-N 2.68Å; R272-L276 PolarHBondContact O-N 3.25Å; R272-Y297 HydrophobicContact CB-CD2 3.99Å; R272-Y297 HydrophobicContact CB-CE2 4.24Å; R272-Y297 HydrophobicContact CB-CG 4.46Å; R272-Y297 HydrophobicContact CG-CD1 4.33Å; R272-Y297 HydrophobicContact CG-CD2 3.8Å; R272-Y297 HydrophobicContact CG-CE2 4.38Å; R272-Y297 HydrophobicContact CG-CG 3.77Å; R272-S302 PolarHBondContact N-OG 3.31Å; R272-N306 PolarHBondContact O-ND2 2.95Å
273E97.8Very high94.8Very high91 Ų9144.6 Ų44.643%0.42526%0.26SS..Hα-helixtrans-61-43.7-180-172.5-179.7177.500112.3L229 E275 L276 A277L229-E273 HydrophobicContact CD1-CG 4.04Å; L229-E273 HydrophobicContact CG-CG 3.85Å; L229-E273 PolarHBondContact N-OE1 3.45Å; L229-E273 VanDerWaalsContact N-OE1 3.14Å; E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.97Å; E273-L276 WeakPolarHBondContact O-CB 3.3Å; E273-L276 PolarHBondContact O-N 3.32Å; E273-L276 VanDerWaalsContact O-N 3.11Å; E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.31Å
274G98.3Very high94.9Very high6 Ų643.2 Ų43.26%0.06225%0.253CS..Hα-helixtrans-58-35.9175.200000113.7F226 N227 R272 A277 A278F226-G274 VanDerWaalsContact CB-O 3.28Å; F226-G274 WeakPolarHBondContact CB-O 3.22Å; F226-G274 WeakPolarHBondContact O-CA 3.27Å; N227-G274 PolarHBondContact O-N 3.26Å; R272-G274 PolarHBondContact O-N 3.49Å; G274-A277 WeakPolarHBondContact O-CB 3.37Å; G274-A277 PolarHBondContact O-N 3.47Å; G274-A278 PolarHBondContact O-N 2.9Å
275E98.5Very high94.9Very high0 Ų043.2 Ų43.20%026%0.262CS..Hα-helixtrans-67.3-41.5175.3-175.2173.7-117.500111.6V223 R272 E273 A277 A278 F279 Y297 S302 G303 N306V223-E275 HydrophobicContact CG1-CB 4.12Å; V223-E275 HydrophobicContact CG1-CG 3.76Å; R272-E275 HydrophobicContact CB-CB 3.94Å; R272-E275 WeakPolarHBondContact O-CB 3.45Å; R272-E275 PolarHBondContact O-N 2.68Å; E273-E275 VanDerWaalsContact C-N 3.27Å; E273-E275 PolarHBondContact O-N 2.97Å; E275-A277 VanDerWaalsContact C-N 3.34Å; E275-A278 PolarHBondContact O-N 3.39Å; E275-F279 HydrophobicContact CG-CE1 4Å; E275-F279 HydrophobicContact CG-CE2 4.3Å; E275-F279 HydrophobicContact CG-CZ 3.84Å; E275-F279 WeakPolarHBondContact O-CD1 3.43Å; E275-F279 WeakPolarHBondContact O-CG 3.49Å; E275-F279 PolarHBondContact O-N 3.46Å; E275-F279 VanDerWaalsContact O-N 3.07Å; E275-Y297 HydrophobicContact CB-CD2 4.06Å; E275-Y297 HydrophobicContact CB-CE2 4.01Å; E275-Y297 HydrophobicContact CG-CD2 4.41Å; E275-S302 WeakPolarHBondContact OE2-CB 3.18Å; E275-S302 PolarHBondContact OE2-OG 2.97Å; E275-G303 VanDerWaalsContact OE2-CA 3.29Å; E275-G303 WeakPolarHBondContact OE2-CA 3.32Å; E275-G303 PolarHBondContact OE2-N 3.28Å; E275-G303 VanDerWaalsContact OE2-N 3.12Å; E275-N306 PolarHBondContact OE2-ND2 2.89Å
276L98.5Very high95Very high7 Ų745.8 Ų45.84%0.03725%0.251CS..Hα-helixtrans-62.1-43.3173-175.365.9000111.4L229 T253 L257 R272 E273 A278 F279 V280 N306 V310L229-L276 HydrophobicContact CD1-CD2 4.22Å; L229-L276 HydrophobicContact CD2-CD2 4.33Å; L229-L276 HydrophobicContact CD2-CG 4.29Å; T253-L276 HydrophobicContact CG2-CD1 3.74Å; T253-L276 HydrophobicContact CG2-CG 4.45Å; L257-L276 HydrophobicContact CD2-CD2 3.77Å; R272-L276 PolarHBondContact O-N 3.25Å; E273-L276 WeakPolarHBondContact O-CB 3.3Å; E273-L276 PolarHBondContact O-N 3.32Å; E273-L276 VanDerWaalsContact O-N 3.11Å; L276-A278 PolarHBondContact O-N 3.11Å; L276-F279 PolarHBondContact O-N 3.16Å; L276-F279 VanDerWaalsContact O-N 3.15Å; L276-V280 HydrophobicContact CD1-CG2 4.42Å; L276-V280 HydrophobicContact CG-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CG2 2.98Å; L276-V280 PolarHBondContact O-N 3.18Å; L276-N306 HydrophobicContact CB-CB 4.5Å; L276-N306 HydrophobicContact CD1-CB 3.93Å; L276-V310 HydrophobicContact CD1-CG2 3.85Å
277A98.7Very high95.1Very high0 Ų045.5 Ų45.50%025%0.247CC..Hα-helixtrans-59.5-45.8177.600000111.9F226 S228 L229 V232 E273 G274 E275 F279 V280 S281F226-A277 HydrophobicContact CB-CB 4.1Å; F226-A277 HydrophobicContact CD1-CB 4.12Å; F226-A277 HydrophobicContact CG-CB 4.36Å; S228-A277 WeakPolarHBondContact O-CB 3.3Å; L229-A277 HydrophobicContact CD2-CB 3.96Å; L229-A277 HydrophobicContact CG-CB 4.34Å; V232-A277 HydrophobicContact CG2-CB 3.71Å; V232-A277 WeakPolarHBondContact CG2-O 3.42Å; E273-A277 WeakPolarHBondContact O-CB 3.36Å; E273-A277 PolarHBondContact O-N 3.31Å; G274-A277 WeakPolarHBondContact O-CB 3.37Å; G274-A277 PolarHBondContact O-N 3.47Å; E275-A277 VanDerWaalsContact C-N 3.34Å; A277-F279 VanDerWaalsContact C-N 3.3Å; A277-F279 PolarHBondContact O-N 2.86Å; A277-V280 PolarHBondContact O-N 2.92Å; A277-S281 WeakPolarHBondContact O-CB 3.3Å; A277-S281 PolarHBondContact O-N 2.8Å
278A98.7Very high95.4Very high0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-59.6-41.6174.300000112Y222 V223 F226 G274 E275 L276 Y282Y222-A278 HydrophobicContact CD1-CB 4.26Å; Y222-A278 HydrophobicContact CE1-CB 4.35Å; Y222-A278 WeakPolarHBondContact CE1-O 3.37Å; V223-A278 HydrophobicContact CB-CB 4.4Å; V223-A278 HydrophobicContact CG1-CB 4.37Å; F226-A278 HydrophobicContact CB-CB 4.31Å; F226-A278 HydrophobicContact CD2-CB 3.49Å; F226-A278 VanDerWaalsContact CD2-CB 3.49Å; F226-A278 HydrophobicContact CE2-CB 4.04Å; F226-A278 HydrophobicContact CG-CB 4.03Å; G274-A278 PolarHBondContact O-N 2.9Å; E275-A278 PolarHBondContact O-N 3.39Å; L276-A278 PolarHBondContact O-N 3.11Å; A278-Y282 WeakPolarHBondContact O-CB 3.4Å; A278-Y282 PolarHBondContact O-N 3.39Å
279F98.7Very high96.1Very high0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-68.9-45-179.7-73.19.5000112.1I218 V223 E275 L276 A277 Y282 A283 F290 P292 V293 I294 G303 N306 F307 V310I218-F279 HydrophobicContact CD1-CD1 4.28Å; I218-F279 HydrophobicContact CD1-CE1 4.14Å; V223-F279 HydrophobicContact CG1-CE1 4.48Å; V223-F279 HydrophobicContact CG2-CE1 4.02Å; E275-F279 HydrophobicContact CG-CE1 4Å; E275-F279 HydrophobicContact CG-CE2 4.3Å; E275-F279 HydrophobicContact CG-CZ 3.84Å; E275-F279 WeakPolarHBondContact O-CD1 3.43Å; E275-F279 WeakPolarHBondContact O-CG 3.49Å; E275-F279 PolarHBondContact O-N 3.46Å; E275-F279 VanDerWaalsContact O-N 3.07Å; L276-F279 PolarHBondContact O-N 3.16Å; L276-F279 VanDerWaalsContact O-N 3.15Å; A277-F279 VanDerWaalsContact C-N 3.3Å; A277-F279 PolarHBondContact O-N 2.86Å; F279-Y282 PolarHBondContact O-N 2.93Å; F279-A283 VanDerWaalsContact O-CB 3.25Å; F279-A283 WeakPolarHBondContact O-CB 3.33Å; F279-A283 PolarHBondContact O-N 3.02Å; F279-F290 HydrophobicContact CB-CE2 4.09Å; F279-F290 HydrophobicContact CB-CZ 3.92Å; F279-F290 HydrophobicContact CD2-CZ 4.3Å; F279-F290 HydrophobicContact CG-CE2 4.5Å; F279-F290 HydrophobicContact CG-CZ 4.19Å; F279-F290 WeakPolarHBondContact O-CE2 3.49Å; F279-P292 HydrophobicContact CD1-CB 3.71Å; F279-P292 HydrophobicContact CD1-CG 4.42Å; F279-P292 HydrophobicContact CD2-CB 4.35Å; F279-P292 HydrophobicContact CD2-CG 4.21Å; F279-P292 HydrophobicContact CE1-CB 3.48Å; F279-P292 VanDerWaalsContact CE1-CB 3.48Å; F279-P292 HydrophobicContact CE1-CG 4.28Å; F279-P292 HydrophobicContact CE2-CB 4.13Å; F279-P292 HydrophobicContact CE2-CG 4.05Å; F279-P292 HydrophobicContact CG-CB 4.17Å; F279-P292 HydrophobicContact CG-CG 4.41Å; F279-P292 HydrophobicContact CZ-CB 3.71Å; F279-P292 HydrophobicContact CZ-CG 4.1Å; F279-V293 WeakPolarHBondContact CZ-O 3.21Å; F279-I294 HydrophobicContact CE2-CG2 4.17Å; F279-I294 HydrophobicContact CZ-CG2 4.08Å; F279-G303 WeakPolarHBondContact CE2-O 3.27Å; F279-N306 HydrophobicContact CD2-CB 3.81Å; F279-N306 HydrophobicContact CE2-CB 3.96Å; F279-F307 HydrophobicContact CD2-CB 4.48Å; F279-F307 HydrophobicContact CE2-CB 4.2Å; F279-V310 HydrophobicContact CB-CG2 3.91Å
280V98.7Very high96.8Very high0 Ų042.4 Ų42.40%021%0.205CC..Hα-helixtrans-60.3-48.7174.5174.40000110V232 I249 I250 T253 L276 A277 Y282 A283 I284 V310V232-V280 HydrophobicContact CG1-CG1 3.96Å; I249-V280 HydrophobicContact CG2-CG1 3.82Å; I250-V280 HydrophobicContact CG1-CG1 4.37Å; T253-V280 HydrophobicContact CG2-CG2 3.88Å; L276-V280 HydrophobicContact CD1-CG2 4.42Å; L276-V280 HydrophobicContact CG-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CG2 2.98Å; L276-V280 PolarHBondContact O-N 3.18Å; A277-V280 PolarHBondContact O-N 2.92Å; V280-Y282 VanDerWaalsContact C-N 3.33Å; V280-Y282 PolarHBondContact O-N 3.5Å; V280-A283 WeakPolarHBondContact O-CB 3.48Å; V280-A283 PolarHBondContact O-N 2.75Å; V280-A283 VanDerWaalsContact O-N 3.15Å; V280-I284 HydrophobicContact CG1-CD1 4Å; V280-I284 HydrophobicContact CG1-CG1 4.46Å; V280-I284 VanDerWaalsContact O-CG1 3.3Å; V280-I284 WeakPolarHBondContact O-CG1 3.45Å; V280-I284 PolarHBondContact O-N 3.26Å; V280-V310 HydrophobicContact CG2-CG2 3.91Å
281S98.4Very high97.2Very high17 Ų1737.9 Ų37.912%0.11919%0.186CC..Hα-helixtrans-55.4-46.9177.3173.80000112Y222 F226 A277 I284 A285Y222-S281 PolarHBondContact OH-OG 3.47Å; F226-S281 WeakPolarHBondContact CZ-OG 3.45Å; A277-S281 WeakPolarHBondContact O-CB 3.3Å; A277-S281 PolarHBondContact O-N 2.8Å; S281-I284 PolarHBondContact O-N 3.46Å; S281-A285 PolarHBondContact O-N 3.27Å
282Y98.1Very high97.3Very high40 Ų4036.6 Ų36.616%0.15718%0.179CC..Hα-helixtrans-68-37.5177.9-164.7-100.2000112.9I218 Y222 A278 F279 V280 I284 A285 Y286 F290I218-Y282 HydrophobicContact CG2-CD1 3.54Å; I218-Y282 HydrophobicContact CG2-CD2 3.45Å; I218-Y282 VanDerWaalsContact CG2-CD2 3.45Å; I218-Y282 HydrophobicContact CG2-CE1 3.38Å; I218-Y282 HydrophobicContact CG2-CE2 3.27Å; I218-Y282 HydrophobicContact CG2-CG 3.57Å; Y222-Y282 HydrophobicContact CE1-CD2 4.22Å; A278-Y282 WeakPolarHBondContact O-CB 3.4Å; A278-Y282 PolarHBondContact O-N 3.39Å; F279-Y282 PolarHBondContact O-N 2.93Å; V280-Y282 VanDerWaalsContact C-N 3.33Å; V280-Y282 PolarHBondContact O-N 3.5Å; Y282-I284 VanDerWaalsContact C-N 3.3Å; Y282-I284 PolarHBondContact O-N 3.07Å; Y282-A285 PolarHBondContact O-N 3.23Å; Y282-Y286 HydrophobicContact CD1-CD2 4.43Å; Y282-Y286 AromaticContact CD2-CD2 3.92Å; Y282-Y286 HydrophobicContact CD2-CD2 3.92Å; Y282-Y286 HydrophobicContact CD2-CE2 4.32Å; Y282-Y286 HydrophobicContact CE1-CD2 4.04Å; Y282-Y286 HydrophobicContact CE1-CG 4.48Å; Y282-Y286 AromaticContact CE2-CD2 3.46Å; Y282-Y286 HydrophobicContact CE2-CD2 3.46Å; Y282-Y286 VanDerWaalsContact CE2-CD2 3.46Å; Y282-Y286 AromaticContact CE2-CE2 3.75Å; Y282-Y286 HydrophobicContact CE2-CE2 3.75Å; Y282-Y286 HydrophobicContact CG-CD2 4.38Å; Y282-Y286 AromaticContact CZ-CD2 3.54Å; Y282-Y286 PolarHBondContact O-N 3.25Å; Y282-F290 HydrophobicContact CD1-CD2 4.09Å
283A97.7Very high97.3Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-64.5-33.8176.300000112.4F279 V280 Y286 P287 F290 V310 L314F279-A283 VanDerWaalsContact O-CB 3.25Å; F279-A283 WeakPolarHBondContact O-CB 3.33Å; F279-A283 PolarHBondContact O-N 3.02Å; V280-A283 WeakPolarHBondContact O-CB 3.48Å; V280-A283 PolarHBondContact O-N 2.75Å; V280-A283 VanDerWaalsContact O-N 3.15Å; A283-Y286 CarbonylContact O-C 3.52Å; A283-P287 WeakPolarHBondContact O-CA 3.18Å; A283-P287 VanDerWaalsContact O-CB 3.25Å; A283-P287 WeakPolarHBondContact O-CB 3.3Å; A283-P287 VanDerWaalsContact O-CD 3.29Å; A283-P287 WeakPolarHBondContact O-CD 3.49Å; A283-F290 HydrophobicContact CB-CD2 3.81Å; A283-F290 HydrophobicContact CB-CE2 4.07Å; A283-F290 HydrophobicContact CB-CG 4.36Å; A283-V310 HydrophobicContact CB-CG1 3.54Å; A283-L314 HydrophobicContact CB-CD1 3.99Å; A283-L314 HydrophobicContact CB-CD2 4.2Å; A283-L314 HydrophobicContact CB-CG 4.32Å
284I97.2Very high97.3Very high24 Ų2425.9 Ų25.912%0.12314%0.135CC..Hα-helixtrans-66.4-43.3174.8-68.6171.5000111V232 P234 I249 V280 S281 Y282V232-I284 HydrophobicContact CG1-CD1 3.89Å; P234-I284 HydrophobicContact CG-CG2 3.76Å; P234-I284 WeakPolarHBondContact O-CD1 3.35Å; I249-I284 HydrophobicContact CG2-CD1 3.57Å; I249-I284 HydrophobicContact CG2-CG1 3.85Å; V280-I284 HydrophobicContact CG1-CD1 4Å; V280-I284 HydrophobicContact CG1-CG1 4.46Å; V280-I284 VanDerWaalsContact O-CG1 3.3Å; V280-I284 WeakPolarHBondContact O-CG1 3.45Å; V280-I284 PolarHBondContact O-N 3.26Å; S281-I284 PolarHBondContact O-N 3.46Å; Y282-I284 VanDerWaalsContact C-N 3.3Å; Y282-I284 PolarHBondContact O-N 3.07Å
285A95.9Very high97.3Very high58 Ų5826.4 Ų26.448%0.47914%0.136SC..Hα-helixtrans-71.5-37.2179.100000112.6S281 Y282S281-A285 PolarHBondContact O-N 3.27Å; Y282-A285 PolarHBondContact O-N 3.23Å
286Y95.4Very high97.2Very high123 Ų12327.7 Ų27.748%0.48215%0.145SC..  trans-135.761.4-172.1-56.4-72000112.9Y282 A283 Q288 N289 F290Y282-Y286 HydrophobicContact CD1-CD2 4.43Å; Y282-Y286 AromaticContact CD2-CD2 3.92Å; Y282-Y286 HydrophobicContact CD2-CD2 3.92Å; Y282-Y286 HydrophobicContact CD2-CE2 4.32Å; Y282-Y286 HydrophobicContact CE1-CD2 4.04Å; Y282-Y286 HydrophobicContact CE1-CG 4.48Å; Y282-Y286 AromaticContact CE2-CD2 3.46Å; Y282-Y286 HydrophobicContact CE2-CD2 3.46Å; Y282-Y286 VanDerWaalsContact CE2-CD2 3.46Å; Y282-Y286 AromaticContact CE2-CE2 3.75Å; Y282-Y286 HydrophobicContact CE2-CE2 3.75Å; Y282-Y286 HydrophobicContact CG-CD2 4.38Å; Y282-Y286 AromaticContact CZ-CD2 3.54Å; Y282-Y286 PolarHBondContact O-N 3.25Å; A283-Y286 CarbonylContact O-C 3.52Å; Y286-Q288 PolarHBondContact O-N 3.01Å; Y286-Q288 VanDerWaalsContact O-N 3.15Å; Y286-N289 CarbonylContact O-C 3.48Å; Y286-N289 PolarHBondContact O-N 2.56Å; Y286-F290 PolarHBondContact O-N 3.28Å
287P94.7Very high97.1Very high21 Ų2131.8 Ų31.814%0.13616%0.161CC..THydrogen-bonded Turntrans-65.5-25.2-170.325.2-35.3000113.9L237 A283 L314 Y319L237-P287 HydrophobicContact CD1-CG 4.5Å; L237-P287 HydrophobicContact CD2-CB 4.12Å; A283-P287 WeakPolarHBondContact O-CA 3.18Å; A283-P287 VanDerWaalsContact O-CB 3.25Å; A283-P287 WeakPolarHBondContact O-CB 3.3Å; A283-P287 VanDerWaalsContact O-CD 3.29Å; A283-P287 WeakPolarHBondContact O-CD 3.49Å; P287-L314 HydrophobicContact CB-CD2 3.78Å; P287-Y319 HydrophobicContact CB-CD1 3.72Å; P287-Y319 HydrophobicContact CB-CD2 3.79Å; P287-Y319 HydrophobicContact CB-CE1 3.88Å; P287-Y319 HydrophobicContact CB-CE2 3.93Å; P287-Y319 HydrophobicContact CB-CG 3.67Å; P287-Y319 HydrophobicContact CG-CD1 4.02Å; P287-Y319 HydrophobicContact CG-CE1 3.72Å; P287-Y319 HydrophobicContact CG-CE2 4.32Å; P287-Y319 HydrophobicContact CG-CG 4.43Å
288Q93.1Very high97Very high128 Ų12833.9 Ų33.960%0.59818%0.176SC*.THydrogen-bonded Turntrans-90.5-10.8175-64.9-152.646.600114.4Y286 Y319 V322Y286-Q288 PolarHBondContact O-N 3.01Å; Y286-Q288 VanDerWaalsContact O-N 3.15Å; Q288-Y319 HydrophobicContact CG-CD1 3.8Å; Q288-Y319 HydrophobicContact CG-CE1 4.38Å; Q288-V322 WeakPolarHBondContact O-CG2 3.39Å
289N94.1Very high96.9Very high106 Ų10634.9 Ų34.957%0.56718%0.181SC*.SBendtrans-123.530.3-176.6-66.2-46.8000111.6Y286 L291Y286-N289 CarbonylContact O-C 3.48Å; Y286-N289 PolarHBondContact O-N 2.56Å; N289-L291 PolarHBondContact O-N 3.09Å
290F97.6Very high96.7Very high0 Ų037 Ų370%020%0.204CC..  trans-70.7104.2-178.5-176.9-115.6000110.9F279 Y282 A283 Y286 P292 F307 V310 L314 P321 V322 G323F279-F290 HydrophobicContact CB-CE2 4.09Å; F279-F290 HydrophobicContact CB-CZ 3.92Å; F279-F290 HydrophobicContact CD2-CZ 4.3Å; F279-F290 HydrophobicContact CG-CE2 4.5Å; F279-F290 HydrophobicContact CG-CZ 4.19Å; F279-F290 WeakPolarHBondContact O-CE2 3.49Å; Y282-F290 HydrophobicContact CD1-CD2 4.09Å; A283-F290 HydrophobicContact CB-CD2 3.81Å; A283-F290 HydrophobicContact CB-CE2 4.07Å; A283-F290 HydrophobicContact CB-CG 4.36Å; Y286-F290 PolarHBondContact O-N 3.28Å; F290-P292 HydrophobicContact CE1-CG 4.01Å; F290-P292 HydrophobicContact CE2-CB 4.29Å; F290-P292 HydrophobicContact CE2-CG 3.96Å; F290-P292 HydrophobicContact CZ-CB 4.32Å; F290-P292 HydrophobicContact CZ-CG 3.58Å; F290-F307 HydrophobicContact CD1-CD2 4.14Å; F290-F307 AromaticContact CD1-CE2 3.86Å; F290-F307 HydrophobicContact CD1-CE2 3.86Å; F290-F307 AromaticContact CE1-CD2 3.44Å; F290-F307 HydrophobicContact CE1-CD2 3.44Å; F290-F307 VanDerWaalsContact CE1-CD2 3.44Å; F290-F307 AromaticContact CE1-CE2 3.63Å; F290-F307 HydrophobicContact CE1-CE2 3.63Å; F290-F307 HydrophobicContact CE1-CG 4.5Å; F290-F307 HydrophobicContact CZ-CD2 4.14Å; F290-V310 HydrophobicContact CD1-CG1 4.33Å; F290-V310 HydrophobicContact CE1-CB 3.96Å; F290-V310 HydrophobicContact CE1-CG1 3.69Å; F290-V310 HydrophobicContact CE2-CG1 3.98Å; F290-V310 HydrophobicContact CZ-CB 3.88Å; F290-V310 HydrophobicContact CZ-CG1 3.51Å; F290-L314 HydrophobicContact CB-CD1 3.62Å; F290-L314 HydrophobicContact CD1-CD1 3.77Å; F290-L314 HydrophobicContact CG-CD1 3.74Å; F290-P321 HydrophobicContact CB-CB 4.33Å; F290-P321 HydrophobicContact CD1-CB 4.01Å; F290-V322 PolarHBondContact O-N 3.38Å; F290-G323 PolarHBondContact O-N 3.35Å
291L97.6Very high96.5Very high14 Ų1439.8 Ų39.87%0.07322%0.222CC..  trans-141.784.1175.6-165.5144.4000110.4T217 N289 V322 G323 R325 I358 V360T217-L291 HydrophobicContact CG2-CD2 3.28Å; N289-L291 PolarHBondContact O-N 3.09Å; L291-V322 HydrophobicContact CB-CB 4.21Å; L291-V322 HydrophobicContact CD1-CB 4.06Å; L291-V322 HydrophobicContact CD1-CG1 3.66Å; L291-G323 WeakPolarHBondContact CA-O 3.32Å; L291-R325 HydrophobicContact CD2-CB 4.15Å; L291-I358 HydrophobicContact CD1-CD1 3.76Å; L291-I358 HydrophobicContact CD1-CG1 3.78Å; L291-V360 HydrophobicContact CD1-CG2 3.99Å; L291-V360 HydrophobicContact CD2-CG2 4.09Å
292P98.1Very high96.4Very high0 Ų039 Ų390%022%0.217CC..  trans-81.8162.2-179.233.2-36.3000112.9I218 F279 F290 I294 F307 G323 R325I218-P292 VanDerWaalsContact CD1-CA 3.48Å; I218-P292 HydrophobicContact CD1-CB 3.47Å; I218-P292 VanDerWaalsContact CD1-CB 3.47Å; I218-P292 HydrophobicContact CG1-CB 4.27Å; F279-P292 HydrophobicContact CD1-CB 3.71Å; F279-P292 HydrophobicContact CD1-CG 4.42Å; F279-P292 HydrophobicContact CD2-CB 4.35Å; F279-P292 HydrophobicContact CD2-CG 4.21Å; F279-P292 HydrophobicContact CE1-CB 3.48Å; F279-P292 VanDerWaalsContact CE1-CB 3.48Å; F279-P292 HydrophobicContact CE1-CG 4.28Å; F279-P292 HydrophobicContact CE2-CB 4.13Å; F279-P292 HydrophobicContact CE2-CG 4.05Å; F279-P292 HydrophobicContact CG-CB 4.17Å; F279-P292 HydrophobicContact CG-CG 4.41Å; F279-P292 HydrophobicContact CZ-CB 3.71Å; F279-P292 HydrophobicContact CZ-CG 4.1Å; F290-P292 HydrophobicContact CE1-CG 4.01Å; F290-P292 HydrophobicContact CE2-CB 4.29Å; F290-P292 HydrophobicContact CE2-CG 3.96Å; F290-P292 HydrophobicContact CZ-CB 4.32Å; F290-P292 HydrophobicContact CZ-CG 3.58Å; P292-I294 HydrophobicContact CG-CG2 4.21Å; P292-F307 HydrophobicContact CG-CD2 3.59Å; P292-F307 HydrophobicContact CG-CE2 4.33Å; P292-F307 HydrophobicContact CG-CG 4.5Å; P292-G323 WeakPolarHBondContact CD-O 3.07Å; P292-R325 PolarHBondContact O-N 2.87Å
293V97.9Very high96.4Very high0 Ų037.1 Ų37.10%021%0.209CC..BIsolated β-bridgetrans-87.5127.8163.966.60000109I218 H220 V223 F279 D295 R325 D327I218-V293 HydrophobicContact CD1-CG1 4.4Å; I218-V293 HydrophobicContact CG1-CB 4.38Å; I218-V293 HydrophobicContact CG1-CG1 3.88Å; H220-V293 WeakPolarHBondContact CE1-CG2 3.49Å; V223-V293 HydrophobicContact CG2-CG1 3.96Å; F279-V293 WeakPolarHBondContact CZ-O 3.21Å; V293-D295 WeakPolarHBondContact CG2-OD1 3.1Å; V293-R325 WeakPolarHBondContact CA-O 3.36Å; V293-R325 HydrophobicContact CB-CB 4.35Å; V293-R325 HydrophobicContact CG2-CB 4.45Å; V293-D327 HydrophobicContact CG2-CB 4.38Å
294I98.2Very high96.5Very high0 Ų037.3 Ų37.30%021%0.21CC..  trans-110.25.7-166.865.8167.5000114.6F279 P292 V299 L304 F307 V324 R325 L326 V338F279-I294 HydrophobicContact CE2-CG2 4.17Å; F279-I294 HydrophobicContact CZ-CG2 4.08Å; P292-I294 HydrophobicContact CG-CG2 4.21Å; I294-V299 HydrophobicContact CD1-CG1 3.91Å; I294-V299 HydrophobicContact CG1-CG1 4.4Å; I294-V299 WeakPolarHBondContact O-CA 3.24Å; I294-L304 HydrophobicContact CD1-CB 4.33Å; I294-L304 HydrophobicContact CD1-CD1 4.32Å; I294-F307 HydrophobicContact CG2-CB 4.13Å; I294-V324 HydrophobicContact CD1-CB 3.98Å; I294-V324 HydrophobicContact CD1-CG1 4.17Å; I294-V324 HydrophobicContact CD1-CG2 3.99Å; I294-V324 HydrophobicContact CG1-CB 4.29Å; I294-V324 HydrophobicContact CG2-CB 3.96Å; I294-V324 HydrophobicContact CG2-CG1 3.71Å; I294-R325 PolarHBondContact N-O 2.92Å; I294-R325 VanDerWaalsContact N-O 3.08Å; I294-L326 HydrophobicContact CD1-CD2 3.91Å; I294-L326 HydrophobicContact CG1-CD2 3.78Å; I294-V338 HydrophobicContact CD1-CG2 3.98Å
295D97.1Very high96.5Very high16 Ų1636.3 Ų36.39%0.08621%0.205CC..  trans-114.226.2-176.665.5-33.9000113.1H220 V293 Y297 V299 D327 S328H220-D295 IonicContact CE1-OD1 2.86Å; H220-D295 PolarHBondContact CE1-OD1 3.24Å; V293-D295 WeakPolarHBondContact CG2-OD1 3.1Å; D295-Y297 VanDerWaalsContact C-N 3.32Å; D295-Y297 PolarHBondContact O-N 3.27Å; D295-V299 HydrophobicContact CB-CG2 3.49Å; D295-V299 VanDerWaalsContact CB-CG2 3.49Å; D295-D327 PolarHBondContact OD1-N 2.98Å; D295-D327 VanDerWaalsContact OD2-CA 3.31Å; D295-D327 WeakPolarHBondContact OD2-CA 3.23Å; D295-D327 PolarHBondContact OD2-N 3.11Å; D295-S328 WeakPolarHBondContact OD2-CB 3.3Å; D295-S328 PolarHBondContact OD2-N 3.24Å; D295-S328 PolarHBondContact OD2-OG 3.08Å
296S97.1Very high96.6Very high27 Ų2733.5 Ų33.519%0.18918%0.182CC..SBendtrans-68-31.9176.1-59.10000112.8H220H220-S296 PolarHBondContact ND1-OG 3.33Å
297Y95.6Very high96.8Very high93 Ų9327.7 Ų27.737%0.36516%0.159SC..SBendtrans-127-61.1176.5-58.2-78.5000112.3V223 R272 E275 D295V223-Y297 HydrophobicContact CG1-CE2 4.39Å; R272-Y297 HydrophobicContact CB-CD2 3.99Å; R272-Y297 HydrophobicContact CB-CE2 4.24Å; R272-Y297 HydrophobicContact CB-CG 4.46Å; R272-Y297 HydrophobicContact CG-CD1 4.33Å; R272-Y297 HydrophobicContact CG-CD2 3.8Å; R272-Y297 HydrophobicContact CG-CE2 4.38Å; R272-Y297 HydrophobicContact CG-CG 3.77Å; E275-Y297 HydrophobicContact CB-CD2 4.06Å; E275-Y297 HydrophobicContact CB-CE2 4.01Å; E275-Y297 HydrophobicContact CG-CD2 4.41Å; D295-Y297 VanDerWaalsContact C-N 3.32Å; D295-Y297 PolarHBondContact O-N 3.27Å
298S96.2Very high97Very high45 Ų4526.7 Ų26.732%0.31515%0.153SC..  trans-156.5122.9177.5174.50000109.9C301 S302 G303S298-C301 WeakPolarHBondContact OG-CB 3.36Å; S298-C301 PolarHBondContact OG-N 2.64Å; S298-S302 PolarHBondContact O-N 2.99Å; S298-S302 VanDerWaalsContact O-N 3.15Å; S298-G303 PolarHBondContact O-N 2.65Å
299V96.8Very high97.2Very high20 Ų2020.6 Ų20.612%0.12113%0.125CC..Iπ-helixtrans-57.5-58.3-179.9176.70000110.8I294 D295 L304 L326 V338I294-V299 HydrophobicContact CD1-CG1 3.91Å; I294-V299 HydrophobicContact CG1-CG1 4.4Å; I294-V299 WeakPolarHBondContact O-CA 3.24Å; D295-V299 HydrophobicContact CB-CG2 3.49Å; D295-V299 VanDerWaalsContact CB-CG2 3.49Å; V299-L304 WeakPolarHBondContact O-CB 3.13Å; V299-L304 PolarHBondContact O-N 3.46Å; V299-L326 HydrophobicContact CG1-CD2 4.05Å; V299-L326 HydrophobicContact CG2-CD2 3.88Å; V299-V338 HydrophobicContact CG1-CG2 4.37Å
300G94.4Very high97.5Very high45 Ų4515.5 Ų15.546%0.46410%0.098SC..Iπ-helixtrans-79.7-29.9-172.600000114.6
301C94.8Very high97.5Very high58 Ų5815.5 Ų15.539%0.39210%0.098SC..Iπ-helixtrans-92.5-12.6-174.6-57.70000113.8K270 I271 S298K270-C301 HydrophobicContact CB-CB 4.27Å; I271-C301 WeakPolarHBondContact CG1-O 3.37Å; S298-C301 WeakPolarHBondContact OG-CB 3.36Å; S298-C301 PolarHBondContact OG-N 2.64Å
302S97.5Very high97.6Very high1 Ų114.9 Ų14.91%0.0079%0.094CC..Iπ-helixtrans-145.7-67.1-175.5-171.30000111.8R272 E275 S298 L304 L305 N306R272-S302 PolarHBondContact N-OG 3.31Å; E275-S302 WeakPolarHBondContact OE2-CB 3.18Å; E275-S302 PolarHBondContact OE2-OG 2.97Å; S298-S302 PolarHBondContact O-N 2.99Å; S298-S302 VanDerWaalsContact O-N 3.15Å; S302-L304 PolarHBondContact O-N 3.49Å; S302-L305 PolarHBondContact O-N 2.88Å; S302-L305 VanDerWaalsContact O-N 3.16Å; S302-N306 WeakPolarHBondContact O-CB 3.36Å; S302-N306 PolarHBondContact O-N 3.04Å; S302-N306 PolarHBondContact O-ND2 2.87Å; S302-N306 PolarHBondContact OG-ND2 2.65Å
303G97.9Very high97.6Very high0 Ų014.9 Ų14.90%09%0.094CC..Iπ-helixtrans-62.4-44-166.700000114.4E275 F279 S298 F307E275-G303 VanDerWaalsContact OE2-CA 3.29Å; E275-G303 WeakPolarHBondContact OE2-CA 3.32Å; E275-G303 PolarHBondContact OE2-N 3.28Å; E275-G303 VanDerWaalsContact OE2-N 3.12Å; F279-G303 WeakPolarHBondContact CE2-O 3.27Å; S298-G303 PolarHBondContact O-N 2.65Å; G303-F307 VanDerWaalsContact O-CB 3.29Å; G303-F307 WeakPolarHBondContact O-CB 3.37Å; G303-F307 PolarHBondContact O-N 2.78Å
304L98.3Very high97.6Very high4 Ų414.9 Ų14.92%0.0219%0.094CC..Hα-helixtrans-67.7-38.4178-176.655.5000112I294 V299 S302 F307 C308 V338 V341 F342I294-L304 HydrophobicContact CD1-CB 4.33Å; I294-L304 HydrophobicContact CD1-CD1 4.32Å; V299-L304 WeakPolarHBondContact O-CB 3.13Å; V299-L304 PolarHBondContact O-N 3.46Å; S302-L304 PolarHBondContact O-N 3.49Å; L304-F307 PolarHBondContact O-N 2.82Å; L304-C308 WeakPolarHBondContact O-CB 3.35Å; L304-C308 PolarHBondContact O-N 3.39Å; L304-C308 PolarHBondContact O-SG 3.25Å; L304-V338 HydrophobicContact CD1-CG1 4.18Å; L304-V338 HydrophobicContact CD1-CG2 4.21Å; L304-V338 HydrophobicContact CD2-CG2 4.14Å; L304-V341 HydrophobicContact CD1-CG1 4.46Å; L304-V341 HydrophobicContact CD2-CB 3.85Å; L304-V341 HydrophobicContact CD2-CG1 4.12Å; L304-V341 HydrophobicContact CD2-CG2 3.68Å; L304-V341 HydrophobicContact CG-CB 4.35Å; L304-V341 HydrophobicContact CG-CG1 4.12Å; L304-F342 HydrophobicContact CD1-CD1 4.43Å; L304-F342 HydrophobicContact CD1-CE1 3.78Å
305L98.4Very high97.6Very high3 Ų316 Ų162%0.01610%0.102CC..Hα-helixtrans-67.8-46.7178.4-54.6178.2000110.9L257 V260 M264 A266 I271 S302 F307 C308 A309L257-L305 HydrophobicContact CD1-CB 4.27Å; V260-L305 HydrophobicContact CG1-CB 4.29Å; V260-L305 HydrophobicContact CG1-CD2 3.88Å; M264-L305 HydrophobicContact CB-CD2 3.94Å; M264-L305 HydrophobicContact CG-CD2 3.73Å; A266-L305 HydrophobicContact CB-CD1 3.51Å; I271-L305 HydrophobicContact CD1-CD1 4.05Å; I271-L305 HydrophobicContact CG1-CD1 4.18Å; S302-L305 PolarHBondContact O-N 2.88Å; S302-L305 VanDerWaalsContact O-N 3.16Å; L305-F307 VanDerWaalsContact C-N 3.34Å; L305-F307 PolarHBondContact O-N 3.25Å; L305-C308 PolarHBondContact O-N 3.28Å; L305-A309 WeakPolarHBondContact O-CB 3.37Å; L305-A309 PolarHBondContact O-N 2.89Å
306N98.6Very high97.5Very high0 Ų020.7 Ų20.70%012%0.123CC..Hα-helixtrans-59.6-44.5174.8-74-22.9000111.3I271 R272 E275 L276 F279 S302 A309 V310I271-N306 WeakPolarHBondContact CG2-OD1 3.05Å; R272-N306 PolarHBondContact O-ND2 2.95Å; E275-N306 PolarHBondContact OE2-ND2 2.89Å; L276-N306 HydrophobicContact CB-CB 4.5Å; L276-N306 HydrophobicContact CD1-CB 3.93Å; F279-N306 HydrophobicContact CD2-CB 3.81Å; F279-N306 HydrophobicContact CE2-CB 3.96Å; S302-N306 WeakPolarHBondContact O-CB 3.36Å; S302-N306 PolarHBondContact O-N 3.04Å; S302-N306 PolarHBondContact O-ND2 2.87Å; S302-N306 PolarHBondContact OG-ND2 2.65Å; N306-A309 PolarHBondContact O-N 2.84Å; N306-V310 WeakPolarHBondContact O-CG2 3.33Å; N306-V310 PolarHBondContact O-N 3.13Å; N306-V310 VanDerWaalsContact O-N 3.08Å
307F98.7Very high97.5Very high0 Ų019.8 Ų19.80%012%0.116CC..Hα-helixtrans-58.8-52.2175168.2-95.2000111.5F279 F290 P292 I294 G303 L304 L305 A309 V310 A311 G323 V324 F342 F354 L357F279-F307 HydrophobicContact CD2-CB 4.48Å; F279-F307 HydrophobicContact CE2-CB 4.2Å; F290-F307 HydrophobicContact CD1-CD2 4.14Å; F290-F307 AromaticContact CD1-CE2 3.86Å; F290-F307 HydrophobicContact CD1-CE2 3.86Å; F290-F307 AromaticContact CE1-CD2 3.44Å; F290-F307 HydrophobicContact CE1-CD2 3.44Å; F290-F307 VanDerWaalsContact CE1-CD2 3.44Å; F290-F307 AromaticContact CE1-CE2 3.63Å; F290-F307 HydrophobicContact CE1-CE2 3.63Å; F290-F307 HydrophobicContact CE1-CG 4.5Å; F290-F307 HydrophobicContact CZ-CD2 4.14Å; P292-F307 HydrophobicContact CG-CD2 3.59Å; P292-F307 HydrophobicContact CG-CE2 4.33Å; P292-F307 HydrophobicContact CG-CG 4.5Å; I294-F307 HydrophobicContact CG2-CB 4.13Å; G303-F307 VanDerWaalsContact O-CB 3.29Å; G303-F307 WeakPolarHBondContact O-CB 3.37Å; G303-F307 PolarHBondContact O-N 2.78Å; L304-F307 PolarHBondContact O-N 2.82Å; L305-F307 VanDerWaalsContact C-N 3.34Å; L305-F307 PolarHBondContact O-N 3.25Å; F307-A309 VanDerWaalsContact C-N 3.28Å; F307-A309 PolarHBondContact O-N 2.96Å; F307-V310 PolarHBondContact O-N 2.9Å; F307-A311 HydrophobicContact CE1-CB 4.06Å; F307-A311 HydrophobicContact CE2-CB 4.24Å; F307-A311 HydrophobicContact CZ-CB 3.93Å; F307-A311 WeakPolarHBondContact O-CB 3.36Å; F307-A311 PolarHBondContact O-N 2.89Å; F307-G323 WeakPolarHBondContact CE2-O 3.23Å; F307-V324 HydrophobicContact CB-CG1 4.17Å; F307-V324 HydrophobicContact CD1-CG1 3.59Å; F307-V324 HydrophobicContact CD2-CG1 3.43Å; F307-V324 VanDerWaalsContact CD2-CG1 3.43Å; F307-V324 HydrophobicContact CE1-CG1 3.79Å; F307-V324 HydrophobicContact CE2-CG1 3.62Å; F307-V324 HydrophobicContact CG-CG1 3.4Å; F307-V324 VanDerWaalsContact CG-CG1 3.4Å; F307-V324 HydrophobicContact CZ-CG1 3.8Å; F307-F342 AromaticContact CD1-CE1 3.65Å; F307-F342 HydrophobicContact CD1-CE1 3.65Å; F307-F342 HydrophobicContact CD1-CZ 4.05Å; F307-F342 HydrophobicContact CE1-CD1 4.29Å; F307-F342 AromaticContact CE1-CE1 3.3Å; F307-F342 HydrophobicContact CE1-CE1 3.3Å; F307-F342 AromaticContact CE1-CZ 3.46Å; F307-F342 HydrophobicContact CE1-CZ 3.46Å; F307-F342 VanDerWaalsContact CE1-CZ 3.46Å; F307-F342 HydrophobicContact CZ-CE1 4.37Å; F307-F342 HydrophobicContact CZ-CZ 4.15Å; F307-F354 HydrophobicContact CE1-CE1 4.47Å; F307-L357 HydrophobicContact CE1-CD1 3.76Å; F307-L357 HydrophobicContact CZ-CD1 3.77Å; F307-L357 HydrophobicContact CZ-CD2 4.28Å
308C98.7Very high97.5Very high0 Ų017.2 Ų17.20%012%0.118CC..Hα-helixtrans-59.5-41-178.8-71.30000111.5V260 L304 L305 A311 L312 F354V260-C308 HydrophobicContact CG1-CB 3.98Å; V260-C308 HydrophobicContact CG2-CB 4.01Å; L304-C308 WeakPolarHBondContact O-CB 3.35Å; L304-C308 PolarHBondContact O-N 3.39Å; L304-C308 PolarHBondContact O-SG 3.25Å; L305-C308 PolarHBondContact O-N 3.28Å; C308-A311 PolarHBondContact O-N 3.38Å; C308-L312 WeakPolarHBondContact O-CB 3.46Å; C308-L312 WeakPolarHBondContact O-CD1 3.46Å; C308-L312 WeakPolarHBondContact O-CG 3.23Å; C308-L312 PolarHBondContact O-N 2.89Å; C308-F354 HydrophobicContact CB-CE1 4.27Å; C308-F354 HydrophobicContact CB-CZ 4.49Å
309A98.6Very high97.5Very high0 Ų016.2 Ų16.20%011%0.107CC..Hα-helixtrans-60.3-49.3177.200000112.4T253 W256 L257 L305 N306 F307 A313T253-A309 HydrophobicContact CG2-CB 4.07Å; W256-A309 HydrophobicContact CB-CB 4.3Å; L257-A309 HydrophobicContact CB-CB 3.73Å; L257-A309 HydrophobicContact CD1-CB 3.85Å; L257-A309 HydrophobicContact CG-CB 4.41Å; L305-A309 WeakPolarHBondContact O-CB 3.37Å; L305-A309 PolarHBondContact O-N 2.89Å; N306-A309 PolarHBondContact O-N 2.84Å; F307-A309 VanDerWaalsContact C-N 3.28Å; F307-A309 PolarHBondContact O-N 2.96Å; A309-A313 PolarHBondContact O-N 3.47Å
310V98.8Very high97.4Very high0 Ų022.1 Ų22.10%013%0.131CC..Hα-helixtrans-68-40.9179.4178.20000110.7T253 L276 F279 V280 A283 F290 N306 F307 A313 L314T253-V310 HydrophobicContact CG2-CG2 3.69Å; L276-V310 HydrophobicContact CD1-CG2 3.85Å; F279-V310 HydrophobicContact CB-CG2 3.91Å; V280-V310 HydrophobicContact CG2-CG2 3.91Å; A283-V310 HydrophobicContact CB-CG1 3.54Å; F290-V310 HydrophobicContact CD1-CG1 4.33Å; F290-V310 HydrophobicContact CE1-CB 3.96Å; F290-V310 HydrophobicContact CE1-CG1 3.69Å; F290-V310 HydrophobicContact CE2-CG1 3.98Å; F290-V310 HydrophobicContact CZ-CB 3.88Å; F290-V310 HydrophobicContact CZ-CG1 3.51Å; N306-V310 WeakPolarHBondContact O-CG2 3.33Å; N306-V310 PolarHBondContact O-N 3.13Å; N306-V310 VanDerWaalsContact O-N 3.08Å; F307-V310 PolarHBondContact O-N 2.9Å; V310-A313 WeakPolarHBondContact O-CB 3.48Å; V310-A313 PolarHBondContact O-N 3.03Å; V310-L314 HydrophobicContact CG1-CD1 4.37Å; V310-L314 WeakPolarHBondContact O-CB 3.19Å; V310-L314 WeakPolarHBondContact O-CG 3.5Å; V310-L314 PolarHBondContact O-N 2.96Å
311A98.7Very high97.5Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-64.3-39.8178.500000112.4F307 C308 L314 C315 P321 F354F307-A311 HydrophobicContact CE1-CB 4.06Å; F307-A311 HydrophobicContact CE2-CB 4.24Å; F307-A311 HydrophobicContact CZ-CB 3.93Å; F307-A311 WeakPolarHBondContact O-CB 3.36Å; F307-A311 PolarHBondContact O-N 2.89Å; C308-A311 PolarHBondContact O-N 3.38Å; A311-L314 PolarHBondContact O-N 3.32Å; A311-C315 PolarHBondContact O-N 3.09Å; A311-C315 PolarHBondContact O-SG 3.31Å; A311-P321 HydrophobicContact CB-CB 4.06Å; A311-P321 HydrophobicContact CB-CG 3.77Å; A311-F354 HydrophobicContact CB-CE2 4.15Å; A311-F354 HydrophobicContact CB-CZ 3.68Å
312L98.7Very high97.6Very high1 Ų119.9 Ų19.91%0.00511%0.107CC..Hα-helixtrans-66.4-43.6173.7-73.1163.5000111.2W256 V260 C308 L314 C315 E316 F349 V351 F354W256-L312 HydrophobicContact CB-CB 4.32Å; W256-L312 HydrophobicContact CD2-CB 3.64Å; W256-L312 HydrophobicContact CD2-CD1 4.25Å; W256-L312 HydrophobicContact CD2-CG 4.48Å; W256-L312 HydrophobicContact CE3-CB 3.9Å; W256-L312 HydrophobicContact CE3-CD1 3.67Å; W256-L312 HydrophobicContact CE3-CG 4.25Å; W256-L312 HydrophobicContact CG-CB 3.84Å; W256-L312 HydrophobicContact CZ3-CB 4.46Å; W256-L312 HydrophobicContact CZ3-CD1 4.14Å; W256-L312 HydrophobicContact CZ3-CD2 4.44Å; V260-L312 HydrophobicContact CG2-CD1 3.63Å; C308-L312 WeakPolarHBondContact O-CB 3.46Å; C308-L312 WeakPolarHBondContact O-CD1 3.46Å; C308-L312 WeakPolarHBondContact O-CG 3.23Å; C308-L312 PolarHBondContact O-N 2.89Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 2.94Å; L312-C315 PolarHBondContact O-N 3Å; L312-C315 VanDerWaalsContact O-N 3.16Å; L312-E316 PolarHBondContact O-N 3.3Å; L312-F349 HydrophobicContact CD1-CD2 3.69Å; L312-F349 HydrophobicContact CD1-CE2 3.87Å; L312-F349 HydrophobicContact CD1-CG 4.5Å; L312-F349 HydrophobicContact CD2-CB 4.11Å; L312-F349 HydrophobicContact CD2-CD2 4.03Å; L312-F349 HydrophobicContact CD2-CG 4.37Å; L312-V351 HydrophobicContact CD2-CB 4.21Å; L312-V351 HydrophobicContact CD2-CG2 3.78Å; L312-F354 HydrophobicContact CD2-CD2 4.4Å; L312-F354 HydrophobicContact CD2-CE2 3.62Å; L312-F354 HydrophobicContact CD2-CZ 4.03Å; L312-F354 HydrophobicContact CG-CE2 3.82Å; L312-F354 HydrophobicContact CG-CZ 3.76Å
313A98.4Very high97.7Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-58.3-44.7173.900000111.6L252 A309 V310 C315 E316 L317L252-A313 HydrophobicContact CD2-CB 3.92Å; L252-A313 HydrophobicContact CG-CB 3.9Å; A309-A313 PolarHBondContact O-N 3.47Å; V310-A313 WeakPolarHBondContact O-CB 3.48Å; V310-A313 PolarHBondContact O-N 3.03Å; A313-C315 PolarHBondContact O-N 3.21Å; A313-E316 PolarHBondContact O-N 2.85Å; A313-L317 VanDerWaalsContact O-CG 3.3Å; A313-L317 WeakPolarHBondContact O-CG 3.37Å; A313-L317 PolarHBondContact O-N 3.03Å; A313-L317 VanDerWaalsContact O-N 3.1Å
314L98.2Very high97.7Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-60.6-43.2174.4-75176.5000112.3L237 A283 P287 F290 V310 A311 L312 L317 G318 Y319 P321L237-L314 HydrophobicContact CD2-CD2 3.76Å; A283-L314 HydrophobicContact CB-CD1 3.99Å; A283-L314 HydrophobicContact CB-CD2 4.2Å; A283-L314 HydrophobicContact CB-CG 4.32Å; P287-L314 HydrophobicContact CB-CD2 3.78Å; F290-L314 HydrophobicContact CB-CD1 3.62Å; F290-L314 HydrophobicContact CD1-CD1 3.77Å; F290-L314 HydrophobicContact CG-CD1 3.74Å; V310-L314 HydrophobicContact CG1-CD1 4.37Å; V310-L314 WeakPolarHBondContact O-CB 3.19Å; V310-L314 WeakPolarHBondContact O-CG 3.5Å; V310-L314 PolarHBondContact O-N 2.96Å; A311-L314 PolarHBondContact O-N 3.32Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 2.94Å; L314-L317 CarbonylContact O-C 3.6Å; L314-L317 PolarHBondContact O-N 3.21Å; L314-G318 PolarHBondContact O-N 2.82Å; L314-Y319 HydrophobicContact CD2-CD2 4.05Å; L314-Y319 HydrophobicContact CD2-CG 4.42Å; L314-Y319 WeakPolarHBondContact O-CA 3.43Å; L314-Y319 WeakPolarHBondContact O-CB 3.47Å; L314-Y319 PolarHBondContact O-N 3.43Å; L314-P321 HydrophobicContact CD1-CB 4.31Å
315C97.3Very high97.7Very high24 Ų2420.8 Ų20.816%0.16211%0.11CC..Hα-helixtrans-63.9-40.7177.7-68.70000112.2A311 L312 A313 L317 G318 Y319 V351A311-C315 PolarHBondContact O-N 3.09Å; A311-C315 PolarHBondContact O-SG 3.31Å; L312-C315 PolarHBondContact O-N 3Å; L312-C315 VanDerWaalsContact O-N 3.16Å; A313-C315 PolarHBondContact O-N 3.21Å; C315-L317 PolarHBondContact O-N 3.35Å; C315-G318 PolarHBondContact O-N 2.99Å; C315-Y319 WeakPolarHBondContact CA-O 3.06Å; C315-V351 HydrophobicContact CB-CG1 3.69Å
316E96.5Very high97.7Very high114 Ų11420.6 Ų20.653%0.53311%0.109SC..Hα-helixtrans-61.8-35.4175.3-174.7172.3158.700111.8L252 W256 L312 A313 G318L252-E316 WeakPolarHBondContact CD1-OE2 3.41Å; W256-E316 WeakPolarHBondContact CZ2-OE2 3.47Å; W256-E316 PolarHBondContact NE1-OE2 2.69Å; L312-E316 PolarHBondContact O-N 3.3Å; A313-E316 PolarHBondContact O-N 2.85Å; E316-G318 PolarHBondContact O-N 2.9Å
317L96.3Very high97.5Very high8 Ų823 Ų234%0.04212%0.122CC..THydrogen-bonded Turntrans-80.73.3175.1-61.4174.6000113.8L237 T239 A240 V247 I249 L252 A313 L314 C315 Y319L237-L317 HydrophobicContact CB-CD1 4.18Å; L237-L317 HydrophobicContact CD2-CD1 3.91Å; L237-L317 HydrophobicContact CG-CD1 4.26Å; T239-L317 HydrophobicContact CG2-CD2 4.03Å; A240-L317 PolarHBondContact N-O 2.81Å; V247-L317 HydrophobicContact CB-CD2 3.83Å; V247-L317 HydrophobicContact CG1-CD2 4.05Å; V247-L317 HydrophobicContact CG2-CD2 3.64Å; I249-L317 HydrophobicContact CD1-CD1 3.85Å; L252-L317 HydrophobicContact CD2-CD1 4.03Å; L252-L317 HydrophobicContact CD2-CD2 4.08Å; L252-L317 HydrophobicContact CD2-CG 3.92Å; A313-L317 VanDerWaalsContact O-CG 3.3Å; A313-L317 WeakPolarHBondContact O-CG 3.37Å; A313-L317 PolarHBondContact O-N 3.03Å; A313-L317 VanDerWaalsContact O-N 3.1Å; L314-L317 CarbonylContact O-C 3.6Å; L314-L317 PolarHBondContact O-N 3.21Å; C315-L317 PolarHBondContact O-N 3.35Å; L317-Y319 HydrophobicContact CB-CD2 3.94Å; L317-Y319 HydrophobicContact CB-CE2 4.23Å
318G95.6Very high97.3Very high38 Ų3825.4 Ų25.439%0.39214%0.139SC..THydrogen-bonded Turntrans85.16.1177.400000115.3A240 L314 C315 E316A240-G318 VanDerWaalsContact CB-C 3.47Å; A240-G318 WeakPolarHBondContact CB-O 3.44Å; L314-G318 PolarHBondContact O-N 2.82Å; C315-G318 PolarHBondContact O-N 2.99Å; E316-G318 PolarHBondContact O-N 2.9Å
319Y96.4Very high97Very high25 Ų2527.9 Ų27.910%0.09816%0.164CC..  trans-86.7164.1175-63.7-70.3000112.4L237 V238 A240 P287 Q288 L314 C315 L317L237-Y319 HydrophobicContact CD1-CE2 4.41Å; L237-Y319 HydrophobicContact CD2-CD2 4.07Å; L237-Y319 HydrophobicContact CD2-CE2 3.74Å; L237-Y319 HydrophobicContact CG-CE2 3.96Å; V238-Y319 VanDerWaalsContact O-CE2 3.22Å; V238-Y319 WeakPolarHBondContact O-CE2 3.2Å; V238-Y319 PolarHBondContact O-OH 3.3Å; A240-Y319 HydrophobicContact CB-CD1 3.72Å; A240-Y319 HydrophobicContact CB-CD2 4.41Å; A240-Y319 HydrophobicContact CB-CE1 3.66Å; A240-Y319 HydrophobicContact CB-CE2 4.37Å; A240-Y319 HydrophobicContact CB-CG 4.11Å; P287-Y319 HydrophobicContact CB-CD1 3.72Å; P287-Y319 HydrophobicContact CB-CD2 3.79Å; P287-Y319 HydrophobicContact CB-CE1 3.88Å; P287-Y319 HydrophobicContact CB-CE2 3.93Å; P287-Y319 HydrophobicContact CB-CG 3.67Å; P287-Y319 HydrophobicContact CG-CD1 4.02Å; P287-Y319 HydrophobicContact CG-CE1 3.72Å; P287-Y319 HydrophobicContact CG-CE2 4.32Å; P287-Y319 HydrophobicContact CG-CG 4.43Å; Q288-Y319 HydrophobicContact CG-CD1 3.8Å; Q288-Y319 HydrophobicContact CG-CE1 4.38Å; L314-Y319 HydrophobicContact CD2-CD2 4.05Å; L314-Y319 HydrophobicContact CD2-CG 4.42Å; L314-Y319 WeakPolarHBondContact O-CA 3.43Å; L314-Y319 WeakPolarHBondContact O-CB 3.47Å; L314-Y319 PolarHBondContact O-N 3.43Å; C315-Y319 WeakPolarHBondContact CA-O 3.06Å; L317-Y319 HydrophobicContact CB-CD2 3.94Å; L317-Y319 HydrophobicContact CB-CE2 4.23Å
320K94.6Very high96.8Very high143 Ų14331.6 Ų31.662%0.62218%0.184SC*.  trans-119.6104.5178.6-67.9-175.4-178.9-179.80110.1
321P96.8Very high96.7Very high8 Ų832.3 Ų32.35%0.05219%0.187CC..  trans-63.2155.5169.524.7-31.7000110.9F290 A311 L314 T353 L357F290-P321 HydrophobicContact CB-CB 4.33Å; F290-P321 HydrophobicContact CD1-CB 4.01Å; A311-P321 HydrophobicContact CB-CB 4.06Å; A311-P321 HydrophobicContact CB-CG 3.77Å; L314-P321 HydrophobicContact CD1-CB 4.31Å; P321-T353 HydrophobicContact CG-CG2 4.4Å; P321-L357 HydrophobicContact CB-CD2 4.14Å; P321-L357 HydrophobicContact CG-CD2 4.07Å; P321-L357 VanDerWaalsContact O-CD2 3.28Å; P321-L357 WeakPolarHBondContact O-CD2 3.42Å
322V97.6Very high96.6Very high48 Ų4832.7 Ų32.729%0.29119%0.19SC..  trans-97-45.1-173.6-176.20000111.5Q288 F290 L291 L357 I358Q288-V322 WeakPolarHBondContact O-CG2 3.39Å; F290-V322 PolarHBondContact O-N 3.38Å; L291-V322 HydrophobicContact CB-CB 4.21Å; L291-V322 HydrophobicContact CD1-CB 4.06Å; L291-V322 HydrophobicContact CD1-CG1 3.66Å; V322-L357 WeakPolarHBondContact O-CA 3.45Å; V322-I358 HydrophobicContact CG1-CD1 3.87Å; V322-I358 HydrophobicContact CG1-CG1 4.09Å; V322-I358 PolarHBondContact O-N 3.31Å
323G98.1Very high96.5Very high0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans160.5-156.1-175.300000114.2F290 L291 P292 F307 I358F290-G323 PolarHBondContact O-N 3.35Å; L291-G323 WeakPolarHBondContact CA-O 3.32Å; P292-G323 WeakPolarHBondContact CD-O 3.07Å; F307-G323 WeakPolarHBondContact CE2-O 3.23Å; G323-I358 CarbonylContact C-O 3.6Å; G323-I358 WeakPolarHBondContact CA-O 3.39Å
324V98.6Very high96.4Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-133.2157179.1-64.30000112I294 F307 V338 F342 I358 I359 V360I294-V324 HydrophobicContact CD1-CB 3.98Å; I294-V324 HydrophobicContact CD1-CG1 4.17Å; I294-V324 HydrophobicContact CD1-CG2 3.99Å; I294-V324 HydrophobicContact CG1-CB 4.29Å; I294-V324 HydrophobicContact CG2-CB 3.96Å; I294-V324 HydrophobicContact CG2-CG1 3.71Å; F307-V324 HydrophobicContact CB-CG1 4.17Å; F307-V324 HydrophobicContact CD1-CG1 3.59Å; F307-V324 HydrophobicContact CD2-CG1 3.43Å; F307-V324 VanDerWaalsContact CD2-CG1 3.43Å; F307-V324 HydrophobicContact CE1-CG1 3.79Å; F307-V324 HydrophobicContact CE2-CG1 3.62Å; F307-V324 HydrophobicContact CG-CG1 3.4Å; F307-V324 VanDerWaalsContact CG-CG1 3.4Å; F307-V324 HydrophobicContact CZ-CG1 3.8Å; V324-V338 HydrophobicContact CG2-CG1 3.69Å; V324-F342 HydrophobicContact CG1-CZ 3.99Å; V324-F342 HydrophobicContact CG2-CE2 4.49Å; V324-F342 HydrophobicContact CG2-CZ 3.95Å; V324-I358 PolarHBondContact N-O 3.03Å; V324-I359 HydrophobicContact CG2-CG1 4.32Å; V324-V360 PolarHBondContact O-N 3.35Å
325R98.6Very high96.4Very high24 Ų2443.8 Ų43.89%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-112.1134.8168.4-171.3-175.677.5178.115.2111.3T217 I218 L291 P292 V293 I294 D327 V360 T362T217-R325 HydrophobicContact CG2-CB 4.43Å; T217-R325 WeakPolarHBondContact OG1-CD 3.26Å; T217-R325 PolarHBondContact OG1-NE 2.95Å; T217-R325 PolarHBondContact OG1-NH1 3.5Å; I218-R325 PolarHBondContact O-NH1 3.21Å; I218-R325 VanDerWaalsContact O-NH1 3.17Å; I218-R325 PolarHBondContact O-NH2 3.38Å; L291-R325 HydrophobicContact CD2-CB 4.15Å; P292-R325 PolarHBondContact O-N 2.87Å; V293-R325 WeakPolarHBondContact CA-O 3.36Å; V293-R325 HydrophobicContact CB-CB 4.35Å; V293-R325 HydrophobicContact CG2-CB 4.45Å; I294-R325 PolarHBondContact N-O 2.92Å; I294-R325 VanDerWaalsContact N-O 3.08Å; R325-D327 IonicContact NH2-OD2 3.46Å; R325-V360 CarbonylContact C-O 3.6Å; R325-V360 WeakPolarHBondContact CA-O 3.44Å; R325-V360 HydrophobicContact CB-CB 4.25Å; R325-V360 HydrophobicContact CG-CB 4.18Å; R325-V360 HydrophobicContact CG-CG1 4.23Å; R325-T362 HydrophobicContact CG-CG2 4.27Å
326L97.9Very high96.5Very high0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-109.3128.9167.6-64.4168000108.1I294 V299 L331 Q334 V338 I359 V360 T362I294-L326 HydrophobicContact CD1-CD2 3.91Å; I294-L326 HydrophobicContact CG1-CD2 3.78Å; V299-L326 HydrophobicContact CG1-CD2 4.05Å; V299-L326 HydrophobicContact CG2-CD2 3.88Å; L326-L331 HydrophobicContact CB-CD2 3.75Å; L326-Q334 HydrophobicContact CD1-CB 3.76Å; L326-Q334 HydrophobicContact CD2-CB 4.32Å; L326-V338 HydrophobicContact CD1-CG2 4.49Å; L326-I359 HydrophobicContact CD1-CG2 4.11Å; L326-V360 PolarHBondContact N-O 2.85Å; L326-T362 PolarHBondContact O-N 2.67Å; L326-T362 PolarHBondContact O-OG1 3.37Å
327D95.7Very high96.5Very high51 Ų5143.5 Ų43.527%0.27323%0.231SC..  trans-120.74.1-177.3-157.834.6000114.2H220 V293 D295 R325 T362 N363H220-D327 IonicContact CD2-OD2 2.8Å; H220-D327 IonicContact NE2-OD2 3.36Å; H220-D327 PolarHBondContact NE2-OD2 3.07Å; V293-D327 HydrophobicContact CG2-CB 4.38Å; D295-D327 PolarHBondContact OD1-N 2.98Å; D295-D327 VanDerWaalsContact OD2-CA 3.31Å; D295-D327 WeakPolarHBondContact OD2-CA 3.23Å; D295-D327 PolarHBondContact OD2-N 3.11Å; R325-D327 IonicContact NH2-OD2 3.46Å; D327-T362 CarbonylContact C-O 3.59Å; D327-T362 WeakPolarHBondContact CA-O 3.4Å; D327-T362 VanDerWaalsContact CG-OG1 3.29Å; D327-T362 VanDerWaalsContact OD1-CB 3.25Å; D327-T362 WeakPolarHBondContact OD1-CB 3.48Å; D327-T362 PolarHBondContact OD1-OG1 2.87Å; D327-N363 VanDerWaalsContact O-CB 3.26Å; D327-N363 WeakPolarHBondContact O-CB 3.06Å
328S94.3Very high96.7Very high50 Ų5043.1 Ų43.135%0.3523%0.229SC..SBendtrans-163.1162.6-175.169.30000112.8D295 Q334D295-S328 WeakPolarHBondContact OD2-CB 3.3Å; D295-S328 PolarHBondContact OD2-N 3.24Å; D295-S328 PolarHBondContact OD2-OG 3.08Å; S328-Q334 PolarHBondContact O-NE2 2.99Å; S328-Q334 PolarHBondContact O-OE1 3.1Å
329G92.4Very high96.8Very high51 Ų5142 Ų4253%0.52621%0.213SC..SBendtrans82.5-163.7-179.700000114L331G329-L331 PolarHBondContact O-N 2.85Å; G329-L331 VanDerWaalsContact O-N 3.15Å
330D94.3Very high96.9Very high79 Ų7947.6 Ų47.642%0.42223%0.234SC..  trans-80.491.3175.6-174.9-23000109.8C332 R333 Q334D330-C332 PolarHBondContact O-N 2.81Å; D330-C332 WeakPolarHBondContact OD1-CB 3.21Å; D330-C332 PolarHBondContact OD1-N 3.42Å; D330-C332 VanDerWaalsContact OD1-N 3.15Å; D330-R333 HydrophobicContact CB-CB 4.1Å; D330-R333 PolarHBondContact O-N 2.87Å; D330-R333 PolarHBondContact OD1-N 2.98Å; D330-R333 VanDerWaalsContact OD1-N 3.08Å; D330-Q334 WeakPolarHBondContact O-CB 3.22Å; D330-Q334 VanDerWaalsContact O-CG 3.28Å; D330-Q334 WeakPolarHBondContact O-CG 3.29Å; D330-Q334 PolarHBondContact O-N 3.32Å; D330-Q334 PolarHBondContact O-OE1 3.03Å
331L95.9Very high97.1Very high15 Ų1540.8 Ų40.88%0.07921%0.205CC..Hα-helixtrans-56.8-36-177.1-60-178.8000112.8L326 G329 S335 N363 I365 I380L326-L331 HydrophobicContact CB-CD2 3.75Å; G329-L331 PolarHBondContact O-N 2.85Å; G329-L331 VanDerWaalsContact O-N 3.15Å; L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.26Å; L331-S335 PolarHBondContact O-OG 3.23Å; L331-N363 HydrophobicContact CD1-CB 4.27Å; L331-I365 HydrophobicContact CD1-CD1 3.96Å; L331-I380 HydrophobicContact CB-CD1 4.02Å
332C96.1Very high97.1Very high8 Ų840.5 Ų40.55%0.05420%0.202CC..Hα-helixtrans-63.7-56.6178.8-70.60000109.8D330 Q334 S335 I336 L373 K376 N378D330-C332 PolarHBondContact O-N 2.81Å; D330-C332 WeakPolarHBondContact OD1-CB 3.21Å; D330-C332 PolarHBondContact OD1-N 3.42Å; D330-C332 VanDerWaalsContact OD1-N 3.15Å; C332-Q334 PolarHBondContact O-N 3.1Å; C332-S335 PolarHBondContact O-N 3.15Å; C332-S335 PolarHBondContact O-OG 3.3Å; C332-I336 PolarHBondContact O-N 3.31Å; C332-L373 WeakPolarHBondContact SG-CD2 3.43Å; C332-K376 HydrophobicContact CB-CB 4.16Å; C332-K376 HydrophobicContact CB-CD 4.32Å; C332-N378 HydrophobicContact CB-CB 4.17Å
333R96.5Very high97.2Very high192 Ų19243.5 Ų43.573%0.72521%0.209SC*.Hα-helixtrans-61.3-45.1-178.9-177.9-179.1172.4-178-1.6111.9D330 S335 I336 E337D330-R333 HydrophobicContact CB-CB 4.1Å; D330-R333 PolarHBondContact O-N 2.87Å; D330-R333 PolarHBondContact OD1-N 2.98Å; D330-R333 VanDerWaalsContact OD1-N 3.08Å; R333-S335 VanDerWaalsContact C-N 3.35Å; R333-S335 PolarHBondContact O-N 2.86Å; R333-I336 PolarHBondContact O-N 2.88Å; R333-E337 PolarHBondContact O-N 3.13Å
334Q97.7Very high97.2Very high41 Ų4146.2 Ų46.219%0.19222%0.223CC..Hα-helixtrans-63.6-40.5179.3-72.4167.6-33.100111.5L326 S328 D330 C332 I336 E337 V338L326-Q334 HydrophobicContact CD1-CB 3.76Å; L326-Q334 HydrophobicContact CD2-CB 4.32Å; S328-Q334 PolarHBondContact O-NE2 2.99Å; S328-Q334 PolarHBondContact O-OE1 3.1Å; D330-Q334 WeakPolarHBondContact O-CB 3.22Å; D330-Q334 VanDerWaalsContact O-CG 3.28Å; D330-Q334 WeakPolarHBondContact O-CG 3.29Å; D330-Q334 PolarHBondContact O-N 3.32Å; D330-Q334 PolarHBondContact O-OE1 3.03Å; C332-Q334 PolarHBondContact O-N 3.1Å; Q334-I336 VanDerWaalsContact C-N 3.31Å; Q334-I336 PolarHBondContact O-N 3.5Å; Q334-E337 PolarHBondContact O-N 3.4Å; Q334-V338 WeakPolarHBondContact O-CB 3.46Å; Q334-V338 VanDerWaalsContact O-CG2 3.26Å; Q334-V338 WeakPolarHBondContact O-CG2 3.13Å; Q334-V338 PolarHBondContact O-N 3.36Å
335S98Very high97.1Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-62.2-38.3178.872.10000112.8L331 C332 R333 V338 R339 I359 N378 E379L331-S335 WeakPolarHBondContact O-CB 3.47Å; L331-S335 PolarHBondContact O-N 3.26Å; L331-S335 PolarHBondContact O-OG 3.23Å; C332-S335 PolarHBondContact O-N 3.15Å; C332-S335 PolarHBondContact O-OG 3.3Å; R333-S335 VanDerWaalsContact C-N 3.35Å; R333-S335 PolarHBondContact O-N 2.86Å; S335-V338 PolarHBondContact O-N 2.87Å; S335-R339 WeakPolarHBondContact O-CB 3.49Å; S335-R339 PolarHBondContact O-N 3.19Å; S335-I359 WeakPolarHBondContact O-CD1 3.49Å; S335-N378 WeakPolarHBondContact OG-CA 3.25Å; S335-N378 WeakPolarHBondContact OG-CB 3.09Å; S335-E379 PolarHBondContact OG-N 2.89Å
336I98.3Very high97.1Very high59 Ų5945.6 Ų45.630%0.30322%0.222SC..Hα-helixtrans-63.4-47.3175.8-66169.8000110.2C332 R333 Q334 R339 R340 E377 E379C332-I336 PolarHBondContact O-N 3.31Å; R333-I336 PolarHBondContact O-N 2.88Å; Q334-I336 VanDerWaalsContact C-N 3.31Å; Q334-I336 PolarHBondContact O-N 3.5Å; I336-R339 PolarHBondContact O-N 3.18Å; I336-R340 WeakPolarHBondContact O-CB 3.22Å; I336-R340 PolarHBondContact O-N 2.99Å; I336-E377 HydrophobicContact CD1-CB 4.05Å; I336-E377 HydrophobicContact CD1-CG 3.94Å; I336-E377 WeakPolarHBondContact CD1-O 3.47Å; I336-E379 HydrophobicContact CG1-CG 4.47Å
337E98Very high97Very high74 Ų7452.2 Ų52.235%0.34625%0.253SS..Hα-helixtrans-64.6-42.5179.5-174.857.8-156.900111.6R333 Q334 R339 R340 V341R333-E337 PolarHBondContact O-N 3.13Å; Q334-E337 PolarHBondContact O-N 3.4Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 3.12Å; E337-R340 WeakPolarHBondContact O-CB 3.35Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 IonicContact OE1-NH1 3.23Å; E337-R340 IonicContact OE2-NH1 2.8Å; E337-R340 PolarHBondContact OE2-NH1 3.22Å; E337-V341 WeakPolarHBondContact O-CG2 3.44Å; E337-V341 PolarHBondContact O-N 3.06Å
338V98.6Very high97.2Very high0 Ų055.7 Ų55.70%027%0.267CS..Hα-helixtrans-56.6-48.9173.5168.20000110.7I294 V299 L304 V324 L326 Q334 S335 R340 V341 F342 I359I294-V338 HydrophobicContact CD1-CG2 3.98Å; V299-V338 HydrophobicContact CG1-CG2 4.37Å; L304-V338 HydrophobicContact CD1-CG1 4.18Å; L304-V338 HydrophobicContact CD1-CG2 4.21Å; L304-V338 HydrophobicContact CD2-CG2 4.14Å; V324-V338 HydrophobicContact CG2-CG1 3.69Å; L326-V338 HydrophobicContact CD1-CG2 4.49Å; Q334-V338 WeakPolarHBondContact O-CB 3.46Å; Q334-V338 VanDerWaalsContact O-CG2 3.26Å; Q334-V338 WeakPolarHBondContact O-CG2 3.13Å; Q334-V338 PolarHBondContact O-N 3.36Å; S335-V338 PolarHBondContact O-N 2.87Å; V338-R340 VanDerWaalsContact C-N 3.33Å; V338-R340 PolarHBondContact O-N 2.97Å; V338-V341 PolarHBondContact O-N 3.3Å; V338-F342 HydrophobicContact CG1-CD1 4.41Å; V338-F342 HydrophobicContact CG1-CD2 4.24Å; V338-F342 HydrophobicContact CG1-CE1 3.85Å; V338-F342 HydrophobicContact CG1-CE2 3.68Å; V338-F342 HydrophobicContact CG1-CZ 3.46Å; V338-F342 VanDerWaalsContact CG1-CZ 3.46Å; V338-F342 WeakPolarHBondContact O-CD1 3.47Å; V338-F342 WeakPolarHBondContact O-CG 3.49Å; V338-F342 PolarHBondContact O-N 2.96Å; V338-I359 HydrophobicContact CB-CD1 3.98Å; V338-I359 HydrophobicContact CG1-CD1 3.59Å; V338-I359 HydrophobicContact CG1-CG1 3.89Å
339R98.5Very high97.3Very high13 Ų1355.3 Ų55.35%0.04926%0.26CS..Hα-helixtrans-63.7-38.9179.3-176.564.562.5-160.9-6.4112S335 I336 E337 F342 R343 L357 I359 E379 N381S335-R339 WeakPolarHBondContact O-CB 3.49Å; S335-R339 PolarHBondContact O-N 3.19Å; I336-R339 PolarHBondContact O-N 3.18Å; E337-R339 VanDerWaalsContact C-N 3.34Å; E337-R339 PolarHBondContact O-N 3.12Å; R339-F342 WeakPolarHBondContact O-CB 3.43Å; R339-F342 PolarHBondContact O-N 2.9Å; R339-R343 WeakPolarHBondContact O-CG 3.41Å; R339-R343 PolarHBondContact O-N 3.34Å; R339-L357 VanDerWaalsContact CZ-O 3.25Å; R339-L357 PolarHBondContact NH1-O 2.9Å; R339-L357 PolarHBondContact NH2-O 2.94Å; R339-I359 HydrophobicContact CB-CD1 4.18Å; R339-E379 HydrophobicContact CB-CB 3.75Å; R339-E379 HydrophobicContact CB-CG 3.65Å; R339-E379 HydrophobicContact CG-CB 4.19Å; R339-E379 HydrophobicContact CG-CG 3.83Å; R339-E379 IonicContact NE-OE2 3.41Å; R339-N381 PolarHBondContact NH2-OD1 2.79Å
340R98.1Very high97.5Very high143 Ų14358.1 Ų58.154%0.5427%0.271SS..Hα-helixtrans-58.6-48.9175.2-179.5-170.5176.2-166.4-0.3110.9I336 E337 V338 F342 R343 L344I336-R340 WeakPolarHBondContact O-CB 3.22Å; I336-R340 PolarHBondContact O-N 2.99Å; E337-R340 WeakPolarHBondContact O-CB 3.35Å; E337-R340 PolarHBondContact O-N 3.15Å; E337-R340 IonicContact OE1-NH1 3.23Å; E337-R340 IonicContact OE2-NH1 2.8Å; E337-R340 PolarHBondContact OE2-NH1 3.22Å; V338-R340 VanDerWaalsContact C-N 3.33Å; V338-R340 PolarHBondContact O-N 2.97Å; R340-F342 VanDerWaalsContact C-N 3.29Å; R340-F342 PolarHBondContact O-N 2.71Å; R340-R343 PolarHBondContact O-N 3.34Å; R340-L344 HydrophobicContact CG-CD1 4.34Å; R340-L344 WeakPolarHBondContact O-CG 3.48Å; R340-L344 PolarHBondContact O-N 3.42Å
341V98.3Very high97.6Very high1 Ų155.6 Ų55.61%0.00626%0.259CS..Hα-helixtrans-62.7-37.3177.1176.10000111.4M264 L304 E337 V338 L344 C345M264-V341 HydrophobicContact CE-CG2 3.48Å; M264-V341 VanDerWaalsContact CE-CG2 3.48Å; M264-V341 HydrophobicContact SD-CB 4.5Å; M264-V341 HydrophobicContact SD-CG1 4.02Å; M264-V341 HydrophobicContact SD-CG2 3.89Å; L304-V341 HydrophobicContact CD1-CG1 4.46Å; L304-V341 HydrophobicContact CD2-CB 3.85Å; L304-V341 HydrophobicContact CD2-CG1 4.12Å; L304-V341 HydrophobicContact CD2-CG2 3.68Å; L304-V341 HydrophobicContact CG-CB 4.35Å; L304-V341 HydrophobicContact CG-CG1 4.12Å; E337-V341 WeakPolarHBondContact O-CG2 3.44Å; E337-V341 PolarHBondContact O-N 3.06Å; V338-V341 PolarHBondContact O-N 3.3Å; V341-L344 PolarHBondContact O-N 3.46Å; V341-C345 WeakPolarHBondContact O-CB 3.46Å; V341-C345 PolarHBondContact O-N 3.22Å; V341-C345 PolarHBondContact O-SG 2.96Å
342F98.6Very high97.5Very high1 Ų159.2 Ų59.20%0.00429%0.285CS..Hα-helixtrans-62.1-45174.9-68.7-5.7000112.5L304 F307 V324 V338 R339 R340 C345 S346 F354 L357 I359L304-F342 HydrophobicContact CD1-CD1 4.43Å; L304-F342 HydrophobicContact CD1-CE1 3.78Å; F307-F342 AromaticContact CD1-CE1 3.65Å; F307-F342 HydrophobicContact CD1-CE1 3.65Å; F307-F342 HydrophobicContact CD1-CZ 4.05Å; F307-F342 HydrophobicContact CE1-CD1 4.29Å; F307-F342 AromaticContact CE1-CE1 3.3Å; F307-F342 HydrophobicContact CE1-CE1 3.3Å; F307-F342 AromaticContact CE1-CZ 3.46Å; F307-F342 HydrophobicContact CE1-CZ 3.46Å; F307-F342 VanDerWaalsContact CE1-CZ 3.46Å; F307-F342 HydrophobicContact CZ-CE1 4.37Å; F307-F342 HydrophobicContact CZ-CZ 4.15Å; V324-F342 HydrophobicContact CG1-CZ 3.99Å; V324-F342 HydrophobicContact CG2-CE2 4.49Å; V324-F342 HydrophobicContact CG2-CZ 3.95Å; V338-F342 HydrophobicContact CG1-CD1 4.41Å; V338-F342 HydrophobicContact CG1-CD2 4.24Å; V338-F342 HydrophobicContact CG1-CE1 3.85Å; V338-F342 HydrophobicContact CG1-CE2 3.68Å; V338-F342 HydrophobicContact CG1-CZ 3.46Å; V338-F342 VanDerWaalsContact CG1-CZ 3.46Å; V338-F342 WeakPolarHBondContact O-CD1 3.47Å; V338-F342 WeakPolarHBondContact O-CG 3.49Å; V338-F342 PolarHBondContact O-N 2.96Å; R339-F342 WeakPolarHBondContact O-CB 3.43Å; R339-F342 PolarHBondContact O-N 2.9Å; R340-F342 VanDerWaalsContact C-N 3.29Å; R340-F342 PolarHBondContact O-N 2.71Å; F342-C345 PolarHBondContact O-N 3.23Å; F342-S346 WeakPolarHBondContact O-CB 3.28Å; F342-S346 PolarHBondContact O-N 3.04Å; F342-F354 HydrophobicContact CB-CB 4.48Å; F342-F354 HydrophobicContact CB-CD1 4.14Å; F342-F354 AromaticContact CD1-CD1 3.95Å; F342-F354 HydrophobicContact CD1-CD1 3.95Å; F342-F354 HydrophobicContact CD1-CE1 4.23Å; F342-F354 HydrophobicContact CG-CD1 4.19Å; F342-F354 WeakPolarHBondContact O-CB 3.31Å; F342-L357 HydrophobicContact CD1-CD1 4.23Å; F342-L357 HydrophobicContact CD2-CB 3.72Å; F342-L357 HydrophobicContact CD2-CD1 3.98Å; F342-L357 HydrophobicContact CD2-CG 4.5Å; F342-L357 HydrophobicContact CE1-CD1 4.18Å; F342-L357 HydrophobicContact CE2-CB 3.52Å; F342-L357 HydrophobicContact CE2-CD1 3.91Å; F342-L357 HydrophobicContact CE2-CG 4.39Å; F342-L357 HydrophobicContact CG-CD1 4.15Å; F342-L357 HydrophobicContact CZ-CB 4.3Å; F342-L357 HydrophobicContact CZ-CD1 4Å; F342-I359 HydrophobicContact CE2-CG1 4.27Å
343R98.3Very high97.5Very high112 Ų11260 Ų6042%0.42329%0.29SS..Hα-helixtrans-60.6-46.3175.8-69.6176.4-174.9137.86.5111R339 R340 C345 S346 E347 E379R339-R343 WeakPolarHBondContact O-CG 3.41Å; R339-R343 PolarHBondContact O-N 3.34Å; R340-R343 PolarHBondContact O-N 3.34Å; R343-C345 PolarHBondContact O-N 3.11Å; R343-S346 WeakPolarHBondContact O-CB 3.27Å; R343-S346 PolarHBondContact O-N 2.83Å; R343-E347 WeakPolarHBondContact O-CG 3.44Å; R343-E347 PolarHBondContact O-N 3.12Å; R343-E379 IonicContact CZ-OE1 3.46Å; R343-E379 IonicContact NH1-OE1 2.9Å; R343-E379 IonicContact NH2-OE1 3.96Å; R343-E379 PolarHBondContact NH2-OE1 2.86Å; R343-E379 IonicContact NH2-OE2 3.67Å
344L97.9Very high97.6Very high57 Ų5750.9 Ų50.930%0.29826%0.256SS..Hα-helixtrans-59.3-45.6176.9-70.7172.7000112.6L263 M264 R340 V341 E347 Q348L263-L344 HydrophobicContact CD2-CB 4.4Å; M264-L344 HydrophobicContact SD-CD1 4.41Å; R340-L344 HydrophobicContact CG-CD1 4.34Å; R340-L344 WeakPolarHBondContact O-CG 3.48Å; R340-L344 PolarHBondContact O-N 3.42Å; V341-L344 PolarHBondContact O-N 3.46Å; L344-E347 PolarHBondContact O-N 2.85Å; L344-Q348 WeakPolarHBondContact O-CB 3.45Å; L344-Q348 PolarHBondContact O-N 3.03Å
345C97.8Very high97.4Very high0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-64.5-40.7176.5-67.60000111.6V341 F342 R343 F349 F354V341-C345 WeakPolarHBondContact O-CB 3.46Å; V341-C345 PolarHBondContact O-N 3.22Å; V341-C345 PolarHBondContact O-SG 2.96Å; F342-C345 PolarHBondContact O-N 3.23Å; R343-C345 PolarHBondContact O-N 3.11Å; C345-F349 HydrophobicContact CB-CD2 4.2Å; C345-F349 WeakPolarHBondContact O-CB 3.32Å; C345-F349 WeakPolarHBondContact O-CD2 3.46Å; C345-F349 PolarHBondContact O-N 3.22Å; C345-F354 HydrophobicContact CB-CD1 3.76Å; C345-F354 HydrophobicContact CB-CE1 3.81Å; C345-F354 HydrophobicContact CB-CG 4.27Å; C345-F354 HydrophobicContact CB-CZ 4.39Å
346S97.5Very high97.3Very high11 Ų1157.7 Ų57.78%0.07730%0.3CS..Hα-helixtrans-60.1-45.5176.4-176.90000111.8F342 R343 S350 V351 N355F342-S346 WeakPolarHBondContact O-CB 3.28Å; F342-S346 PolarHBondContact O-N 3.04Å; R343-S346 WeakPolarHBondContact O-CB 3.27Å; R343-S346 PolarHBondContact O-N 2.83Å; S346-S350 CarbonylContact O-C 3.44Å; S346-S350 VanDerWaalsContact O-CA 3.23Å; S346-S350 WeakPolarHBondContact O-CA 3.33Å; S346-S350 PolarHBondContact O-N 3.4Å; S346-S350 VanDerWaalsContact O-N 3.08Å; S346-V351 PolarHBondContact O-N 2.93Å; S346-V351 PolarHBondContact OG-O 2.91Å; S346-N355 PolarHBondContact OG-ND2 2.94Å; S346-N355 PolarHBondContact OG-OD1 3.11Å
347E97.3Very high97.3Very high138 Ų13854.9 Ų54.965%0.64529%0.286SS*.Hα-helixtrans-70.9-52.6-178.1-71.8168.5-169.900110.8R343 L344 F349 S350R343-E347 WeakPolarHBondContact O-CG 3.44Å; R343-E347 PolarHBondContact O-N 3.12Å; L344-E347 PolarHBondContact O-N 2.85Å; E347-F349 PolarHBondContact O-N 3.36Å; E347-S350 PolarHBondContact O-N 3.24Å
348Q97.9Very high97.3Very high124 Ų12452.8 Ų52.858%0.57928%0.277SS*.Hα-helixtrans-65.8-39.8-174.4-175.862.621.800112.9L263 L344L263-Q348 HydrophobicContact CD1-CB 4.22Å; L263-Q348 HydrophobicContact CD1-CG 4.01Å; L263-Q348 HydrophobicContact CD2-CB 4.04Å; L263-Q348 HydrophobicContact CD2-CG 4.24Å; L344-Q348 WeakPolarHBondContact O-CB 3.45Å; L344-Q348 PolarHBondContact O-N 3.03Å
349F97.6Very high97.3Very high43 Ų4352.8 Ų52.819%0.18928%0.277CS..THydrogen-bonded Turntrans-102.83.6-176-53.8-56.4000113.1W256 R259 V260 L263 L312 C345 E347 V351W256-F349 HydrophobicContact CZ3-CB 4.31Å; W256-F349 AromaticContact CZ3-CD1 3.77Å; W256-F349 HydrophobicContact CZ3-CD1 3.77Å; W256-F349 HydrophobicContact CZ3-CD2 4.4Å; W256-F349 HydrophobicContact CZ3-CE1 4.17Å; W256-F349 AromaticContact CZ3-CG 3.9Å; W256-F349 HydrophobicContact CZ3-CG 3.9Å; R259-F349 HydrophobicContact CB-CE1 4.03Å; R259-F349 HydrophobicContact CB-CZ 3.94Å; V260-F349 HydrophobicContact CG2-CE2 4.3Å; L263-F349 HydrophobicContact CB-CZ 4.45Å; L263-F349 HydrophobicContact CD2-CE2 3.75Å; L263-F349 HydrophobicContact CD2-CZ 4.06Å; L312-F349 HydrophobicContact CD1-CD2 3.69Å; L312-F349 HydrophobicContact CD1-CE2 3.87Å; L312-F349 HydrophobicContact CD1-CG 4.5Å; L312-F349 HydrophobicContact CD2-CB 4.11Å; L312-F349 HydrophobicContact CD2-CD2 4.03Å; L312-F349 HydrophobicContact CD2-CG 4.37Å; C345-F349 HydrophobicContact CB-CD2 4.2Å; C345-F349 WeakPolarHBondContact O-CB 3.32Å; C345-F349 WeakPolarHBondContact O-CD2 3.46Å; C345-F349 PolarHBondContact O-N 3.22Å; E347-F349 PolarHBondContact O-N 3.36Å; F349-V351 HydrophobicContact CB-CG2 4.1Å; F349-V351 WeakPolarHBondContact O-CG2 3.37Å; F349-V351 PolarHBondContact O-N 2.93Å
350S96.7Very high97.3Very high110 Ų11052.4 Ų52.477%0.76928%0.276SS*.THydrogen-bonded Turntrans55.236-179.1-60.50000113.8S346 E347S346-S350 CarbonylContact O-C 3.44Å; S346-S350 VanDerWaalsContact O-CA 3.23Å; S346-S350 WeakPolarHBondContact O-CA 3.33Å; S346-S350 PolarHBondContact O-N 3.4Å; S346-S350 VanDerWaalsContact O-N 3.08Å; E347-S350 PolarHBondContact O-N 3.24Å
351V95.8Very high97.2Very high26 Ų2645.7 Ų45.716%0.15825%0.251CS..  trans-108.290.5-179.5-173.70000110.5L312 C315 S346 F349 T353 F354L312-V351 HydrophobicContact CD2-CB 4.21Å; L312-V351 HydrophobicContact CD2-CG2 3.78Å; C315-V351 HydrophobicContact CB-CG1 3.69Å; S346-V351 PolarHBondContact O-N 2.93Å; S346-V351 PolarHBondContact OG-O 2.91Å; F349-V351 HydrophobicContact CB-CG2 4.1Å; F349-V351 WeakPolarHBondContact O-CG2 3.37Å; F349-V351 PolarHBondContact O-N 2.93Å; V351-T353 PolarHBondContact O-N 3.45Å; V351-T353 VanDerWaalsContact O-N 3.1Å; V351-F354 HydrophobicContact CB-CD2 4.25Å; V351-F354 HydrophobicContact CG1-CD2 3.96Å; V351-F354 HydrophobicContact CG1-CE2 4.35Å; V351-F354 PolarHBondContact O-N 2.93Å
352S94.4Very high96.9Very high90 Ų9046.2 Ų46.263%0.62925%0.254SS*.G310 helixtrans-61.9-21.2-174.162.10000114.9F354 N355S352-F354 PolarHBondContact O-N 3Å; S352-F354 VanDerWaalsContact O-N 3.15Å; S352-N355 WeakPolarHBondContact O-CB 3.39Å; S352-N355 PolarHBondContact O-N 2.91Å; S352-N355 VanDerWaalsContact O-N 3.08Å; S352-N355 PolarHBondContact O-ND2 2.9Å
353T95.8Very high96.4Very high26 Ų2649.7 Ų49.716%0.1627%0.272CS..G310 helixtrans-52.6-35176-55.70000112.3P321 V351 N355 S356P321-T353 HydrophobicContact CG-CG2 4.4Å; V351-T353 PolarHBondContact O-N 3.45Å; V351-T353 VanDerWaalsContact O-N 3.1Å; T353-N355 PolarHBondContact O-N 2.92Å; T353-S356 PolarHBondContact O-N 3.2Å; T353-S356 PolarHBondContact O-OG 3.12Å
354F97.6Very high95.9Very high0 Ų049.5 Ų49.50%028%0.28CS..G310 helixtrans-60.8-27.4-179.2-88.7-105.2000113.7F307 C308 A311 L312 F342 C345 V351 S352 S356 L357F307-F354 HydrophobicContact CE1-CE1 4.47Å; C308-F354 HydrophobicContact CB-CE1 4.27Å; C308-F354 HydrophobicContact CB-CZ 4.49Å; A311-F354 HydrophobicContact CB-CE2 4.15Å; A311-F354 HydrophobicContact CB-CZ 3.68Å; L312-F354 HydrophobicContact CD2-CD2 4.4Å; L312-F354 HydrophobicContact CD2-CE2 3.62Å; L312-F354 HydrophobicContact CD2-CZ 4.03Å; L312-F354 HydrophobicContact CG-CE2 3.82Å; L312-F354 HydrophobicContact CG-CZ 3.76Å; F342-F354 HydrophobicContact CB-CB 4.48Å; F342-F354 HydrophobicContact CB-CD1 4.14Å; F342-F354 AromaticContact CD1-CD1 3.95Å; F342-F354 HydrophobicContact CD1-CD1 3.95Å; F342-F354 HydrophobicContact CD1-CE1 4.23Å; F342-F354 HydrophobicContact CG-CD1 4.19Å; F342-F354 WeakPolarHBondContact O-CB 3.31Å; C345-F354 HydrophobicContact CB-CD1 3.76Å; C345-F354 HydrophobicContact CB-CE1 3.81Å; C345-F354 HydrophobicContact CB-CG 4.27Å; C345-F354 HydrophobicContact CB-CZ 4.39Å; V351-F354 HydrophobicContact CB-CD2 4.25Å; V351-F354 HydrophobicContact CG1-CD2 3.96Å; V351-F354 HydrophobicContact CG1-CE2 4.35Å; V351-F354 PolarHBondContact O-N 2.93Å; S352-F354 PolarHBondContact O-N 3Å; S352-F354 VanDerWaalsContact O-N 3.15Å; F354-S356 PolarHBondContact O-N 3.07Å; F354-L357 HydrophobicContact CB-CD1 4.26Å; F354-L357 HydrophobicContact CD1-CD1 3.64Å; F354-L357 HydrophobicContact CD2-CD1 4.42Å; F354-L357 HydrophobicContact CE1-CD1 4.04Å; F354-L357 HydrophobicContact CG-CD1 3.87Å; F354-L357 PolarHBondContact O-N 2.86Å
355N95.2Very high95.7Very high94 Ų9447 Ų4750%0.50327%0.267SS..G310 helixtrans-68-22.9176.3-63.9-41.2000113S346 S352 T353S346-N355 PolarHBondContact OG-ND2 2.94Å; S346-N355 PolarHBondContact OG-OD1 3.11Å; S352-N355 WeakPolarHBondContact O-CB 3.39Å; S352-N355 PolarHBondContact O-N 2.91Å; S352-N355 VanDerWaalsContact O-N 3.08Å; S352-N355 PolarHBondContact O-ND2 2.9Å; T353-N355 PolarHBondContact O-N 2.92Å
356S95.7Very high95.4Very high89 Ų8947.7 Ų47.762%0.62227%0.272SS*.G310 helixtrans-100.8-5.1-176.667.80000114.6T353 F354 I358T353-S356 PolarHBondContact O-N 3.2Å; T353-S356 PolarHBondContact O-OG 3.12Å; F354-S356 PolarHBondContact O-N 3.07Å; S356-I358 PolarHBondContact O-N 2.68Å
357L98.2Very high95Very high1 Ų148.5 Ų48.51%0.00527%0.274CS..  trans-61.7134-178.7-69.2175000111.3F307 P321 V322 R339 F342 F354F307-L357 HydrophobicContact CE1-CD1 3.76Å; F307-L357 HydrophobicContact CZ-CD1 3.77Å; F307-L357 HydrophobicContact CZ-CD2 4.28Å; P321-L357 HydrophobicContact CB-CD2 4.14Å; P321-L357 HydrophobicContact CG-CD2 4.07Å; P321-L357 VanDerWaalsContact O-CD2 3.28Å; P321-L357 WeakPolarHBondContact O-CD2 3.42Å; V322-L357 WeakPolarHBondContact O-CA 3.45Å; R339-L357 VanDerWaalsContact CZ-O 3.25Å; R339-L357 PolarHBondContact NH1-O 2.9Å; R339-L357 PolarHBondContact NH2-O 2.94Å; F342-L357 HydrophobicContact CD1-CD1 4.23Å; F342-L357 HydrophobicContact CD2-CB 3.72Å; F342-L357 HydrophobicContact CD2-CD1 3.98Å; F342-L357 HydrophobicContact CD2-CG 4.5Å; F342-L357 HydrophobicContact CE1-CD1 4.18Å; F342-L357 HydrophobicContact CE2-CB 3.52Å; F342-L357 HydrophobicContact CE2-CD1 3.91Å; F342-L357 HydrophobicContact CE2-CG 4.39Å; F342-L357 HydrophobicContact CG-CD1 4.15Å; F342-L357 HydrophobicContact CZ-CB 4.3Å; F342-L357 HydrophobicContact CZ-CD1 4Å; F354-L357 HydrophobicContact CB-CD1 4.26Å; F354-L357 HydrophobicContact CD1-CD1 3.64Å; F354-L357 HydrophobicContact CD2-CD1 4.42Å; F354-L357 HydrophobicContact CE1-CD1 4.04Å; F354-L357 HydrophobicContact CG-CD1 3.87Å; F354-L357 PolarHBondContact O-N 2.86Å
358I97.8Very high94.5Very high30 Ų3047.9 Ų47.915%0.15427%0.271CS..EExtended strand (participates in β ladder)trans-87.4151.1-179.870.8177.6000111.5L291 V322 G323 V324 S356 V360 N381 V382L291-I358 HydrophobicContact CD1-CD1 3.76Å; L291-I358 HydrophobicContact CD1-CG1 3.78Å; V322-I358 HydrophobicContact CG1-CD1 3.87Å; V322-I358 HydrophobicContact CG1-CG1 4.09Å; V322-I358 PolarHBondContact O-N 3.31Å; G323-I358 CarbonylContact C-O 3.6Å; G323-I358 WeakPolarHBondContact CA-O 3.39Å; V324-I358 PolarHBondContact N-O 3.03Å; S356-I358 PolarHBondContact O-N 2.68Å; I358-V360 HydrophobicContact CD1-CG2 4.17Å; I358-V360 HydrophobicContact CG1-CG2 4.34Å; I358-N381 VanDerWaalsContact CA-OD1 3.29Å; I358-N381 WeakPolarHBondContact CA-OD1 3.49Å; I358-N381 HydrophobicContact CB-CB 4.15Å; I358-N381 HydrophobicContact CG2-CB 4.42Å; I358-V382 HydrophobicContact CD1-CG2 4.03Å
359I98.3Very high94.1Very high0 Ų043.1 Ų43.10%025%0.252CS..EExtended strand (participates in β ladder)trans-112.7120.1170.2-58.8173.5000107.6V324 L326 S335 V338 R339 F342 E379 I380 N381 V382V324-I359 HydrophobicContact CG2-CG1 4.32Å; L326-I359 HydrophobicContact CD1-CG2 4.11Å; S335-I359 WeakPolarHBondContact O-CD1 3.49Å; V338-I359 HydrophobicContact CB-CD1 3.98Å; V338-I359 HydrophobicContact CG1-CD1 3.59Å; V338-I359 HydrophobicContact CG1-CG1 3.89Å; R339-I359 HydrophobicContact CB-CD1 4.18Å; F342-I359 HydrophobicContact CE2-CG1 4.27Å; I359-E379 HydrophobicContact CD1-CB 4.06Å; I359-I380 HydrophobicContact CG2-CG1 4.43Å; I359-N381 PolarHBondContact N-OD1 3.08Å; I359-N381 PolarHBondContact O-N 3.33Å; I359-V382 PolarHBondContact O-N 3.1Å
360V98.1Very high93.9Very high5 Ų541.1 Ų41.13%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-99.7120175.6-172.50000108.6L291 V324 R325 L326 I358 T362 V382L291-V360 HydrophobicContact CD1-CG2 3.99Å; L291-V360 HydrophobicContact CD2-CG2 4.09Å; V324-V360 PolarHBondContact O-N 3.35Å; R325-V360 CarbonylContact C-O 3.6Å; R325-V360 WeakPolarHBondContact CA-O 3.44Å; R325-V360 HydrophobicContact CB-CB 4.25Å; R325-V360 HydrophobicContact CG-CB 4.18Å; R325-V360 HydrophobicContact CG-CG1 4.23Å; L326-V360 PolarHBondContact N-O 2.85Å; I358-V360 HydrophobicContact CD1-CG2 4.17Å; I358-V360 HydrophobicContact CG1-CG2 4.34Å; V360-T362 HydrophobicContact CG1-CG2 4.11Å; V360-V382 CarbonylContact C-O 3.58Å; V360-V382 WeakPolarHBondContact CA-O 3.49Å; V360-V382 HydrophobicContact CB-CB 4.45Å; V360-V382 HydrophobicContact CG1-CB 4.22Å; V360-V382 HydrophobicContact CG1-CG1 4.37Å; V360-V382 HydrophobicContact CG2-CB 4.08Å; V360-V382 HydrophobicContact CG2-CG2 4.36Å
361G96.8Very high93.5Very high1 Ų137.9 Ų37.91%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-99.9119.317300000110.6V382 I383 G384G361-V382 PolarHBondContact N-O 2.83Å; G361-I383 WeakPolarHBondContact O-CA 3.4Å; G361-G384 PolarHBondContact O-N 2.99Å
362T91.9Very high93.1Very high13 Ų1341.9 Ų41.98%0.0824%0.24CC..  trans-123.9147.9168.460.90000107.4R325 L326 D327 V360R325-T362 HydrophobicContact CG-CG2 4.27Å; L326-T362 PolarHBondContact O-N 2.67Å; L326-T362 PolarHBondContact O-OG1 3.37Å; D327-T362 CarbonylContact C-O 3.59Å; D327-T362 WeakPolarHBondContact CA-O 3.4Å; D327-T362 VanDerWaalsContact CG-OG1 3.29Å; D327-T362 VanDerWaalsContact OD1-CB 3.25Å; D327-T362 WeakPolarHBondContact OD1-CB 3.48Å; D327-T362 PolarHBondContact OD1-OG1 2.87Å; V360-T362 HydrophobicContact CG1-CG2 4.11Å
363N87.9Confident93Very high73 Ų7338.1 Ų38.139%0.3921%0.213SC..SBendtrans154.999.5165.3-176.513.1000108.8D327 L331 I365D327-N363 VanDerWaalsContact O-CB 3.26Å; D327-N363 WeakPolarHBondContact O-CB 3.06Å; L331-N363 HydrophobicContact CD1-CB 4.27Å; N363-I365 WeakPolarHBondContact O-CD1 3.11Å; N363-I365 PolarHBondContact O-N 2.73Å
364N87.6Confident92.8Very high108 Ų10840.2 Ų40.258%0.57822%0.223SC*.SBendtrans41.441.1173.9-159.454000115S366 H388N364-S366 PolarHBondContact O-N 3.21Å; N364-S366 VanDerWaalsContact O-N 3.1Å; N364-H388 PolarHBondContact ND2-NE2 2.76Å; N364-H388 PolarHBondContact O-CD2 2.9Å; N364-H388 PolarHBondContact OD1-NE2 3.17Å; N364-H388 VanDerWaalsContact OD1-NE2 3.11Å
365I93Very high92.6Very high6 Ų648.9 Ų48.93%0.03126%0.261CS..  trans-66.6113.9-173.3-58.2-63.4000109.2F162 L331 N363 S369 M370 L373 I383 V385 H388F162-I365 HydrophobicContact CE1-CG2 4.35Å; L331-I365 HydrophobicContact CD1-CD1 3.96Å; N363-I365 WeakPolarHBondContact O-CD1 3.11Å; N363-I365 PolarHBondContact O-N 2.73Å; I365-S369 WeakPolarHBondContact CA-OG 2.99Å; I365-M370 HydrophobicContact CG2-CE 4.11Å; I365-M370 HydrophobicContact CG2-CG 3.77Å; I365-M370 HydrophobicContact CG2-SD 3.92Å; I365-L373 HydrophobicContact CD1-CD1 4.29Å; I365-I383 HydrophobicContact CB-CG2 4.47Å; I365-I383 HydrophobicContact CG1-CG2 4.05Å; I365-I383 HydrophobicContact CG2-CG2 3.91Å; I365-V385 HydrophobicContact CB-CG1 4.35Å; I365-V385 HydrophobicContact CB-CG2 4.14Å; I365-V385 HydrophobicContact CG2-CG2 3.89Å; I365-V385 WeakPolarHBondContact O-CG1 3.35Å; I365-H388 WeakPolarHBondContact O-CB 3.13Å; I365-H388 PolarHBondContact O-CD2 2.98Å
366S93.3Very high92.5Very high14 Ų1449.2 Ų49.210%0.09826%0.257CS..  trans-102.3171.3169.8800000111.3N364 E368 S369 M370N364-S366 PolarHBondContact O-N 3.21Å; N364-S366 VanDerWaalsContact O-N 3.1Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 WeakPolarHBondContact CB-OE2 3.44Å; S366-E368 PolarHBondContact O-N 2.87Å; S366-E368 PolarHBondContact OG-N 2.94Å; S366-E368 PolarHBondContact OG-OE2 3.47Å; S366-S369 PolarHBondContact N-OG 2.64Å; S366-S369 PolarHBondContact O-N 2.96Å; S366-S369 PolarHBondContact O-OG 2.89Å; S366-S369 PolarHBondContact OG-N 3.37Å; S366-M370 WeakPolarHBondContact O-CG 3.3Å; S366-M370 PolarHBondContact O-N 3.36Å
367E88.2Confident92.5Very high27 Ų2752.2 Ų52.213%0.12626%0.262CS..Hα-helixtrans-59.7-35.4170.8-68.3-172.3-124.800112.5R161 F162 M370 A371R161-E367 IonicContact CZ-OE1 3.4Å; R161-E367 IonicContact CZ-OE2 3.85Å; R161-E367 VanDerWaalsContact NE-CD 3.34Å; R161-E367 IonicContact NE-OE1 3.95Å; R161-E367 PolarHBondContact NE-OE1 3.15Å; R161-E367 IonicContact NE-OE2 3.5Å; R161-E367 PolarHBondContact NE-OE2 3.36Å; R161-E367 VanDerWaalsContact NE-OE2 3.07Å; R161-E367 IonicContact NH2-OE1 3.64Å; R161-E367 IonicContact NH2-OE2 3.95Å; R161-E367 PolarHBondContact NH2-OE2 2.88Å; F162-E367 HydrophobicContact CD2-CG 4.43Å; F162-E367 HydrophobicContact CE1-CG 4.26Å; F162-E367 HydrophobicContact CE2-CG 4.12Å; F162-E367 HydrophobicContact CZ-CG 4.03Å; E367-M370 WeakPolarHBondContact O-CB 3.47Å; E367-M370 PolarHBondContact O-N 2.93Å; E367-A371 PolarHBondContact O-N 3.49Å; E367-A371 VanDerWaalsContact O-N 3.11Å
368E86.9Confident92.4Very high125 Ų12553.3 Ų53.358%0.58427%0.268SS*.Hα-helixtrans-65.2-46.7175.4-58.196.6-169.700111S366 M370 A371 E372S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 WeakPolarHBondContact CB-OE2 3.44Å; S366-E368 PolarHBondContact O-N 2.87Å; S366-E368 PolarHBondContact OG-N 2.94Å; S366-E368 PolarHBondContact OG-OE2 3.47Å; E368-M370 VanDerWaalsContact C-N 3.25Å; E368-M370 PolarHBondContact O-N 3.47Å; E368-A371 WeakPolarHBondContact O-CB 3.47Å; E368-A371 PolarHBondContact O-N 3.08Å; E368-E372 PolarHBondContact O-N 3.1Å
369S90.3Very high92.4Very high25 Ų2554.1 Ų54.118%0.17527%0.271CS..Hα-helixtrans-62.3-34.1177.772.80000112.1I365 S366 A371 E372 L373I365-S369 WeakPolarHBondContact CA-OG 2.99Å; S366-S369 PolarHBondContact N-OG 2.64Å; S366-S369 PolarHBondContact O-N 2.96Å; S366-S369 PolarHBondContact O-OG 2.89Å; S366-S369 PolarHBondContact OG-N 3.37Å; S369-A371 PolarHBondContact O-N 2.94Å; S369-E372 WeakPolarHBondContact O-CB 3.39Å; S369-E372 PolarHBondContact O-N 3.34Å; S369-L373 VanDerWaalsContact O-CG 3.31Å; S369-L373 WeakPolarHBondContact O-CG 3.3Å; S369-L373 PolarHBondContact O-N 3.16Å
370M91.8Very high92.3Very high0 Ų054.5 Ų54.50%027%0.273CS..Hα-helixtrans-62.7-41.3172.6-76.9-67.4-143.200112F162 A165 A166 L172 I365 S366 E367 E368 E372 L373 N374 I383 V385F162-M370 HydrophobicContact CD1-CE 4Å; F162-M370 HydrophobicContact CD1-CG 3.95Å; F162-M370 HydrophobicContact CE1-CG 4.11Å; A165-M370 HydrophobicContact CB-CB 3.99Å; A166-M370 HydrophobicContact CB-CE 4.01Å; L172-M370 HydrophobicContact CD2-CE 3.61Å; I365-M370 HydrophobicContact CG2-CE 4.11Å; I365-M370 HydrophobicContact CG2-CG 3.77Å; I365-M370 HydrophobicContact CG2-SD 3.92Å; S366-M370 WeakPolarHBondContact O-CG 3.3Å; S366-M370 PolarHBondContact O-N 3.36Å; E367-M370 WeakPolarHBondContact O-CB 3.47Å; E367-M370 PolarHBondContact O-N 2.93Å; E368-M370 VanDerWaalsContact C-N 3.25Å; E368-M370 PolarHBondContact O-N 3.47Å; M370-E372 VanDerWaalsContact C-N 3.29Å; M370-E372 PolarHBondContact O-N 3.17Å; M370-L373 PolarHBondContact O-N 3.31Å; M370-L373 HydrophobicContact SD-CD1 4.08Å; M370-N374 PolarHBondContact O-N 2.87Å; M370-N374 PolarHBondContact O-ND2 2.71Å; M370-I383 HydrophobicContact CE-CB 4.01Å; M370-I383 HydrophobicContact CE-CD1 3.78Å; M370-I383 HydrophobicContact CE-CG2 3.56Å; M370-I383 HydrophobicContact SD-CD1 3.49Å; M370-I383 WeakPolarHBondContact SD-CD1 3.42Å; M370-I383 HydrophobicContact SD-CG2 3.99Å; M370-V385 HydrophobicContact CE-CG2 4.14Å
371A88.3Confident92.3Very high42 Ų4257.1 Ų57.135%0.34729%0.286SS..Hα-helixtrans-63.6-36.7175.200000111.7E367 E368 S369 N374 K375E367-A371 PolarHBondContact O-N 3.49Å; E367-A371 VanDerWaalsContact O-N 3.11Å; E368-A371 WeakPolarHBondContact O-CB 3.47Å; E368-A371 PolarHBondContact O-N 3.08Å; S369-A371 PolarHBondContact O-N 2.94Å; A371-N374 PolarHBondContact O-N 2.96Å; A371-K375 WeakPolarHBondContact O-CG 3.36Å; A371-K375 PolarHBondContact O-N 3.45Å
372E88.8Confident92.3Very high111 Ų11157.2 Ų57.252%0.51929%0.287SS..Hα-helixtrans-66.3-45.6172.8-63.7-169.7143.300112.3E368 S369 M370 N374 K375 K376E368-E372 PolarHBondContact O-N 3.1Å; S369-E372 WeakPolarHBondContact O-CB 3.39Å; S369-E372 PolarHBondContact O-N 3.34Å; M370-E372 VanDerWaalsContact C-N 3.29Å; M370-E372 PolarHBondContact O-N 3.17Å; E372-N374 PolarHBondContact O-N 3.43Å; E372-K375 PolarHBondContact O-N 2.91Å; E372-K376 PolarHBondContact O-N 3.47Å
373L92.4Very high92.6Very high11 Ų1156.6 Ų56.66%0.05828%0.283CS..Hα-helixtrans-57.8-28.7174.6-71.2179.2000112.1C332 I365 S369 M370 N378 I380 I383C332-L373 WeakPolarHBondContact SG-CD2 3.43Å; I365-L373 HydrophobicContact CD1-CD1 4.29Å; S369-L373 VanDerWaalsContact O-CG 3.31Å; S369-L373 WeakPolarHBondContact O-CG 3.3Å; S369-L373 PolarHBondContact O-N 3.16Å; M370-L373 PolarHBondContact O-N 3.31Å; M370-L373 HydrophobicContact SD-CD1 4.08Å; L373-N378 PolarHBondContact O-ND2 3.41Å; L373-I380 HydrophobicContact CD2-CD1 3.94Å; L373-I383 HydrophobicContact CD1-CD1 3.88Å
374N91.3Very high93Very high70 Ų7053.3 Ų53.337%0.37427%0.266SS..Hα-helixtrans-81.7-26.7176-71.1-33.8000114A165 R170 M370 A371 E372A165-N374 PolarHBondContact O-ND2 2.89Å; R170-N374 PolarHBondContact NH1-OD1 3.29Å; M370-N374 PolarHBondContact O-N 2.87Å; M370-N374 PolarHBondContact O-ND2 2.71Å; A371-N374 PolarHBondContact O-N 2.96Å; E372-N374 PolarHBondContact O-N 3.43Å
375K91.9Very high93.5Very high181 Ų18148.1 Ų48.179%0.78724%0.239SC*.Hα-helixtrans-83.9-33.1-179.6-73173.9-178.3178.80112.3A371 E372A371-K375 WeakPolarHBondContact O-CG 3.36Å; A371-K375 PolarHBondContact O-N 3.45Å; E372-K375 PolarHBondContact O-N 2.91Å
376K94.4Very high93.6Very high101 Ų10148.7 Ų48.744%0.43925%0.246SC..SBendtrans-90.5143.2-179.4-66.4179.2-179.8175.30110.4C332 E372 N378C332-K376 HydrophobicContact CB-CB 4.16Å; C332-K376 HydrophobicContact CB-CD 4.32Å; E372-K376 PolarHBondContact O-N 3.47Å; K376-N378 PolarHBondContact O-N 3.14Å; K376-N378 PolarHBondContact O-ND2 3Å
377E95.3Very high93.8Very high152 Ų15250.1 Ų50.171%0.7125%0.254SS*.  trans-59.2135.6167.1-171176.5-167.200109.8I336I336-E377 HydrophobicContact CD1-CB 4.05Å; I336-E377 HydrophobicContact CD1-CG 3.94Å; I336-E377 WeakPolarHBondContact CD1-O 3.47Å
378N96.1Very high94.2Very high25 Ų2550.6 Ų50.613%0.13426%0.256CS..  trans-161.6161.5177.264.598.2000110C332 S335 L373 K376 I380C332-N378 HydrophobicContact CB-CB 4.17Å; S335-N378 WeakPolarHBondContact OG-CA 3.25Å; S335-N378 WeakPolarHBondContact OG-CB 3.09Å; L373-N378 PolarHBondContact O-ND2 3.41Å; K376-N378 PolarHBondContact O-N 3.14Å; K376-N378 PolarHBondContact O-ND2 3Å; N378-I380 HydrophobicContact CB-CD1 4.45Å; N378-I380 HydrophobicContact CB-CG1 4.36Å; N378-I380 PolarHBondContact OD1-N 2.91Å
379E97.1Very high94.7Very high47 Ų4744.6 Ų44.622%0.2223%0.228CC..  trans-116.823-176.9-71.1-83.5-168.500111.4S335 I336 R339 R343 I359 N381S335-E379 PolarHBondContact OG-N 2.89Å; I336-E379 HydrophobicContact CG1-CG 4.47Å; R339-E379 HydrophobicContact CB-CB 3.75Å; R339-E379 HydrophobicContact CB-CG 3.65Å; R339-E379 HydrophobicContact CG-CB 4.19Å; R339-E379 HydrophobicContact CG-CG 3.83Å; R339-E379 IonicContact NE-OE2 3.41Å; R343-E379 IonicContact CZ-OE1 3.46Å; R343-E379 IonicContact NH1-OE1 2.9Å; R343-E379 IonicContact NH2-OE1 3.96Å; R343-E379 PolarHBondContact NH2-OE1 2.86Å; R343-E379 IonicContact NH2-OE2 3.67Å; I359-E379 HydrophobicContact CD1-CB 4.06Å; E379-N381 PolarHBondContact O-OD1 3.46Å
380I97Very high95Very high7 Ų743.4 Ų43.44%0.03622%0.22CC..  trans-77.4123.7-177-59171.2000110.1L331 I359 L373 N378 V382 I383L331-I380 HydrophobicContact CB-CD1 4.02Å; I359-I380 HydrophobicContact CG2-CG1 4.43Å; L373-I380 HydrophobicContact CD2-CD1 3.94Å; N378-I380 HydrophobicContact CB-CD1 4.45Å; N378-I380 HydrophobicContact CB-CG1 4.36Å; N378-I380 PolarHBondContact OD1-N 2.91Å; I380-V382 VanDerWaalsContact CG2-O 3.28Å; I380-V382 WeakPolarHBondContact CG2-O 3.5Å; I380-I383 HydrophobicContact CG2-CG1 3.91Å
381N97.1Very high95.2Very high60 Ų6044.2 Ų44.232%0.32123%0.225SC..  trans-96.3-32.4-179-50.6108.6000112.7R171 R339 I358 I359 E379R171-N381 PolarHBondContact N-O 3.39Å; R171-N381 VanDerWaalsContact N-O 3.12Å; R339-N381 PolarHBondContact NH2-OD1 2.79Å; I358-N381 VanDerWaalsContact CA-OD1 3.29Å; I358-N381 WeakPolarHBondContact CA-OD1 3.49Å; I358-N381 HydrophobicContact CB-CB 4.15Å; I358-N381 HydrophobicContact CG2-CB 4.42Å; I359-N381 PolarHBondContact N-OD1 3.08Å; I359-N381 PolarHBondContact O-N 3.33Å; E379-N381 PolarHBondContact O-OD1 3.46Å
382V97.7Very high95.6Very high3 Ų342.2 Ų42.22%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-130.1132-178.1-170.20000109.3R171 L173 I358 I359 V360 G361 I380R171-V382 HydrophobicContact CB-CB 4.48Å; R171-V382 HydrophobicContact CB-CG1 4.16Å; R171-V382 HydrophobicContact CB-CG2 4.13Å; R171-V382 WeakPolarHBondContact O-CA 3.5Å; L173-V382 HydrophobicContact CB-CG1 4.01Å; L173-V382 HydrophobicContact CD2-CG1 4.42Å; I358-V382 HydrophobicContact CD1-CG2 4.03Å; I359-V382 PolarHBondContact O-N 3.1Å; V360-V382 CarbonylContact C-O 3.58Å; V360-V382 WeakPolarHBondContact CA-O 3.49Å; V360-V382 HydrophobicContact CB-CB 4.45Å; V360-V382 HydrophobicContact CG1-CB 4.22Å; V360-V382 HydrophobicContact CG1-CG1 4.37Å; V360-V382 HydrophobicContact CG2-CB 4.08Å; V360-V382 HydrophobicContact CG2-CG2 4.36Å; G361-V382 PolarHBondContact N-O 2.83Å; I380-V382 VanDerWaalsContact CG2-O 3.28Å; I380-V382 WeakPolarHBondContact CG2-O 3.5Å
383I97.5Very high95.8Very high1 Ų140.1 Ų40.11%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-112120.2176.6-56.6175000108.8R171 L172 L173 G361 I365 M370 L373 I380 V385R171-I383 PolarHBondContact O-N 2.78Å; L172-I383 HydrophobicContact CD2-CB 4.03Å; L173-I383 PolarHBondContact N-O 3.49Å; G361-I383 WeakPolarHBondContact O-CA 3.4Å; I365-I383 HydrophobicContact CB-CG2 4.47Å; I365-I383 HydrophobicContact CG1-CG2 4.05Å; I365-I383 HydrophobicContact CG2-CG2 3.91Å; M370-I383 HydrophobicContact CE-CB 4.01Å; M370-I383 HydrophobicContact CE-CD1 3.78Å; M370-I383 HydrophobicContact CE-CG2 3.56Å; M370-I383 HydrophobicContact SD-CD1 3.49Å; M370-I383 WeakPolarHBondContact SD-CD1 3.42Å; M370-I383 HydrophobicContact SD-CG2 3.99Å; L373-I383 HydrophobicContact CD1-CD1 3.88Å; I380-I383 HydrophobicContact CG2-CG1 3.91Å; I383-V385 HydrophobicContact CG2-CG2 4.1Å
384G96.9Very high95.9Very high3 Ų345.3 Ų45.33%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-93.1124.5173.500000111L173 G361L173-G384 CarbonylContact O-C 3.53Å; L173-G384 VanDerWaalsContact O-CA 3.27Å; L173-G384 WeakPolarHBondContact O-CA 3.38Å; G361-G384 PolarHBondContact O-N 2.99Å
385V97.5Very high96.1Very high0 Ų044.7 Ų44.70%022%0.22CC..EExtended strand (participates in β ladder)trans-118.3129.7-179.8-167.60000109.4F162 L173 M175 F198 I365 M370 I383 L389F162-V385 HydrophobicContact CD1-CG1 4.33Å; F162-V385 HydrophobicContact CD1-CG2 4.22Å; F162-V385 HydrophobicContact CE1-CG1 3.8Å; F162-V385 HydrophobicContact CE1-CG2 4.3Å; F162-V385 HydrophobicContact CE2-CG1 4.38Å; F162-V385 HydrophobicContact CZ-CG1 3.83Å; L173-V385 PolarHBondContact O-N 3.49Å; M175-V385 PolarHBondContact N-O 3.19Å; F198-V385 HydrophobicContact CE1-CB 3.88Å; F198-V385 HydrophobicContact CE1-CG2 3.89Å; F198-V385 HydrophobicContact CZ-CB 4Å; F198-V385 HydrophobicContact CZ-CG2 3.87Å; I365-V385 HydrophobicContact CB-CG1 4.35Å; I365-V385 HydrophobicContact CB-CG2 4.14Å; I365-V385 HydrophobicContact CG2-CG2 3.89Å; I365-V385 WeakPolarHBondContact O-CG1 3.35Å; M370-V385 HydrophobicContact CE-CG2 4.14Å; I383-V385 HydrophobicContact CG2-CG2 4.1Å; V385-L389 HydrophobicContact CB-CB 4.25Å; V385-L389 HydrophobicContact CB-CD2 4.26Å; V385-L389 HydrophobicContact CG1-CB 3.66Å
386G96Very high96.2Very high18 Ų1839.8 Ų39.819%0.18621%0.207CC..  trans-112.4-106.9-176.600000112.7H388 L389 V390G386-H388 PolarHBondContact O-N 2.79Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.83Å; G386-L389 VanDerWaalsContact O-N 3.11Å; G386-V390 PolarHBondContact O-N 3.4Å
387T96.3Very high96.2Very high44 Ų4438 Ų3827%0.2721%0.207SC..Hα-helixtrans-49.5-54-171.7-44.50000113.6R179 L389 V390 T391 T393R179-T387 HydrophobicContact CB-CG2 4.39Å; T387-L389 PolarHBondContact O-N 2.87Å; T387-L389 VanDerWaalsContact O-N 3.08Å; T387-V390 PolarHBondContact O-N 3.28Å; T387-T391 HydrophobicContact CG2-CG2 4.13Å; T387-T391 PolarHBondContact O-N 3.17Å; T387-T391 PolarHBondContact O-OG1 2.74Å; T387-T393 HydrophobicContact CG2-CG2 4.02Å
388H97Very high96.3Very high36 Ų3631 Ų3117%0.16718%0.175CC..Hα-helixtrans-58.6-26.8-176.4-69.8-65.9000114N158 F162 N364 I365 G386 T393N158-H388 PolarHBondContact ND2-O 2.91Å; F162-H388 HydrophobicContact CZ-CB 4.12Å; N364-H388 PolarHBondContact ND2-NE2 2.76Å; N364-H388 PolarHBondContact O-CD2 2.9Å; N364-H388 PolarHBondContact OD1-NE2 3.17Å; N364-H388 VanDerWaalsContact OD1-NE2 3.11Å; I365-H388 WeakPolarHBondContact O-CB 3.13Å; I365-H388 PolarHBondContact O-CD2 2.98Å; G386-H388 PolarHBondContact O-N 2.79Å; H388-T393 PolarHBondContact ND1-OG1 3.25Å
389L97.2Very high96.2Very high0 Ų031.4 Ų31.40%019%0.185CC..Hα-helixtrans-80.9-58177.9179.966.4000111.4N158 A159 F162 E174 T193 F198 V385 G386 T387 C392N158-L389 PolarHBondContact ND2-O 3.28Å; A159-L389 HydrophobicContact CB-CD1 4Å; F162-L389 HydrophobicContact CD2-CD1 3.81Å; F162-L389 HydrophobicContact CE2-CB 4.42Å; F162-L389 HydrophobicContact CE2-CD1 4.24Å; E174-L389 HydrophobicContact CB-CD2 4.08Å; E174-L389 HydrophobicContact CG-CD2 3.74Å; T193-L389 HydrophobicContact CG2-CD1 3.8Å; T193-L389 HydrophobicContact CG2-CD2 3.59Å; T193-L389 HydrophobicContact CG2-CG 3.53Å; F198-L389 HydrophobicContact CD1-CD2 3.83Å; F198-L389 HydrophobicContact CD2-CD1 4.44Å; F198-L389 HydrophobicContact CD2-CD2 4.3Å; F198-L389 HydrophobicContact CE1-CD2 3.38Å; F198-L389 HydrophobicContact CE2-CD1 3.73Å; F198-L389 HydrophobicContact CE2-CD2 3.89Å; F198-L389 HydrophobicContact CE2-CG 4.48Å; F198-L389 HydrophobicContact CG-CD2 4.28Å; F198-L389 HydrophobicContact CZ-CD1 3.85Å; F198-L389 HydrophobicContact CZ-CD2 3.42Å; F198-L389 VanDerWaalsContact CZ-CD2 3.42Å; F198-L389 HydrophobicContact CZ-CG 4.23Å; V385-L389 HydrophobicContact CB-CB 4.25Å; V385-L389 HydrophobicContact CB-CD2 4.26Å; V385-L389 HydrophobicContact CG1-CB 3.66Å; G386-L389 WeakPolarHBondContact O-CB 3.36Å; G386-L389 PolarHBondContact O-N 2.83Å; G386-L389 VanDerWaalsContact O-N 3.11Å; T387-L389 PolarHBondContact O-N 2.87Å; T387-L389 VanDerWaalsContact O-N 3.08Å; L389-C392 PolarHBondContact O-SG 3.08Å
390V96.7Very high96.2Very high0 Ų029.8 Ų29.80%018%0.178CC..Hα-helixtrans-80.8-25.3-168.9-55.90000113.5Y151 E174 G176 A180 A189 G386 T387Y151-V390 WeakPolarHBondContact CE2-O 3.46Å; Y151-V390 PolarHBondContact OH-O 2.81Å; E174-V390 HydrophobicContact CG-CG1 4.09Å; G176-V390 WeakPolarHBondContact O-CG2 3.32Å; A180-V390 HydrophobicContact CB-CB 4.35Å; A180-V390 HydrophobicContact CB-CG2 4.08Å; A189-V390 HydrophobicContact CB-CB 3.87Å; A189-V390 HydrophobicContact CB-CG1 3.8Å; G386-V390 PolarHBondContact O-N 3.4Å; T387-V390 PolarHBondContact O-N 3.28Å
391T96.3Very high96.3Very high16 Ų1630.7 Ų30.710%0.09818%0.184CC..SBendtrans-100.3-2.8176.978.50000112.4R179 Q181 T387 T393R179-T391 HydrophobicContact CB-CG2 4.45Å; R179-T391 WeakPolarHBondContact O-CG2 3.49Å; Q181-T391 HydrophobicContact CG-CG2 4.47Å; T387-T391 HydrophobicContact CG2-CG2 4.13Å; T387-T391 PolarHBondContact O-N 3.17Å; T387-T391 PolarHBondContact O-OG1 2.74Å; T391-T393 VanDerWaalsContact C-N 3.29Å; T391-T393 PolarHBondContact O-N 3.15Å; T391-T393 WeakPolarHBondContact OG1-CG2 3.34Å
392C96.3Very high96.3Very high1 Ų127.9 Ų27.91%0.00717%0.169CC..  trans46.950.3-178.6-61.90000112.2F57 L154 N158 L389 K394 Q395F57-C392 HydrophobicContact CE1-CB 3.96Å; F57-C392 HydrophobicContact CZ-CB 3.95Å; L154-C392 HydrophobicContact CD2-CB 3.68Å; L154-C392 HydrophobicContact CG-CB 4.03Å; N158-C392 PolarHBondContact ND2-SG 3.48Å; L389-C392 PolarHBondContact O-SG 3.08Å; C392-K394 PolarHBondContact O-N 3.26Å; C392-Q395 WeakPolarHBondContact CB-O 3.11Å; C392-Q395 CarbonylContact O-C 3.54Å; C392-Q395 WeakPolarHBondContact O-CA 3.12Å; C392-Q395 PolarHBondContact O-N 3.1Å; C392-Q395 VanDerWaalsContact O-O 3.08Å
393T94.5Very high96.3Very high67 Ų6730.1 Ų30.141%0.41118%0.178SC..THydrogen-bonded Turntrans-50.7-32.9-163.956.60000115.4T387 H388 T391 Q395T387-T393 HydrophobicContact CG2-CG2 4.02Å; H388-T393 PolarHBondContact ND1-OG1 3.25Å; T391-T393 VanDerWaalsContact C-N 3.29Å; T391-T393 PolarHBondContact O-N 3.15Å; T391-T393 WeakPolarHBondContact OG1-CG2 3.34Å; T393-Q395 VanDerWaalsContact C-N 3.31Å
394K92.9Very high96.4Very high119 Ų11932.6 Ų32.652%0.51719%0.191SC..THydrogen-bonded Turntrans-66.8-34.3178.6-174.5180-177.4-1740112.1F57 C392F57-K394 HydrophobicContact CB-CD 4.36Å; F57-K394 HydrophobicContact CD1-CB 4.24Å; F57-K394 PolarHBondContact O-NZ 3.47Å; C392-K394 PolarHBondContact O-N 3.26Å
395Q95.6Very high96.4Very high57 Ų5732.5 Ų32.527%0.26619%0.19SC..  trans-156.795.7-179.6-175.8-178-31.900108.9F57 L154 C392 T393 S397F57-Q395 HydrophobicContact CD1-CB 3.87Å; F57-Q395 HydrophobicContact CE1-CB 3.9Å; L154-Q395 WeakPolarHBondContact CD2-O 3.36Å; C392-Q395 WeakPolarHBondContact CB-O 3.11Å; C392-Q395 CarbonylContact O-C 3.54Å; C392-Q395 WeakPolarHBondContact O-CA 3.12Å; C392-Q395 PolarHBondContact O-N 3.1Å; C392-Q395 VanDerWaalsContact O-O 3.08Å; T393-Q395 VanDerWaalsContact C-N 3.31Å; Q395-S397 VanDerWaalsContact CG-O 3.32Å; Q395-S397 WeakPolarHBondContact CG-O 3.35Å; Q395-S397 PolarHBondContact NE2-O 3.48Å; Q395-S397 PolarHBondContact O-N 2.98Å; Q395-S397 VanDerWaalsContact O-N 3.11Å
396P95.5Very high96.4Very high79 Ų7934.3 Ų34.351%0.51320%0.199SC..SBendtrans-80.414.8-172.233.2-37.1000114L154L154-P396 VanDerWaalsContact CD2-C 3.49Å
397S94.2Very high96.5Very high63 Ų6333.6 Ų33.644%0.44119%0.191SC..  trans-151.5138.5176.4-179.40000111.3Q395 G399Q395-S397 VanDerWaalsContact CG-O 3.32Å; Q395-S397 WeakPolarHBondContact CG-O 3.35Å; Q395-S397 PolarHBondContact NE2-O 3.48Å; Q395-S397 PolarHBondContact O-N 2.98Å; Q395-S397 VanDerWaalsContact O-N 3.11Å; S397-G399 VanDerWaalsContact C-N 3.32Å; S397-G399 PolarHBondContact OG-N 3.31Å
398L96.3Very high96.5Very high5 Ų537.5 Ų37.53%0.02620%0.201CC..  trans-71.8-30173.6-178.557.9000111.8F52 P56 L154 C400F52-L398 HydrophobicContact CB-CD1 4.45Å; F52-L398 HydrophobicContact CB-CG 4Å; F52-L398 HydrophobicContact CD1-CD1 4.38Å; F52-L398 HydrophobicContact CD1-CD2 4.02Å; F52-L398 HydrophobicContact CD1-CG 4.22Å; F52-L398 HydrophobicContact CD2-CD1 4.18Å; F52-L398 HydrophobicContact CG-CD1 4.08Å; F52-L398 HydrophobicContact CG-CD2 4.35Å; F52-L398 HydrophobicContact CG-CG 4.03Å; P56-L398 HydrophobicContact CB-CD1 4.01Å; P56-L398 HydrophobicContact CG-CD1 3.69Å; L154-L398 HydrophobicContact CB-CB 4.19Å; L154-L398 HydrophobicContact CD1-CB 4.25Å; L398-C400 VanDerWaalsContact CD2-SG 3.55Å
399G95.3Very high96.3Very high34 Ų3438.3 Ų38.335%0.35122%0.219SC..  trans78.235.2-176.700000113.2N150 S397N150-G399 PolarHBondContact OD1-N 3.42Å; S397-G399 VanDerWaalsContact C-N 3.32Å; S397-G399 PolarHBondContact OG-N 3.31Å
400C97.3Very high96.2Very high12 Ų1246.1 Ų46.18%0.08125%0.249CC..EExtended strand (participates in β ladder)trans-61.4144.1167.8-650000110.5M50 F51 L146 N150 L398M50-C400 HydrophobicContact CG-CB 4.26Å; M50-C400 HydrophobicContact SD-CB 4.44Å; F51-C400 CarbonylContact O-C 2.95Å; F51-C400 VanDerWaalsContact O-CA 3.27Å; F51-C400 WeakPolarHBondContact O-CA 3.49Å; L146-C400 HydrophobicContact CD2-CB 3.74Å; L146-C400 WeakPolarHBondContact CD2-O 3.38Å; N150-C400 WeakPolarHBondContact OD1-CB 3.44Å; N150-C400 PolarHBondContact OD1-N 3Å; L398-C400 VanDerWaalsContact CD2-SG 3.55Å
401V97.6Very high96.2Very high26 Ų2648 Ų4816%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-127147.6174.9-63.60000108.9M50 F51 K403M50-V401 VanDerWaalsContact CA-O 3.24Å; M50-V401 WeakPolarHBondContact CA-O 3.39Å; F51-V401 HydrophobicContact CD1-CG2 4.09Å; F51-V401 HydrophobicContact CD2-CG2 3.96Å; F51-V401 HydrophobicContact CE1-CG2 3.77Å; F51-V401 HydrophobicContact CE2-CG2 3.64Å; F51-V401 HydrophobicContact CG-CG2 4.18Å; F51-V401 HydrophobicContact CZ-CG2 3.54Å; F51-V401 PolarHBondContact N-O 3.47Å; F51-V401 WeakPolarHBondContact O-CG2 3.38Å; F51-V401 PolarHBondContact O-N 3.46Å; V401-K403 HydrophobicContact CB-CG 4.42Å; V401-K403 HydrophobicContact CG2-CG 4.23Å
402Y98.4Very high96.2Very high1 Ų152 Ų520%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-117.1125.8176.4-173.2-95.5000108.4F48 E49 M50 V131 V138 E142 L145F48-Y402 HydrophobicContact CB-CD1 3.97Å; F48-Y402 HydrophobicContact CB-CD2 4.42Å; F48-Y402 HydrophobicContact CB-CE1 3.35Å; F48-Y402 HydrophobicContact CB-CE2 3.84Å; F48-Y402 HydrophobicContact CB-CG 4.48Å; F48-Y402 AromaticContact CD1-CD1 3.39Å; F48-Y402 HydrophobicContact CD1-CD1 3.39Å; F48-Y402 AromaticContact CD1-CE1 3.12Å; F48-Y402 HydrophobicContact CD1-CE1 3.12Å; F48-Y402 HydrophobicContact CD1-CG 4.45Å; F48-Y402 HydrophobicContact CD2-CE1 4.09Å; F48-Y402 HydrophobicContact CE1-CD1 4.11Å; F48-Y402 AromaticContact CE1-CE1 3.85Å; F48-Y402 HydrophobicContact CE1-CE1 3.85Å; F48-Y402 AromaticContact CG-CD1 3.95Å; F48-Y402 HydrophobicContact CG-CD1 3.95Å; F48-Y402 AromaticContact CG-CE1 3.26Å; F48-Y402 HydrophobicContact CG-CE1 3.26Å; F48-Y402 AromaticContact CG-CZ 3.68Å; E49-Y402 WeakPolarHBondContact O-CA 3.29Å; M50-Y402 HydrophobicContact CB-CD2 4.21Å; M50-Y402 HydrophobicContact CE-CD2 4.06Å; V131-Y402 HydrophobicContact CB-CE2 4.09Å; V131-Y402 VanDerWaalsContact CB-OH 3.26Å; V131-Y402 WeakPolarHBondContact CB-OH 3.49Å; V131-Y402 VanDerWaalsContact CG1-OH 3.3Å; V131-Y402 WeakPolarHBondContact CG1-OH 3.44Å; V131-Y402 HydrophobicContact CG2-CE2 3.67Å; V138-Y402 WeakPolarHBondContact O-CE1 3.28Å; V138-Y402 PolarHBondContact O-OH 3.02Å; E142-Y402 HydrophobicContact CB-CD1 3.61Å; E142-Y402 HydrophobicContact CB-CE1 3.88Å; E142-Y402 HydrophobicContact CB-CG 4.17Å; E142-Y402 HydrophobicContact CG-CD1 3.64Å; E142-Y402 HydrophobicContact CG-CE1 4.42Å; E142-Y402 HydrophobicContact CG-CG 3.92Å; L145-Y402 HydrophobicContact CD1-CE2 4.35Å
403K98.1Very high96Very high50 Ų5053.7 Ų53.722%0.21728%0.282CS..EExtended strand (participates in β ladder)trans-141.9132.8-166.7-64.3-70.6155.3-106.50112F48 E49 F51 V401 V405 T423F48-K403 CarbonylContact C-O 3.48Å; F48-K403 VanDerWaalsContact CA-O 3.23Å; F48-K403 WeakPolarHBondContact CA-O 3.46Å; F48-K403 VanDerWaalsContact CD1-C 3.43Å; E49-K403 PolarHBondContact N-O 3.31Å; E49-K403 PolarHBondContact O-N 3.47Å; F51-K403 HydrophobicContact CE1-CB 4.47Å; F51-K403 HydrophobicContact CE1-CG 4.26Å; V401-K403 HydrophobicContact CB-CG 4.42Å; V401-K403 HydrophobicContact CG2-CG 4.23Å; K403-V405 PolarHBondContact O-N 3.45Å; K403-T423 HydrophobicContact CB-CG2 4.08Å; K403-T423 HydrophobicContact CD-CG2 4.07Å; K403-T423 HydrophobicContact CG-CG2 3.78Å
404L98.1Very high95.8Very high53 Ų5355.4 Ų55.428%0.27728%0.284SS..EExtended strand (participates in β ladder)trans-63.8122.7171.8-177.872.4000109.5A46 F48 E406 V407 R412A46-L404 HydrophobicContact CB-CD1 3.99Å; F48-L404 HydrophobicContact CD1-CB 4Å; F48-L404 HydrophobicContact CD2-CD1 3.96Å; F48-L404 HydrophobicContact CE1-CB 3.67Å; F48-L404 HydrophobicContact CE1-CD1 4.27Å; F48-L404 HydrophobicContact CE2-CB 4.47Å; F48-L404 HydrophobicContact CE2-CD1 3.52Å; F48-L404 HydrophobicContact CG-CD1 4.48Å; F48-L404 HydrophobicContact CZ-CB 3.93Å; F48-L404 HydrophobicContact CZ-CD1 3.71Å; F48-L404 HydrophobicContact CZ-CG 4.37Å; L404-E406 VanDerWaalsContact CD1-O 3.25Å; L404-E406 WeakPolarHBondContact CD1-O 3.42Å; L404-V407 HydrophobicContact CD1-CB 4.39Å; L404-V407 HydrophobicContact CD2-CB 4.45Å; L404-R412 HydrophobicContact CD2-CB 4.43Å; L404-R412 HydrophobicContact CD2-CG 4.12Å; L404-R412 HydrophobicContact CG-CB 4.38Å; L404-R412 HydrophobicContact CG-CG 4.4Å
405V97.8Very high95.6Very high1 Ų153.4 Ų53.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-115-16.9178.7-62.90000112.7V47 E49 K403 P411 R412 G426V47-V405 HydrophobicContact CB-CG2 4.12Å; V47-V405 HydrophobicContact CG1-CG2 3.87Å; V47-V405 WeakPolarHBondContact O-CG2 3.24Å; V47-V405 PolarHBondContact O-N 3.2Å; E49-V405 HydrophobicContact CB-CG1 4.14Å; E49-V405 HydrophobicContact CG-CG1 4.26Å; E49-V405 HydrophobicContact CG-CG2 3.94Å; K403-V405 PolarHBondContact O-N 3.45Å; V405-P411 CarbonylContact O-C 3.44Å; V405-P411 WeakPolarHBondContact O-CA 3.41Å; V405-R412 PolarHBondContact O-N 3.2Å; V405-G426 WeakPolarHBondContact O-CA 3.33Å; V405-G426 PolarHBondContact O-N 3.04Å; V405-G426 VanDerWaalsContact O-N 3.14Å
406E97.8Very high95.1Very high38 Ų3852 Ų5218%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-155.4142177.7-164.4176.6102.300111.3A46 V47 L404 R410A46-E406 WeakPolarHBondContact CA-O 3.45Å; V47-E406 HydrophobicContact CB-CB 3.97Å; V47-E406 HydrophobicContact CG2-CB 4.15Å; V47-E406 PolarHBondContact N-O 2.88Å; V47-E406 PolarHBondContact O-N 3.26Å; L404-E406 VanDerWaalsContact CD1-O 3.25Å; L404-E406 WeakPolarHBondContact CD1-O 3.42Å; E406-R410 WeakPolarHBondContact CA-O 3.48Å
407V97.4Very high94.5Very high3 Ų358 Ų582%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-143.8133.8169.465.60000109.4E44 P45 A46 L404 G409 R410 R412E44-V407 HydrophobicContact CB-CG2 4.27Å; E44-V407 WeakPolarHBondContact OE2-CG2 3.49Å; P45-V407 WeakPolarHBondContact O-CA 3.37Å; A46-V407 HydrophobicContact CB-CG2 4.44Å; L404-V407 HydrophobicContact CD1-CB 4.39Å; L404-V407 HydrophobicContact CD2-CB 4.45Å; V407-G409 PolarHBondContact O-N 3.05Å; V407-R410 PolarHBondContact N-O 2.76Å; V407-R410 WeakPolarHBondContact O-CB 3.2Å; V407-R410 PolarHBondContact O-N 3.15Å; V407-R412 HydrophobicContact CG1-CG 3.91Å
408R95.9Very high94Very high126 Ų12657.6 Ų57.648%0.47529%0.289SS..THydrogen-bonded Turntrans53.439.7-174.7-65.5177.6-90.4169-9.3112.7E44 P45 R410E44-R408 HydrophobicContact CB-CG 4.1Å; E44-R408 HydrophobicContact CG-CG 3.98Å; E44-R408 IonicContact OE1-CZ 3.56Å; E44-R408 VanDerWaalsContact OE1-CZ 3.27Å; E44-R408 IonicContact OE1-NE 3.99Å; E44-R408 PolarHBondContact OE1-NE 3.03Å; E44-R408 IonicContact OE1-NH1 2.9Å; E44-R408 IonicContact OE1-NH2 2.89Å; E44-R408 PolarHBondContact OE1-NH2 2.93Å; E44-R408 IonicContact OE2-CZ 3.98Å; E44-R408 IonicContact OE2-NE 3.69Å; E44-R408 PolarHBondContact OE2-NE 2.8Å; E44-R408 IonicContact OE2-NH2 2.72Å; E44-R408 PolarHBondContact OE2-NH2 3.36Å; P45-R408 PolarHBondContact O-N 3.11Å; R408-R410 PolarHBondContact O-N 3.49Å; R408-R410 VanDerWaalsContact O-N 3.13Å
409G93.7Very high93.3Very high54 Ų5462.2 Ų62.256%0.55732%0.319SS*.THydrogen-bonded Turntrans66.98.1-176.700000114.8V407V407-G409 PolarHBondContact O-N 3.05Å
410R95.5Very high92.6Very high164 Ų16466.7 Ų66.762%0.61933%0.331SS*.EExtended strand (participates in β ladder)trans-103121.9178.8-63.7-174-178.3-174.40.8110.3E406 V407 R408E406-R410 WeakPolarHBondContact CA-O 3.48Å; V407-R410 PolarHBondContact N-O 2.76Å; V407-R410 WeakPolarHBondContact O-CB 3.2Å; V407-R410 PolarHBondContact O-N 3.15Å; R408-R410 PolarHBondContact O-N 3.49Å; R408-R410 VanDerWaalsContact O-N 3.13Å
411P96.3Very high92Very high40 Ų4070.7 Ų70.726%0.2635%0.347SS..EExtended strand (participates in β ladder)trans-56142.5175.9-28.136.2000112.7V405 L536 L540V405-P411 CarbonylContact O-C 3.44Å; V405-P411 WeakPolarHBondContact O-CA 3.41Å; P411-L536 HydrophobicContact CB-CD1 4.38Å; P411-L536 HydrophobicContact CB-CD2 4.1Å; P411-L536 HydrophobicContact CG-CD1 4.29Å; P411-L536 HydrophobicContact CG-CD2 4.1Å; P411-L540 HydrophobicContact CB-CD1 4.23Å
412R95.5Very high91.6Very high99 Ų9970.5 Ų70.537%0.37435%0.347SS..  trans-125.5145.4176.4-63.4-59.7179.3-154.73.7110.4L404 V405 V407 A425L404-R412 HydrophobicContact CD2-CB 4.43Å; L404-R412 HydrophobicContact CD2-CG 4.12Å; L404-R412 HydrophobicContact CG-CB 4.38Å; L404-R412 HydrophobicContact CG-CG 4.4Å; V405-R412 PolarHBondContact O-N 3.2Å; V407-R412 HydrophobicContact CG1-CG 3.91Å; R412-A425 WeakPolarHBondContact O-CA 3.35Å
413M92.4Very high91.3Very high36 Ų3670.6 Ų70.618%0.17735%0.348CS..  trans-138.3128.3178.9-177.5161.5174.600108.8I415 T423 A425 V537 L540 Q541M413-I415 HydrophobicContact CE-CG1 4.46Å; M413-I415 HydrophobicContact CG-CG1 4.27Å; M413-T423 VanDerWaalsContact CE-O 3.29Å; M413-T423 WeakPolarHBondContact CE-O 3.16Å; M413-T423 VanDerWaalsContact CG-O 3.3Å; M413-T423 WeakPolarHBondContact CG-O 3.42Å; M413-A425 HydrophobicContact CB-CB 3.93Å; M413-A425 HydrophobicContact SD-CB 4.4Å; M413-V537 HydrophobicContact CE-CG1 4.08Å; M413-V537 HydrophobicContact SD-CG1 4.22Å; M413-L540 HydrophobicContact CB-CD1 4.3Å; M413-L540 HydrophobicContact SD-CB 4.41Å; M413-Q541 HydrophobicContact CE-CG 3.73Å; M413-Q541 HydrophobicContact SD-CG 4.17Å
414K90.6Very high91Very high104 Ų10469.4 Ų69.445%0.45234%0.344SS..  trans-83.4116.1164.4-172.4-155.3175.4-170.90108.2S422 T423K414-S422 WeakPolarHBondContact O-CA 3.49Å; K414-T423 HydrophobicContact CB-CG2 4.03Å; K414-T423 PolarHBondContact N-OG1 2.68Å; K414-T423 PolarHBondContact O-N 2.62Å; K414-T423 VanDerWaalsContact O-N 3.11Å
415I87.8Confident90.8Very high77 Ų7766.9 Ų66.940%0.39533%0.331SS..  trans-90.5143167.6-60.1169.9000108M413 S544M413-I415 HydrophobicContact CE-CG1 4.46Å; M413-I415 HydrophobicContact CG-CG1 4.27Å; I415-S544 WeakPolarHBondContact CD1-OG 3.33Å
416S85.4Confident90.6Very high28 Ų2866.8 Ų66.820%0.19633%0.331CS..  trans-136.7143.2-175.4173.90000109.6D418 K421 S422S416-D418 VanDerWaalsContact CB-O 3.23Å; S416-D418 WeakPolarHBondContact CB-O 3.42Å; S416-D418 CarbonylContact O-C 3.57Å; S416-D418 PolarHBondContact O-N 3.03Å; S416-D418 PolarHBondContact OG-N 3.49Å; S416-D418 PolarHBondContact OG-O 3.21Å; S416-K421 WeakPolarHBondContact OG-CB 3.16Å; S416-S422 PolarHBondContact N-OG 2.87Å
417E83.4Confident90.4Very high203 Ų20366.6 Ų66.695%0.94933%0.328SS*.SBendtrans-58.8-32.2173.5-65-179.8159.100111.9P419E417-P419 VanDerWaalsContact O-CD 3.26Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å
418D83Confident90.4Very high56 Ų5666.7 Ų66.730%0.29933%0.328SS..SBendtrans-82.7106.7162.4176.5-9.8000108.8S416 Q420 K421S416-D418 VanDerWaalsContact CB-O 3.23Å; S416-D418 WeakPolarHBondContact CB-O 3.42Å; S416-D418 CarbonylContact O-C 3.57Å; S416-D418 PolarHBondContact O-N 3.03Å; S416-D418 PolarHBondContact OG-N 3.49Å; S416-D418 PolarHBondContact OG-O 3.21Å; D418-Q420 PolarHBondContact O-N 3.44Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.42Å; D418-Q420 PolarHBondContact OD1-N 3.24Å; D418-Q420 VanDerWaalsContact OD1-N 3.09Å; D418-K421 HydrophobicContact CB-CB 4.25Å; D418-K421 HydrophobicContact CB-CD 4.06Å; D418-K421 HydrophobicContact CB-CG 4.29Å; D418-K421 WeakPolarHBondContact O-CB 3.27Å; D418-K421 PolarHBondContact O-N 3.44Å; D418-K421 WeakPolarHBondContact OD2-CD 3.49Å; D418-K421 WeakPolarHBondContact OD2-CE 3.47Å; D418-K421 WeakPolarHBondContact OD2-CG 3.4Å; D418-K421 IonicContact OD2-NZ 3.8Å; D418-K421 PolarHBondContact OD2-NZ 3.21Å; D418-K421 VanDerWaalsContact OD2-NZ 3.12Å
419P81.7Confident90.4Very high102 Ų10261.3 Ų61.366%0.66231%0.309SS*.G310 helixtrans-62.1-29.7-174.5-23.535.9000112.6E417 K421 S422E417-P419 VanDerWaalsContact O-CD 3.26Å; E417-P419 WeakPolarHBondContact O-CD 3.49Å; P419-K421 PolarHBondContact O-N 3.25Å; P419-S422 WeakPolarHBondContact O-CB 3.23Å; P419-S422 PolarHBondContact O-N 3.14Å; P419-S422 VanDerWaalsContact O-N 3.16Å; P419-S422 PolarHBondContact O-OG 2.93Å
420Q81.5Confident90.6Very high128 Ų12858.7 Ų58.760%0.59828%0.283SS*.G310 helixtrans-67.4-18.2177.6-60.4-173.6-2.600112R53 R125 D418R53-Q420 PolarHBondContact NH1-O 3.39Å; R125-Q420 PolarHBondContact NH1-O 3.3Å; R125-Q420 PolarHBondContact NH2-O 3.05Å; R125-Q420 VanDerWaalsContact NH2-O 3.08Å; D418-Q420 PolarHBondContact O-N 3.44Å; D418-Q420 WeakPolarHBondContact OD1-CB 3.42Å; D418-Q420 PolarHBondContact OD1-N 3.24Å; D418-Q420 VanDerWaalsContact OD1-N 3.09Å
421K85.1Confident90.8Very high96 Ų9651.8 Ų51.842%0.41726%0.257SS..G310 helixtrans-90.3-8.4177.2-74.8177.5-171.4151.20114.7R53 S416 D418 P419R53-K421 VanDerWaalsContact NH1-CA 3.31Å; R53-K421 PolarHBondContact NH1-O 3.23Å; R53-K421 PolarHBondContact NH2-O 3.25Å; S416-K421 WeakPolarHBondContact OG-CB 3.16Å; D418-K421 HydrophobicContact CB-CB 4.25Å; D418-K421 HydrophobicContact CB-CD 4.06Å; D418-K421 HydrophobicContact CB-CG 4.29Å; D418-K421 WeakPolarHBondContact O-CB 3.27Å; D418-K421 PolarHBondContact O-N 3.44Å; D418-K421 WeakPolarHBondContact OD2-CD 3.49Å; D418-K421 WeakPolarHBondContact OD2-CE 3.47Å; D418-K421 WeakPolarHBondContact OD2-CG 3.4Å; D418-K421 IonicContact OD2-NZ 3.8Å; D418-K421 PolarHBondContact OD2-NZ 3.21Å; D418-K421 VanDerWaalsContact OD2-NZ 3.12Å; P419-K421 PolarHBondContact O-N 3.25Å
422S87.8Confident90.9Very high21 Ų2150.4 Ų50.415%0.14725%0.247CC..PPolyproline II helixtrans-63.2146.3173.8-63.30000111.4K414 S416 P419K414-S422 WeakPolarHBondContact O-CA 3.49Å; S416-S422 PolarHBondContact N-OG 2.87Å; P419-S422 WeakPolarHBondContact O-CB 3.23Å; P419-S422 PolarHBondContact O-N 3.14Å; P419-S422 VanDerWaalsContact O-N 3.16Å; P419-S422 PolarHBondContact O-OG 2.93Å
423T91.9Very high91Very high4 Ų445.7 Ų45.73%0.02523%0.229CC..PPolyproline II helixtrans-101.1152.1-177.159.30000111.3F51 K403 M413 K414F51-T423 HydrophobicContact CZ-CG2 4.27Å; K403-T423 HydrophobicContact CB-CG2 4.08Å; K403-T423 HydrophobicContact CD-CG2 4.07Å; K403-T423 HydrophobicContact CG-CG2 3.78Å; M413-T423 VanDerWaalsContact CE-O 3.29Å; M413-T423 WeakPolarHBondContact CE-O 3.16Å; M413-T423 VanDerWaalsContact CG-O 3.3Å; M413-T423 WeakPolarHBondContact CG-O 3.42Å; K414-T423 HydrophobicContact CB-CG2 4.03Å; K414-T423 PolarHBondContact N-OG1 2.68Å; K414-T423 PolarHBondContact O-N 2.62Å; K414-T423 VanDerWaalsContact O-N 3.11Å
424V92.7Very high91.3Very high24 Ų2444.6 Ų44.615%0.14522%0.224CC..PPolyproline II helixtrans-81.4123.3171.7-175.90000109.5K428 L464 L529 L533 V537V424-K428 HydrophobicContact CB-CD 4.28Å; V424-K428 HydrophobicContact CG1-CD 3.74Å; V424-K428 PolarHBondContact O-NZ 2.86Å; V424-L464 HydrophobicContact CG2-CD1 4.09Å; V424-L529 HydrophobicContact CG1-CD2 4.14Å; V424-L529 HydrophobicContact CG2-CD2 4.4Å; V424-L533 HydrophobicContact CG1-CD1 3.95Å; V424-L533 HydrophobicContact CG1-CD2 4.02Å; V424-L533 HydrophobicContact CG1-CG 4.07Å; V424-V537 HydrophobicContact CG1-CG2 3.88Å
425A93.2Very high91.6Very high0 Ų041.8 Ų41.80%021%0.213CC..PPolyproline II helixtrans-68.4161.7-17500000113.9R412 M413 L536 L540R412-A425 WeakPolarHBondContact O-CA 3.35Å; M413-A425 HydrophobicContact CB-CB 3.93Å; M413-A425 HydrophobicContact SD-CB 4.4Å; A425-L536 HydrophobicContact CB-CD2 4.34Å; A425-L540 HydrophobicContact CB-CD1 3.34Å
426G93.6Very high92Very high0 Ų042.3 Ų42.30%023%0.229CC..SBendtrans73.8166.8167.100000114.6V405 K428V405-G426 WeakPolarHBondContact O-CA 3.33Å; V405-G426 PolarHBondContact O-N 3.04Å; V405-G426 VanDerWaalsContact O-N 3.14Å; G426-K428 PolarHBondContact O-NZ 3.43Å
427R95Very high92.5Very high34 Ų3447.5 Ų47.513%0.12826%0.255CS..  trans-76.1127.1178-167.4176.5-174.1178.8-4.1111.5V47 E130 E132 L447 M448V47-R427 HydrophobicContact CG1-CG 4.35Å; E130-R427 VanDerWaalsContact CD-NE 3.34Å; E130-R427 IonicContact OE1-CZ 3.58Å; E130-R427 IonicContact OE1-NE 3.49Å; E130-R427 PolarHBondContact OE1-NE 3.14Å; E130-R427 VanDerWaalsContact OE1-NE 3.09Å; E130-R427 IonicContact OE1-NH2 2.73Å; E130-R427 PolarHBondContact OE1-NH2 2.9Å; E130-R427 WeakPolarHBondContact OE2-CG 3.28Å; E130-R427 IonicContact OE2-NE 3.42Å; E130-R427 PolarHBondContact OE2-NE 2.66Å; E130-R427 VanDerWaalsContact OE2-NE 3.1Å; E132-R427 IonicContact OE1-CZ 3.92Å; E132-R427 IonicContact OE1-NH1 3.88Å; E132-R427 PolarHBondContact OE1-NH1 3.06Å; E132-R427 IonicContact OE1-NH2 3.57Å; E132-R427 IonicContact OE2-CZ 3.38Å; E132-R427 IonicContact OE2-NH1 3.2Å; E132-R427 PolarHBondContact OE2-NH1 2.86Å; E132-R427 IonicContact OE2-NH2 3.87Å; E132-R427 PolarHBondContact OE2-NH2 3.1Å; R427-L447 WeakPolarHBondContact O-CA 3.16Å; R427-M448 HydrophobicContact CB-CB 4.47Å; R427-M448 VanDerWaalsContact CD-SD 3.55Å; R427-M448 HydrophobicContact CG-CB 4.1Å; R427-M448 HydrophobicContact CG-CE 3.98Å; R427-M448 HydrophobicContact CG-SD 4.16Å; R427-M448 PolarHBondContact NE-SD 3.32Å; R427-M448 PolarHBondContact O-N 3.35Å
428K96.1Very high93Very high4 Ų438.8 Ų38.82%0.01722%0.22CC..EExtended strand (participates in β ladder)trans-115.3164.9-169.4-68.8172.6-66.6-67.80113.2E49 V424 G426 C446 R482 L533E49-K428 IonicContact OE1-NZ 2.69Å; E49-K428 WeakPolarHBondContact OE2-CE 3.42Å; E49-K428 IonicContact OE2-NZ 3.85Å; E49-K428 PolarHBondContact OE2-NZ 2.85Å; V424-K428 HydrophobicContact CB-CD 4.28Å; V424-K428 HydrophobicContact CG1-CD 3.74Å; V424-K428 PolarHBondContact O-NZ 2.86Å; G426-K428 PolarHBondContact O-NZ 3.43Å; K428-C446 CarbonylContact C-O 3.52Å; K428-C446 WeakPolarHBondContact CA-O 3.17Å; K428-C446 WeakPolarHBondContact CB-O 3.35Å; K428-R482 PolarHBondContact O-NH1 2.94Å; K428-L533 HydrophobicContact CD-CD1 4.24Å; K428-L533 HydrophobicContact CD-CD2 3.76Å; K428-L533 HydrophobicContact CG-CD1 4.23Å; K428-L533 HydrophobicContact CG-CD2 4Å
429T97Very high93.7Very high13 Ų1338.3 Ų38.38%0.0822%0.215CC..EExtended strand (participates in β ladder)trans-129.3146.2163.4-64.50000107.6Y431 C446T429-Y431 HydrophobicContact CG2-CD2 4.3Å; T429-Y431 HydrophobicContact CG2-CE1 4.21Å; T429-Y431 HydrophobicContact CG2-CE2 3.63Å; T429-C446 PolarHBondContact N-O 3.15Å; T429-C446 PolarHBondContact O-N 3.49Å
430V98Very high94.4Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-111123.4-176-172.90000109.1V126 D443 L445 L481V126-V430 HydrophobicContact CG1-CB 4.38Å; V126-V430 HydrophobicContact CG1-CG1 3.6Å; V126-V430 HydrophobicContact CG1-CG2 3.91Å; V430-D443 HydrophobicContact CG1-CB 4.44Å; V430-L445 HydrophobicContact CB-CD2 4.38Å; V430-L445 HydrophobicContact CG1-CD2 4.14Å; V430-L445 HydrophobicContact CG2-CD2 3.78Å; V430-L481 HydrophobicContact CB-CB 4.44Å; V430-L481 HydrophobicContact CG1-CD1 3.9Å; V430-L481 HydrophobicContact CG1-CG 4.44Å; V430-L481 PolarHBondContact O-N 3.41Å
431Y98.4Very high95.1Very high19 Ų1929.4 Ų29.48%0.07517%0.165CC..EExtended strand (participates in β ladder)trans-114.6122.3175.1-63.2-80000110.3T429 D443 L444 C446 P452 P453 V478 T479 C480T429-Y431 HydrophobicContact CG2-CD2 4.3Å; T429-Y431 HydrophobicContact CG2-CE1 4.21Å; T429-Y431 HydrophobicContact CG2-CE2 3.63Å; Y431-D443 CarbonylContact O-C 3.55Å; Y431-D443 WeakPolarHBondContact O-CA 3.25Å; Y431-L444 PolarHBondContact N-O 3.06Å; Y431-L444 PolarHBondContact O-N 2.71Å; Y431-C446 HydrophobicContact CD2-CB 4.37Å; Y431-C446 HydrophobicContact CE2-CB 4.12Å; Y431-P452 HydrophobicContact CE1-CB 3.7Å; Y431-P452 WeakPolarHBondContact OH-CA 3.49Å; Y431-P452 WeakPolarHBondContact OH-CB 3.48Å; Y431-P453 HydrophobicContact CD1-CG 4.08Å; Y431-P453 HydrophobicContact CD2-CG 3.9Å; Y431-P453 HydrophobicContact CE2-CG 4.43Å; Y431-P453 HydrophobicContact CG-CG 3.7Å; Y431-V478 HydrophobicContact CD1-CG1 3.95Å; Y431-V478 HydrophobicContact CG-CG1 4.38Å; Y431-T479 CarbonylContact C-O 3.57Å; Y431-T479 WeakPolarHBondContact CA-O 3.4Å; Y431-C480 HydrophobicContact CD1-CB 3.97Å; Y431-C480 HydrophobicContact CE1-CB 3.75Å
432R98.4Very high95.7Very high11 Ų1125.1 Ų25.14%0.04215%0.146CC..EExtended strand (participates in β ladder)trans-87.1124171.4-179.3155.8-70.6167.15.5109.9V121 L434 C440 D443 T479 L481V121-R432 VanDerWaalsContact O-CZ 3.24Å; V121-R432 PolarHBondContact O-NH1 3.39Å; V121-R432 PolarHBondContact O-NH2 3.43Å; R432-L434 HydrophobicContact CG-CD1 4.26Å; R432-L434 HydrophobicContact CG-CG 4.48Å; R432-C440 HydrophobicContact CG-CB 3.75Å; R432-D443 IonicContact CZ-OD1 3.34Å; R432-D443 IonicContact CZ-OD2 3.98Å; R432-D443 IonicContact NE-OD1 3.63Å; R432-D443 PolarHBondContact NE-OD1 3.32Å; R432-D443 IonicContact NE-OD2 2.68Å; R432-D443 IonicContact NH2-OD1 2.86Å; R432-D443 IonicContact NH2-OD2 3.22Å; R432-D443 PolarHBondContact NH2-OD2 3.11Å; R432-T479 PolarHBondContact N-O 3.24Å; R432-T479 PolarHBondContact O-N 3.23Å; R432-L481 HydrophobicContact CB-CD1 4.08Å; R432-L481 HydrophobicContact CB-CD2 3.86Å; R432-L481 HydrophobicContact CB-CG 4Å
433L98.3Very high96.2Very high0 Ų024.1 Ų24.10%014%0.139CC..EExtended strand (participates in β ladder)trans-96.7129.7177.5-55.8-164.8000109.5C440 F441 L442 L459 V473 P475 V478L433-C440 WeakPolarHBondContact O-CA 3.46Å; L433-F441 HydrophobicContact CB-CD1 4.49Å; L433-F441 HydrophobicContact CB-CE1 3.85Å; L433-F441 HydrophobicContact CB-CE2 4.29Å; L433-F441 HydrophobicContact CB-CZ 3.73Å; L433-F441 HydrophobicContact CD1-CZ 4.31Å; L433-F441 WeakPolarHBondContact O-CD1 3.22Å; L433-F441 PolarHBondContact O-N 3.43Å; L433-L442 HydrophobicContact CB-CB 4.29Å; L433-L442 WeakPolarHBondContact CB-O 3.25Å; L433-L442 HydrophobicContact CD1-CB 4.36Å; L433-L442 HydrophobicContact CD1-CD2 3.66Å; L433-L442 HydrophobicContact CG-CD2 4.02Å; L433-L442 PolarHBondContact N-O 3.07Å; L433-L459 HydrophobicContact CD1-CD1 3.99Å; L433-L459 HydrophobicContact CD2-CD1 4.38Å; L433-V473 HydrophobicContact CD1-CG2 3.92Å; L433-P475 HydrophobicContact CB-CB 4Å; L433-P475 HydrophobicContact CD1-CB 4.29Å; L433-P475 HydrophobicContact CD1-CG 4.37Å; L433-P475 HydrophobicContact CD2-CB 4.05Å; L433-P475 HydrophobicContact CD2-CG 4.12Å; L433-P475 HydrophobicContact CG-CB 4.33Å; L433-V478 HydrophobicContact CD2-CB 4.47Å; L433-V478 HydrophobicContact CD2-CG1 4.15Å; L433-V478 HydrophobicContact CD2-CG2 3.95Å
434L97.9Very high96.5Very high13 Ų1324.2 Ų24.27%0.06814%0.14CC..EExtended strand (participates in β ladder)trans-118.2145.5179-51.990.1000111.2R432 G438 H439 F441 A476 Q477R432-L434 HydrophobicContact CG-CD1 4.26Å; R432-L434 HydrophobicContact CG-CG 4.48Å; L434-G438 WeakPolarHBondContact CD2-O 3.34Å; L434-H439 CarbonylContact C-O 3.54Å; L434-H439 VanDerWaalsContact CA-O 3.23Å; L434-H439 WeakPolarHBondContact CA-O 3.47Å; L434-F441 VanDerWaalsContact C-CE1 3.48Å; L434-A476 PolarHBondContact O-N 2.94Å; L434-Q477 HydrophobicContact CB-CB 4.2Å; L434-Q477 HydrophobicContact CD1-CB 4.14Å; L434-Q477 PolarHBondContact N-O 2.97Å; L434-Q477 PolarHBondContact O-N 3.38Å
435D96.8Very high96.8Very high44 Ų4423.1 Ų23.124%0.23513%0.133CC..  trans-78.9179.5173.965.623.6000111.7D437 G438 H439 F441 A476D435-D437 PolarHBondContact O-N 3.04Å; D435-D437 WeakPolarHBondContact OD1-CA 2.99Å; D435-D437 WeakPolarHBondContact OD1-CB 3.34Å; D435-D437 PolarHBondContact OD1-N 3.13Å; D435-G438 PolarHBondContact O-N 3.08Å; D435-G438 VanDerWaalsContact O-N 3.07Å; D435-G438 PolarHBondContact OD1-N 3.26Å; D435-H439 PolarHBondContact N-O 3.47Å; D435-H439 PolarHBondContact OD1-N 3.08Å; D435-F441 HydrophobicContact CB-CD1 4.09Å; D435-F441 HydrophobicContact CB-CE1 4.48Å; D435-A476 VanDerWaalsContact C-CB 3.49Å
436A96.3Very high97Very high89 Ų8923.4 Ų23.474%0.73614%0.135SC*.THydrogen-bonded Turntrans-64.5-23.8-178.500000113.1G438 A476A436-G438 VanDerWaalsContact C-N 3.27Å; A436-A476 HydrophobicContact CB-CB 4.29Å
437D95.5Very high97.2Very high137 Ų13724.8 Ų24.873%0.73314%0.142SC*.THydrogen-bonded Turntrans-85.6-1.4177.4-60.3-42.6000112.2D435D435-D437 PolarHBondContact O-N 3.04Å; D435-D437 WeakPolarHBondContact OD1-CA 2.99Å; D435-D437 WeakPolarHBondContact OD1-CB 3.34Å; D435-D437 PolarHBondContact OD1-N 3.13Å
438G95Very high97.2Very high20 Ų2026.1 Ų26.121%0.20615%0.15CC..SBendtrans79.716.6-179.500000113.8L434 D435 A436L434-G438 WeakPolarHBondContact CD2-O 3.34Å; D435-G438 PolarHBondContact O-N 3.08Å; D435-G438 VanDerWaalsContact O-N 3.07Å; D435-G438 PolarHBondContact OD1-N 3.26Å; A436-G438 VanDerWaalsContact C-N 3.27Å
439H97.3Very high97.1Very high45 Ų4532.3 Ų32.321%0.20819%0.188CC..  trans-87.2135172.6-59.8115.2000111.3L434 D435 F441 T511 H513L434-H439 CarbonylContact C-O 3.54Å; L434-H439 VanDerWaalsContact CA-O 3.23Å; L434-H439 WeakPolarHBondContact CA-O 3.47Å; D435-H439 PolarHBondContact N-O 3.47Å; D435-H439 PolarHBondContact OD1-N 3.08Å; H439-F441 PolarHBondContact O-N 2.84Å; H439-T511 CarbonylContact C-O 3.36Å; H439-T511 WeakPolarHBondContact CA-O 3.2Å; H439-H513 HydrophobicContact CB-CB 4.28Å; H439-H513 AromaticContact ND1-CD2 3.91Å
440C96.9Very high97Very high1 Ų133 Ų331%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-69.7131.8169.861.70000110.3R432 L433 T511 Y525R432-C440 HydrophobicContact CG-CB 3.75Å; L433-C440 WeakPolarHBondContact O-CA 3.46Å; C440-T511 PolarHBondContact N-O 3.43Å; C440-T511 PolarHBondContact SG-O 3.49Å; C440-Y525 HydrophobicContact CB-CE2 4.23Å
441F96.8Very high96.9Very high43 Ų4337.6 Ų37.619%0.18922%0.221CC..EExtended strand (participates in β ladder)trans-126.4-18.2-179.771.7-92.8000113.9L433 L434 D435 H439 V473 P475L433-F441 HydrophobicContact CB-CD1 4.49Å; L433-F441 HydrophobicContact CB-CE1 3.85Å; L433-F441 HydrophobicContact CB-CE2 4.29Å; L433-F441 HydrophobicContact CB-CZ 3.73Å; L433-F441 HydrophobicContact CD1-CZ 4.31Å; L433-F441 WeakPolarHBondContact O-CD1 3.22Å; L433-F441 PolarHBondContact O-N 3.43Å; L434-F441 VanDerWaalsContact C-CE1 3.48Å; D435-F441 HydrophobicContact CB-CD1 4.09Å; D435-F441 HydrophobicContact CB-CE1 4.48Å; H439-F441 PolarHBondContact O-N 2.84Å; F441-V473 HydrophobicContact CE2-CB 4.16Å; F441-V473 HydrophobicContact CE2-CG1 4.26Å; F441-V473 HydrophobicContact CZ-CB 4.5Å; F441-P475 HydrophobicContact CZ-CB 4.39Å
442L97.6Very high96.8Very high5 Ų540.6 Ų40.63%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-153.7136.8179.4-174.2149.5000111.4L433 L444 V473 Y525 T526 A528L433-L442 HydrophobicContact CB-CB 4.29Å; L433-L442 WeakPolarHBondContact CB-O 3.25Å; L433-L442 HydrophobicContact CD1-CB 4.36Å; L433-L442 HydrophobicContact CD1-CD2 3.66Å; L433-L442 HydrophobicContact CG-CD2 4.02Å; L433-L442 PolarHBondContact N-O 3.07Å; L442-L444 HydrophobicContact CD2-CB 3.76Å; L442-V473 HydrophobicContact CD1-CG1 4.42Å; L442-Y525 PolarHBondContact N-OH 3.26Å; L442-Y525 PolarHBondContact O-OH 2.93Å; L442-T526 VanDerWaalsContact CA-O 3.32Å; L442-T526 WeakPolarHBondContact CA-O 3.26Å; L442-T526 HydrophobicContact CD1-CG2 3.73Å; L442-T526 HydrophobicContact CG-CG2 4.13Å; L442-A528 HydrophobicContact CD1-CB 4.06Å; L442-A528 HydrophobicContact CD2-CB 4.18Å; L442-A528 HydrophobicContact CG-CB 4.36Å
443D98.4Very high96.8Very high0 Ų040.9 Ų40.90%025%0.246CC..EExtended strand (participates in β ladder)trans-103.5119.3165.4-76.45.4000109.2F123 V126 V430 Y431 R432 Y525 T526 V527 A528F123-D443 WeakPolarHBondContact CD2-OD2 3.31Å; V126-D443 HydrophobicContact CG2-CB 4.17Å; V430-D443 HydrophobicContact CG1-CB 4.44Å; Y431-D443 CarbonylContact O-C 3.55Å; Y431-D443 WeakPolarHBondContact O-CA 3.25Å; R432-D443 IonicContact CZ-OD1 3.34Å; R432-D443 IonicContact CZ-OD2 3.98Å; R432-D443 IonicContact NE-OD1 3.63Å; R432-D443 PolarHBondContact NE-OD1 3.32Å; R432-D443 IonicContact NE-OD2 2.68Å; R432-D443 IonicContact NH2-OD1 2.86Å; R432-D443 IonicContact NH2-OD2 3.22Å; R432-D443 PolarHBondContact NH2-OD2 3.11Å; D443-Y525 HydrophobicContact CB-CE1 3.88Å; D443-Y525 PolarHBondContact N-OH 3.4Å; D443-Y525 PolarHBondContact OD1-OH 3.4Å; D443-T526 PolarHBondContact N-O 2.87Å; D443-V527 CarbonylContact O-C 3.54Å; D443-V527 WeakPolarHBondContact O-CA 3.28Å; D443-A528 PolarHBondContact O-N 2.57Å
444L98.4Very high96.7Very high7 Ų748 Ų484%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-99.4121.7-179.2-176.563.9000110.2Y431 L442 P453 L459 C461 A528Y431-L444 PolarHBondContact N-O 3.06Å; Y431-L444 PolarHBondContact O-N 2.71Å; L442-L444 HydrophobicContact CD2-CB 3.76Å; L444-P453 HydrophobicContact CD2-CG 4.27Å; L444-L459 HydrophobicContact CD2-CD1 4.11Å; L444-C461 HydrophobicContact CD1-CB 4.22Å; L444-A528 HydrophobicContact CD1-CB 4.31Å
445L98.3Very high96.6Very high1 Ų150 Ų501%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-91.1120.6171.6-52.8-176.2000109.1V126 V430 V527 A528 L529 S530 L533V126-L445 HydrophobicContact CG1-CD2 4.43Å; V430-L445 HydrophobicContact CB-CD2 4.38Å; V430-L445 HydrophobicContact CG1-CD2 4.14Å; V430-L445 HydrophobicContact CG2-CD2 3.78Å; L445-V527 HydrophobicContact CD1-CG1 4.1Å; L445-V527 HydrophobicContact CG-CG1 4.12Å; L445-A528 PolarHBondContact N-O 2.9Å; L445-L529 HydrophobicContact CB-CD2 4.01Å; L445-L529 HydrophobicContact CD1-CD2 3.93Å; L445-L529 HydrophobicContact CG-CD2 4.39Å; L445-S530 PolarHBondContact O-N 3.45Å; L445-L533 HydrophobicContact CB-CD2 3.73Å; L445-L533 VanDerWaalsContact O-CD2 3.31Å; L445-L533 WeakPolarHBondContact O-CD2 3.41Å
446C97.9Very high96.7Very high6 Ų650.6 Ų50.64%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-117.2158.3172.8-57.70000109.7K428 T429 Y431 E450K428-C446 CarbonylContact C-O 3.52Å; K428-C446 WeakPolarHBondContact CA-O 3.17Å; K428-C446 WeakPolarHBondContact CB-O 3.35Å; T429-C446 PolarHBondContact N-O 3.15Å; T429-C446 PolarHBondContact O-N 3.49Å; Y431-C446 HydrophobicContact CD2-CB 4.37Å; Y431-C446 HydrophobicContact CE2-CB 4.12Å; C446-E450 WeakPolarHBondContact CA-OE1 3.16Å; C446-E450 HydrophobicContact CB-CB 4.16Å
447L96.8Very high96.7Very high29 Ų2949.2 Ų49.215%0.15230%0.296CS..EExtended strand (participates in β ladder)trans-62.6146.1162.6-65.5166.3000109.5R427 V449 E450 K532 L533 L536R427-L447 WeakPolarHBondContact O-CA 3.16Å; L447-V449 HydrophobicContact CB-CG2 4.09Å; L447-V449 PolarHBondContact O-N 2.85Å; L447-V449 VanDerWaalsContact O-N 3.16Å; L447-E450 HydrophobicContact CB-CG 4.05Å; L447-E450 PolarHBondContact N-OE1 2.8Å; L447-E450 WeakPolarHBondContact O-CB 3.42Å; L447-E450 PolarHBondContact O-N 2.88Å; L447-K532 HydrophobicContact CD1-CB 4.2Å; L447-L533 HydrophobicContact CD2-CD1 3.63Å; L447-L533 HydrophobicContact CG-CB 4.22Å; L447-L533 HydrophobicContact CG-CD1 4Å; L447-L536 HydrophobicContact CD2-CD2 3.7Å
448M94.3Very high96.8Very high61 Ų6147.2 Ų47.230%0.329%0.289SS..THydrogen-bonded Turntrans-58.8-29.9-179.8179176-79.600113.3R427 E450R427-M448 HydrophobicContact CB-CB 4.47Å; R427-M448 VanDerWaalsContact CD-SD 3.55Å; R427-M448 HydrophobicContact CG-CB 4.1Å; R427-M448 HydrophobicContact CG-CE 3.98Å; R427-M448 HydrophobicContact CG-SD 4.16Å; R427-M448 PolarHBondContact NE-SD 3.32Å; R427-M448 PolarHBondContact O-N 3.35Å; M448-E450 PolarHBondContact O-N 2.95Å
449V94.3Very high96.9Very high134 Ų13447.7 Ų47.781%0.81229%0.287SS*.THydrogen-bonded Turntrans-76.9-8.2178.7-61.30000113.6L447L447-V449 HydrophobicContact CB-CG2 4.09Å; L447-V449 PolarHBondContact O-N 2.85Å; L447-V449 VanDerWaalsContact O-N 3.16Å
450E96.1Very high96.8Very high27 Ų2748.6 Ų48.613%0.12630%0.295CS..SBendtrans-77.2141.8178.1-69.9-178.2-95.600111.4C446 L447 M448 S530 K532C446-E450 WeakPolarHBondContact CA-OE1 3.16Å; C446-E450 HydrophobicContact CB-CB 4.16Å; L447-E450 HydrophobicContact CB-CG 4.05Å; L447-E450 PolarHBondContact N-OE1 2.8Å; L447-E450 WeakPolarHBondContact O-CB 3.42Å; L447-E450 PolarHBondContact O-N 2.88Å; M448-E450 PolarHBondContact O-N 2.95Å; E450-S530 VanDerWaalsContact CD-OG 3.3Å; E450-S530 PolarHBondContact OE1-OG 3.2Å; E450-S530 WeakPolarHBondContact OE2-CB 3.21Å; E450-S530 PolarHBondContact OE2-OG 3.15Å; E450-K532 HydrophobicContact CG-CB 4.44Å; E450-K532 HydrophobicContact CG-CD 3.81Å
451P95.9Very high96.8Very high98 Ų9848.6 Ų48.664%0.63630%0.295SS*.PPolyproline II helixtrans-62.6148172.228.7-34.6000110.3
452P96.3Very high96.8Very high81 Ų8147.6 Ų47.653%0.52629%0.29SS..PPolyproline II helixtrans-61.5140.1177.724.9-33.5000110.9Y431Y431-P452 HydrophobicContact CE1-CB 3.7Å; Y431-P452 WeakPolarHBondContact OH-CA 3.49Å; Y431-P452 WeakPolarHBondContact OH-CB 3.48Å
453P96.9Very high96.7Very high18 Ų1849 Ų4912%0.11730%0.3CS..PPolyproline II helixtrans-61.9150.8170.820.3-22.5000110.4Y431 L444 L459 V478Y431-P453 HydrophobicContact CD1-CG 4.08Å; Y431-P453 HydrophobicContact CD2-CG 3.9Å; Y431-P453 HydrophobicContact CE2-CG 4.43Å; Y431-P453 HydrophobicContact CG-CG 3.7Å; L444-P453 HydrophobicContact CD2-CG 4.27Å; P453-L459 HydrophobicContact CB-CD1 3.65Å; P453-L459 HydrophobicContact CB-CD2 3.88Å; P453-L459 HydrophobicContact CB-CG 4.42Å; P453-V478 HydrophobicContact CB-CG1 4.4Å; P453-V478 HydrophobicContact CG-CG1 3.79Å
454K96.8Very high96.3Very high148 Ų14851.6 Ų51.664%0.64331%0.314SS*.  trans-108.9140.8-177.8-64.6-177.1-178.2-179.70110.8C457K454-C457 HydrophobicContact CB-CB 4.33Å; K454-C457 PolarHBondContact O-N 3.2Å
455A97.3Very high95.5Very high57 Ų5755.3 Ų55.347%0.47135%0.353SS..THydrogen-bonded Turntrans-57.5141.7170.100000111C457 A476A455-C457 PolarHBondContact O-N 3.32Å; A455-A476 WeakPolarHBondContact CB-O 3.29Å
456G97.1Very high94.5Very high56 Ų5657.2 Ų57.258%0.57737%0.373SS*.THydrogen-bonded Turntrans75-5.3-17900000115.3P475G456-P475 PolarHBondContact N-O 3.44Å
457C97.1Very high93.5Very high59 Ų5963.3 Ų63.340%0.39941%0.406SS..SBendtrans-95.1133.3176-63.20000111K454 A455 L459 P475K454-C457 HydrophobicContact CB-CB 4.33Å; K454-C457 PolarHBondContact O-N 3.2Å; A455-C457 PolarHBondContact O-N 3.32Å; C457-L459 PolarHBondContact O-N 3.39Å; C457-P475 WeakPolarHBondContact O-CD 3.47Å
458T97.2Very high92.6Very high95 Ų9567.6 Ų67.658%0.58343%0.429SS*.  trans-67.7132.1174.5-54.10000110.7V473 T474T458-V473 CarbonylContact C-O 3.55Å; T458-V473 WeakPolarHBondContact CA-O 3.48Å; T458-T474 PolarHBondContact OG1-OG1 3.19Å
459L96.9Very high92.4Very high31 Ų3167.4 Ų67.416%0.16243%0.433CS..EExtended strand (participates in β ladder)trans-115.9138.7178.9-56.3172.9000109.3L433 L444 P453 C457 S472 V473 P475L433-L459 HydrophobicContact CD1-CD1 3.99Å; L433-L459 HydrophobicContact CD2-CD1 4.38Å; L444-L459 HydrophobicContact CD2-CD1 4.11Å; P453-L459 HydrophobicContact CB-CD1 3.65Å; P453-L459 HydrophobicContact CB-CD2 3.88Å; P453-L459 HydrophobicContact CB-CG 4.42Å; C457-L459 PolarHBondContact O-N 3.39Å; L459-S472 WeakPolarHBondContact O-CA 3.4Å; L459-V473 HydrophobicContact CB-CG2 4.12Å; L459-V473 PolarHBondContact N-O 2.71Å; L459-V473 PolarHBondContact O-N 3.2Å; L459-P475 HydrophobicContact CD1-CG 4.1Å
460T96.8Very high92.4Very high64 Ų6464.2 Ų64.239%0.39342%0.417SS..EExtended strand (participates in β ladder)trans-94.3118167.5-55.80000108.5Y462T460-Y462 HydrophobicContact CG2-CE2 4.3Å
461C96.4Very high92.3Very high1 Ų166 Ų661%0.00743%0.429CS..EExtended strand (participates in β ladder)trans-122.3150.3-174.5-58.20000110.5L444 S470 V471 A528L444-C461 HydrophobicContact CD1-CB 4.22Å; C461-S470 CarbonylContact O-C 3.43Å; C461-S470 WeakPolarHBondContact O-CA 3.36Å; C461-V471 PolarHBondContact N-O 3.08Å; C461-V471 PolarHBondContact O-N 2.9Å; C461-A528 HydrophobicContact CB-CB 3.83Å
462Y96.6Very high92.3Very high21 Ų2165.3 Ų65.38%0.08243%0.427CS..EExtended strand (participates in β ladder)trans-115.3102.2178-64.2-85000109.8T460 L464 A528 L529 E531 R534T460-Y462 HydrophobicContact CG2-CE2 4.3Å; Y462-L464 PolarHBondContact O-N 3.48Å; Y462-A528 CarbonylContact O-C 3.52Å; Y462-A528 VanDerWaalsContact O-CA 3.26Å; Y462-A528 WeakPolarHBondContact O-CA 3.35Å; Y462-A528 WeakPolarHBondContact O-CB 3.19Å; Y462-L529 PolarHBondContact N-O 3.33Å; Y462-L529 PolarHBondContact O-N 2.87Å; Y462-E531 HydrophobicContact CE2-CB 3.92Å; Y462-E531 HydrophobicContact CE2-CG 4.1Å; Y462-R534 HydrophobicContact CD1-CG 4.34Å; Y462-R534 HydrophobicContact CD2-CB 3.96Å; Y462-R534 HydrophobicContact CD2-CG 4.16Å; Y462-R534 HydrophobicContact CG-CB 4.19Å; Y462-R534 HydrophobicContact CG-CG 3.96Å; Y462-R534 PolarHBondContact OH-NH2 3.08Å
463P95.2Very high92.4Very high35 Ų3562.4 Ų62.423%0.22741%0.408CS..EExtended strand (participates in β ladder)trans-54.5131179.4-26.936000112.2G465 G466 S469 V471 T526P463-G465 PolarHBondContact O-N 3.44Å; P463-G466 PolarHBondContact O-N 3.04Å; P463-S469 WeakPolarHBondContact CD-O 3.5Å; P463-V471 HydrophobicContact CG-CB 4.49Å; P463-V471 HydrophobicContact CG-CG2 3.67Å; P463-T526 HydrophobicContact CB-CG2 4.31Å; P463-T526 HydrophobicContact CG-CG2 4.45Å
464L90.6Very high92.4Very high55 Ų5565.2 Ų65.229%0.28843%0.425SS..THydrogen-bonded Turntrans-69.6124.9-179.2-170.868.7000109.9R125 V424 Y462 G466 V527 L529R125-L464 HydrophobicContact CB-CD2 3.47Å; R125-L464 VanDerWaalsContact CB-CD2 3.47Å; R125-L464 HydrophobicContact CG-CD2 4.11Å; V424-L464 HydrophobicContact CG2-CD1 4.09Å; Y462-L464 PolarHBondContact O-N 3.48Å; L464-G466 VanDerWaalsContact C-N 3.34Å; L464-V527 WeakPolarHBondContact CB-O 3.42Å; L464-V527 HydrophobicContact CD2-CG1 4.4Å; L464-V527 PolarHBondContact N-O 3.44Å; L464-L529 HydrophobicContact CD1-CD1 4.3Å; L464-L529 HydrophobicContact CD1-CD2 4.21Å; L464-L529 HydrophobicContact CD1-CG 4.33Å
465G80.9Confident92.5Very high84 Ų8458.2 Ų58.287%0.86639%0.394SS*.THydrogen-bonded Turntrans83.33.9-177.700000115P463P463-G465 PolarHBondContact O-N 3.44Å
466G76.4Confident92.5Very high42 Ų4257.6 Ų57.643%0.43339%0.389SS..SBendtrans-78.1-176.8170.400000113.6P463 L464 N468P463-G466 PolarHBondContact O-N 3.04Å; L464-G466 VanDerWaalsContact C-N 3.34Å; G466-N468 PolarHBondContact O-N 2.88Å
467D78.4Confident92.5Very high134 Ų13459.7 Ų59.772%0.71738%0.384SS*.SBendtrans-77.624.6178.265.8-16.3000113.9S469D467-S469 PolarHBondContact O-N 2.91Å; D467-S469 WeakPolarHBondContact OD1-CB 3.37Å; D467-S469 PolarHBondContact OD1-N 3.4Å; D467-S469 VanDerWaalsContact OD1-N 3.09Å; D467-S469 PolarHBondContact OD1-OG 3.18Å
468N77.6Confident92.6Very high119 Ų11958.6 Ų58.664%0.63638%0.376SS*.SBendtrans60.811.4-169.5-69.3-25.4000115.6G466G466-N468 PolarHBondContact O-N 2.88Å
469S89.9Confident92.6Very high57 Ų5757.1 Ų57.140%0.39937%0.367SS..  trans-65.1143.8170.161.10000111.6P463 D467P463-S469 WeakPolarHBondContact CD-O 3.5Å; D467-S469 PolarHBondContact O-N 2.91Å; D467-S469 WeakPolarHBondContact OD1-CB 3.37Å; D467-S469 PolarHBondContact OD1-N 3.4Å; D467-S469 VanDerWaalsContact OD1-N 3.09Å; D467-S469 PolarHBondContact OD1-OG 3.18Å
470S93.3Very high92.6Very high66 Ų6658.7 Ų58.746%0.46238%0.379SS..  trans-88144.6172.455.30000111C461C461-S470 CarbonylContact O-C 3.43Å; C461-S470 WeakPolarHBondContact O-CA 3.36Å
471V94.8Very high92.5Very high64 Ų6456.3 Ų56.339%0.38836%0.364SS..EExtended strand (participates in β ladder)trans-115.3136.1169.8-176.60000108.6C461 P463 V473C461-V471 PolarHBondContact N-O 3.08Å; C461-V471 PolarHBondContact O-N 2.9Å; P463-V471 HydrophobicContact CG-CB 4.49Å; P463-V471 HydrophobicContact CG-CG2 3.67Å; V471-V473 HydrophobicContact CG1-CG1 3.92Å
472S96.6Very high92.4Very high85 Ų8557.3 Ų57.359%0.59437%0.368SS*.EExtended strand (participates in β ladder)trans-94.5125.5172.3-690000110L459L459-S472 WeakPolarHBondContact O-CA 3.4Å
473V96.9Very high92.4Very high19 Ų1960.7 Ų60.712%0.11538%0.383CS..EExtended strand (participates in β ladder)trans-131.9147-179.7-59.40000110.9L433 F441 L442 T458 L459 V471L433-V473 HydrophobicContact CD1-CG2 3.92Å; F441-V473 HydrophobicContact CE2-CB 4.16Å; F441-V473 HydrophobicContact CE2-CG1 4.26Å; F441-V473 HydrophobicContact CZ-CB 4.5Å; L442-V473 HydrophobicContact CD1-CG1 4.42Å; T458-V473 CarbonylContact C-O 3.55Å; T458-V473 WeakPolarHBondContact CA-O 3.48Å; L459-V473 HydrophobicContact CB-CG2 4.12Å; L459-V473 PolarHBondContact N-O 2.71Å; L459-V473 PolarHBondContact O-N 3.2Å; V471-V473 HydrophobicContact CG1-CG1 3.92Å
474T97.9Very high92.5Very high77 Ų7763.5 Ų63.547%0.47239%0.393SS..  trans-125.2100.6176-53.30000108.7T458T458-T474 PolarHBondContact OG1-OG1 3.19Å
475P97.9Very high92.8Very high1 Ų161.5 Ų61.51%0.00638%0.383CS..  trans-74.5138.8-17830.2-34.1000111.2L433 F441 G456 C457 L459 V478L433-P475 HydrophobicContact CB-CB 4Å; L433-P475 HydrophobicContact CD1-CB 4.29Å; L433-P475 HydrophobicContact CD1-CG 4.37Å; L433-P475 HydrophobicContact CD2-CB 4.05Å; L433-P475 HydrophobicContact CD2-CG 4.12Å; L433-P475 HydrophobicContact CG-CB 4.33Å; F441-P475 HydrophobicContact CZ-CB 4.39Å; G456-P475 PolarHBondContact N-O 3.44Å; C457-P475 WeakPolarHBondContact O-CD 3.47Å; L459-P475 HydrophobicContact CD1-CG 4.1Å; P475-V478 HydrophobicContact CB-CG2 4.06Å; P475-V478 HydrophobicContact CG-CG2 3.69Å
476A98.1Very high93.6Very high45 Ų4557.5 Ų57.537%0.37234%0.342SS..SBendtrans-74-33.1169.300000111L434 D435 A436 A455L434-A476 PolarHBondContact O-N 2.94Å; D435-A476 VanDerWaalsContact C-CB 3.49Å; A436-A476 HydrophobicContact CB-CB 4.29Å; A455-A476 WeakPolarHBondContact CB-O 3.29Å
477Q97.9Very high94.6Very high99 Ų9958.5 Ų58.546%0.46334%0.337SS..EExtended strand (participates in β ladder)trans-139.9152.1175.3-50.617827.600111.2L434L434-Q477 HydrophobicContact CB-CB 4.2Å; L434-Q477 HydrophobicContact CD1-CB 4.14Å; L434-Q477 PolarHBondContact N-O 2.97Å; L434-Q477 PolarHBondContact O-N 3.38Å
478V97.8Very high95.3Very high37 Ų3759.4 Ų59.422%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-130.1124.9179.1-179.30000108.4Y431 L433 P453 P475Y431-V478 HydrophobicContact CD1-CG1 3.95Å; Y431-V478 HydrophobicContact CG-CG1 4.38Å; L433-V478 HydrophobicContact CD2-CB 4.47Å; L433-V478 HydrophobicContact CD2-CG1 4.15Å; L433-V478 HydrophobicContact CD2-CG2 3.95Å; P453-V478 HydrophobicContact CB-CG1 4.4Å; P453-V478 HydrophobicContact CG-CG1 3.79Å; P475-V478 HydrophobicContact CB-CG2 4.06Å; P475-V478 HydrophobicContact CG-CG2 3.69Å
479T97Very high95.9Very high64 Ų6454.4 Ų54.439%0.39331%0.313SS..EExtended strand (participates in β ladder)trans-117.2122176.2-55.90000110.1Y431 R432 L481Y431-T479 CarbonylContact C-O 3.57Å; Y431-T479 WeakPolarHBondContact CA-O 3.4Å; R432-T479 PolarHBondContact N-O 3.24Å; R432-T479 PolarHBondContact O-N 3.23Å; T479-L481 HydrophobicContact CG2-CD2 4.07Å; T479-L481 PolarHBondContact O-N 2.96Å
480C97.4Very high96.1Very high63 Ų6357.1 Ų57.143%0.42632%0.32SS..EExtended strand (participates in β ladder)trans-73.5120.2167.1-1740000108.8Y431Y431-C480 HydrophobicContact CD1-CB 3.97Å; Y431-C480 HydrophobicContact CE1-CB 3.75Å
481L95.8Very high96.2Very high14 Ų1455.8 Ų55.87%0.07331%0.309CS..  trans-87.4-17.8-177.9-57-176.7000113L116 P117 V430 R432 T479L116-L481 WeakPolarHBondContact CA-O 3.23Å; L116-L481 HydrophobicContact CD1-CB 4.33Å; L116-L481 HydrophobicContact CD2-CB 4.39Å; L116-L481 HydrophobicContact CD2-CD1 3.97Å; L116-L481 HydrophobicContact CG-CB 3.88Å; L116-L481 HydrophobicContact CG-CD1 4.36Å; P117-L481 VanDerWaalsContact CD-O 3.24Å; P117-L481 WeakPolarHBondContact CD-O 3.41Å; V430-L481 HydrophobicContact CB-CB 4.44Å; V430-L481 HydrophobicContact CG1-CD1 3.9Å; V430-L481 HydrophobicContact CG1-CG 4.44Å; V430-L481 PolarHBondContact O-N 3.41Å; R432-L481 HydrophobicContact CB-CD1 4.08Å; R432-L481 HydrophobicContact CB-CD2 3.86Å; R432-L481 HydrophobicContact CB-CG 4Å; T479-L481 HydrophobicContact CG2-CD2 4.07Å; T479-L481 PolarHBondContact O-N 2.96Å
482R94.1Very high96.2Very high23 Ų2356 Ų569%0.08731%0.31CS..  trans-84.5125.5-173.4-169.7164.6-69.2-161.25.3110.4E49 R114 E130 K428E49-R482 IonicContact OE1-CZ 3.67Å; E49-R482 IonicContact OE1-NH1 3.22Å; E49-R482 PolarHBondContact OE1-NH1 3.42Å; E49-R482 IonicContact OE1-NH2 3.82Å; E49-R482 PolarHBondContact OE1-NH2 2.98Å; R114-R482 HydrophobicContact CB-CG 3.68Å; E130-R482 IonicContact OE2-CZ 2.96Å; E130-R482 IonicContact OE2-NH1 3.85Å; E130-R482 PolarHBondContact OE2-NH1 3.28Å; K428-R482 PolarHBondContact O-NH1 2.94Å
483K95.6Very high95.8Very high91 Ų9156.8 Ų56.840%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-122.7145174.2-65.7-169.4172.7-162.50111.2R114 S115 P117 V485 E493R114-K483 CarbonylContact C-O 3.57Å; R114-K483 WeakPolarHBondContact CA-O 3.45Å; S115-K483 PolarHBondContact N-O 3.43Å; S115-K483 PolarHBondContact O-N 3.31Å; P117-K483 HydrophobicContact CG-CD 4.23Å; K483-V485 HydrophobicContact CB-CG1 4.22Å; K483-V485 PolarHBondContact O-N 2.73Å; K483-E493 IonicContact NZ-OE1 2.67Å
484E96.9Very high95.5Very high94 Ų9461.7 Ų61.744%0.43934%0.337SS..EExtended strand (participates in β ladder)trans-75.4118.1167.6-75.3176.5171.900109.1R114 T492R114-E484 HydrophobicContact CG-CB 4.44Å; R114-E484 HydrophobicContact CG-CG 3.55Å; R114-E484 IonicContact CZ-OE1 3.05Å; R114-E484 VanDerWaalsContact CZ-OE1 3.22Å; R114-E484 IonicContact NE-OE1 3.74Å; R114-E484 PolarHBondContact NE-OE1 3.29Å; R114-E484 IonicContact NH2-OE1 3.78Å; R114-E484 PolarHBondContact NH2-OE1 2.96Å; E484-T492 PolarHBondContact O-OG1 3.04Å
485V97.4Very high95.1Very high14 Ų1460.4 Ų60.49%0.08533%0.327CS..EExtended strand (participates in β ladder)trans-119.2-17.1-172.1-65.40000113L67 L71 I113 K483 V491 T492L67-V485 HydrophobicContact CD1-CG2 4.13Å; L67-V485 HydrophobicContact CD2-CG1 4.32Å; L71-V485 HydrophobicContact CD1-CB 4.5Å; L71-V485 HydrophobicContact CD2-CB 4.32Å; L71-V485 HydrophobicContact CD2-CG2 4.1Å; I113-V485 HydrophobicContact CB-CG2 3.9Å; I113-V485 HydrophobicContact CG2-CG2 3.59Å; I113-V485 WeakPolarHBondContact O-CG2 3.36Å; I113-V485 PolarHBondContact O-N 2.87Å; K483-V485 HydrophobicContact CB-CG1 4.22Å; K483-V485 PolarHBondContact O-N 2.73Å; V485-V491 WeakPolarHBondContact O-CA 3.45Å; V485-V491 WeakPolarHBondContact O-CG1 3.49Å; V485-T492 WeakPolarHBondContact CA-OG1 3.44Å; V485-T492 PolarHBondContact O-N 2.98Å; V485-T492 VanDerWaalsContact O-N 3.15Å; V485-T492 PolarHBondContact O-OG1 3.21Å
486F98.1Very high94.7Very high0 Ų061.7 Ų61.70%034%0.336CS..EExtended strand (participates in β ladder)trans-147126.2175.5-169.6-95.3000109.5L71 L74 C108 V111 T112 I113 G489 Q490 V491L71-F486 HydrophobicContact CD2-CB 3.78Å; L71-F486 HydrophobicContact CD2-CD2 4.17Å; L71-F486 HydrophobicContact CD2-CG 4.39Å; L74-F486 HydrophobicContact CB-CD2 4.38Å; L74-F486 HydrophobicContact CB-CE1 4.27Å; L74-F486 HydrophobicContact CB-CE2 3.86Å; L74-F486 HydrophobicContact CB-CZ 3.78Å; L74-F486 HydrophobicContact CD1-CD1 4.43Å; L74-F486 HydrophobicContact CD1-CG 4.36Å; C108-F486 HydrophobicContact CB-CE1 4.02Å; C108-F486 HydrophobicContact CB-CZ 4.13Å; C108-F486 WeakPolarHBondContact O-CE1 3.47Å; V111-F486 HydrophobicContact CB-CE1 4.41Å; V111-F486 WeakPolarHBondContact O-CD1 3.18Å; T112-F486 CarbonylContact C-O 3.54Å; T112-F486 VanDerWaalsContact CA-O 3.32Å; T112-F486 WeakPolarHBondContact CA-O 3.49Å; I113-F486 HydrophobicContact CB-CB 3.71Å; I113-F486 HydrophobicContact CG1-CB 3.68Å; I113-F486 HydrophobicContact CG1-CD1 4.21Å; I113-F486 HydrophobicContact CG1-CG 4.23Å; I113-F486 PolarHBondContact N-O 2.87Å; I113-F486 PolarHBondContact O-N 3.48Å; F486-G489 VanDerWaalsContact CZ-C 3.43Å; F486-G489 VanDerWaalsContact CZ-CA 3.44Å; F486-Q490 CarbonylContact C-O 3.54Å; F486-Q490 VanDerWaalsContact CA-O 3.25Å; F486-Q490 WeakPolarHBondContact CA-O 3.45Å; F486-Q490 WeakPolarHBondContact CD2-O 3.45Å; F486-V491 HydrophobicContact CD2-CG2 4.22Å
487L97.2Very high94.5Very high63 Ų6362 Ų6233%0.3334%0.335SS..EExtended strand (participates in β ladder)trans-148137.7-177.9-176.867.1000108.8T112 G489 Q490 T492T112-L487 HydrophobicContact CG2-CD1 3.89Å; L487-G489 PolarHBondContact O-N 3.2Å; L487-G489 VanDerWaalsContact O-N 3.16Å; L487-Q490 PolarHBondContact N-O 2.86Å; L487-Q490 PolarHBondContact O-N 3.39Å; L487-T492 HydrophobicContact CB-CG2 4.03Å
488E92.6Very high94.3Very high153 Ų15357.4 Ų57.472%0.71531%0.314SS*.THydrogen-bonded Turntrans53.737.3176-67.5175.7-17100113.7S109 Q490S109-E488 CarbonylContact O-C 3.35Å; S109-E488 VanDerWaalsContact O-CA 3.24Å; S109-E488 WeakPolarHBondContact O-CA 3.39Å; E488-Q490 PolarHBondContact O-N 2.68Å
489G90.8Very high94.2Very high14 Ų1458.6 Ų58.614%0.14433%0.328CS..THydrogen-bonded Turntrans75.56.8-178.600000115.1S109 F486 L487S109-G489 PolarHBondContact O-N 3.5Å; F486-G489 VanDerWaalsContact CZ-C 3.43Å; F486-G489 VanDerWaalsContact CZ-CA 3.44Å; L487-G489 PolarHBondContact O-N 3.2Å; L487-G489 VanDerWaalsContact O-N 3.16Å
490Q94.1Very high94.2Very high113 Ų11360.6 Ų60.653%0.52833%0.333SS..EExtended strand (participates in β ladder)trans-120.1147.6-177.3-59-58.4-36.700111.9F486 L487 E488F486-Q490 CarbonylContact C-O 3.54Å; F486-Q490 VanDerWaalsContact CA-O 3.25Å; F486-Q490 WeakPolarHBondContact CA-O 3.45Å; F486-Q490 WeakPolarHBondContact CD2-O 3.45Å; L487-Q490 PolarHBondContact N-O 2.86Å; L487-Q490 PolarHBondContact O-N 3.39Å; E488-Q490 PolarHBondContact O-N 2.68Å
491V95.4Very high94.2Very high39 Ų3957.6 Ų57.624%0.23631%0.313CS..EExtended strand (participates in β ladder)trans-77.3132168.8-1720000108.7L71 V485 F486 E493 L495L71-V491 HydrophobicContact CB-CG2 4.01Å; L71-V491 HydrophobicContact CD1-CG1 3.97Å; V485-V491 WeakPolarHBondContact O-CA 3.45Å; V485-V491 WeakPolarHBondContact O-CG1 3.49Å; F486-V491 HydrophobicContact CD2-CG2 4.22Å; V491-E493 WeakPolarHBondContact CG1-O 3.31Å; V491-L495 HydrophobicContact CG1-CD2 4.01Å
492T94.4Very high94.3Very high68 Ų6859.3 Ų59.342%0.41732%0.318SS..SBendtrans-82.8-25.8-172.457.70000114E484 V485 L487E484-T492 PolarHBondContact O-OG1 3.04Å; V485-T492 WeakPolarHBondContact CA-OG1 3.44Å; V485-T492 PolarHBondContact O-N 2.98Å; V485-T492 VanDerWaalsContact O-N 3.15Å; V485-T492 PolarHBondContact O-OG1 3.21Å; L487-T492 HydrophobicContact CB-CG2 4.03Å
493E88.4Confident94.5Very high101 Ų10161.1 Ų61.147%0.47234%0.338SS..SBendtrans-128.5150.2177.6-68.4-176-178.800110.3K483 V491 L495K483-E493 IonicContact NZ-OE1 2.67Å; V491-E493 WeakPolarHBondContact CG1-O 3.31Å; E493-L495 PolarHBondContact O-N 3.05Å
494P89.8Confident94.6Very high123 Ų12361 Ų6180%0.79934%0.337SS*.PPolyproline II helixtrans-56.4137.8173.8-24.434.2000112.6C496P494-C496 PolarHBondContact O-N 2.76Å
495L90.4Very high94.7Very high50 Ų5056.5 Ų56.526%0.26232%0.316SS..PPolyproline II helixtrans-65.1136177.3-58.1177.1000110.7N68 L71 L72 V491 E493N68-L495 WeakPolarHBondContact OD1-CD2 3.46Å; L71-L495 HydrophobicContact CB-CD2 4.14Å; L71-L495 HydrophobicContact CD1-CD2 3.72Å; L72-L495 HydrophobicContact CD1-CD1 4.12Å; L72-L495 HydrophobicContact CD2-CD1 3.25Å; L72-L495 HydrophobicContact CG-CD1 3.7Å; V491-L495 HydrophobicContact CG1-CD2 4.01Å; E493-L495 PolarHBondContact O-N 3.05Å
496C90.6Very high94.6Very high28 Ų2858.4 Ų58.419%0.18932%0.324CS..PPolyproline II helixtrans-78.9140.3179.7-64.50000111.6N68 P494 E500 T501 K504N68-C496 PolarHBondContact ND2-O 3.45Å; P494-C496 PolarHBondContact O-N 2.76Å; C496-E500 HydrophobicContact CB-CB 4.16Å; C496-T501 WeakPolarHBondContact CB-OG1 3.49Å; C496-K504 PolarHBondContact SG-NZ 3.23Å
497S93.3Very high94.6Very high50 Ų5061.7 Ų61.735%0.3535%0.347SS..PPolyproline II helixtrans-63.9161.7167.4670000111.7A499 E500 T501S497-A499 PolarHBondContact O-N 3.32Å; S497-E500 WeakPolarHBondContact CB-OE2 3.19Å; S497-E500 PolarHBondContact N-OE2 3.28Å; S497-E500 PolarHBondContact O-N 3.33Å; S497-E500 VanDerWaalsContact OG-CD 3.27Å; S497-E500 VanDerWaalsContact OG-CG 3.28Å; S497-E500 WeakPolarHBondContact OG-CG 3.36Å; S497-E500 PolarHBondContact OG-N 3.14Å; S497-E500 PolarHBondContact OG-OE2 3.44Å; S497-T501 PolarHBondContact O-N 3.4Å; S497-T501 PolarHBondContact O-OG1 3.44Å
498A94.4Very high94.5Very high3 Ų359.4 Ų59.43%0.02534%0.337CS..Hα-helixtrans-59.4-33.7176.300000112.5I195 F210 R502I195-A498 HydrophobicContact CD1-CB 4.45Å; I195-A498 HydrophobicContact CG1-CB 4.32Å; F210-A498 HydrophobicContact CB-CB 4.25Å; A498-R502 VanDerWaalsContact O-CB 3.29Å; A498-R502 WeakPolarHBondContact O-CB 3.38Å; A498-R502 PolarHBondContact O-N 2.8Å
499A95.5Very high94.7Very high63 Ų6353 Ų5352%0.52131%0.307SS..Hα-helixtrans-69.4-42.6177.500000112.4S497 R502 A503S497-A499 PolarHBondContact O-N 3.32Å; A499-R502 WeakPolarHBondContact O-CB 3.19Å; A499-R502 PolarHBondContact O-N 3.04Å; A499-A503 PolarHBondContact O-N 3.11Å
500E96.8Very high95Very high105 Ų10559 Ų5949%0.49133%0.331SS..Hα-helixtrans-65.9-44.2176.4-71.1161.714200111.3C496 S497 R502 A503 K504C496-E500 HydrophobicContact CB-CB 4.16Å; S497-E500 WeakPolarHBondContact CB-OE2 3.19Å; S497-E500 PolarHBondContact N-OE2 3.28Å; S497-E500 PolarHBondContact O-N 3.33Å; S497-E500 VanDerWaalsContact OG-CD 3.27Å; S497-E500 VanDerWaalsContact OG-CG 3.28Å; S497-E500 WeakPolarHBondContact OG-CG 3.36Å; S497-E500 PolarHBondContact OG-N 3.14Å; S497-E500 PolarHBondContact OG-OE2 3.44Å; E500-R502 VanDerWaalsContact C-N 3.32Å; E500-R502 PolarHBondContact O-N 3.29Å; E500-A503 WeakPolarHBondContact O-CB 3.49Å; E500-A503 PolarHBondContact O-N 2.89Å; E500-A503 VanDerWaalsContact O-N 3.17Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 3.3Å
501T97.4Very high95Very high1 Ų155.5 Ų55.51%0.00632%0.318CS..Hα-helixtrans-64.4-37.8176-53.60000111.3E118 I195 C496 S497 A503 K504 V505E118-T501 HydrophobicContact CB-CG2 4.37Å; E118-T501 HydrophobicContact CG-CG2 4Å; I195-T501 HydrophobicContact CD1-CG2 4.09Å; I195-T501 HydrophobicContact CG1-CG2 4.45Å; I195-T501 HydrophobicContact CG2-CG2 3.77Å; C496-T501 WeakPolarHBondContact CB-OG1 3.49Å; S497-T501 PolarHBondContact O-N 3.4Å; S497-T501 PolarHBondContact O-OG1 3.44Å; T501-A503 VanDerWaalsContact C-N 3.35Å; T501-A503 PolarHBondContact O-N 3.21Å; T501-K504 WeakPolarHBondContact O-CB 3.34Å; T501-K504 PolarHBondContact O-N 3.19Å; T501-V505 PolarHBondContact O-N 3.39Å
502R98Very high95.1Very high49 Ų4953.7 Ų53.719%0.18531%0.307CS..Hα-helixtrans-58.3-45.6171.3-177.1-176.9176.8134.8-3111.4H194 F198 D199 A498 A499 E500 K504 V505 Q506H194-R502 PolarHBondContact CE1-NH1 2.77Å; H194-R502 PolarHBondContact ND1-NH1 3.32Å; H194-R502 VanDerWaalsContact ND1-NH1 3.13Å; H194-R502 WeakPolarHBondContact O-CD 3.29Å; H194-R502 PolarHBondContact O-NH1 3.07Å; H194-R502 VanDerWaalsContact O-NH1 3.1Å; F198-R502 PolarHBondContact O-NH1 2.83Å; D199-R502 IonicContact OD1-CZ 3.1Å; D199-R502 IonicContact OD1-NH2 3.09Å; D199-R502 PolarHBondContact OD1-NH2 2.85Å; A498-R502 VanDerWaalsContact O-CB 3.29Å; A498-R502 WeakPolarHBondContact O-CB 3.38Å; A498-R502 PolarHBondContact O-N 2.8Å; A499-R502 WeakPolarHBondContact O-CB 3.19Å; A499-R502 PolarHBondContact O-N 3.04Å; E500-R502 VanDerWaalsContact C-N 3.32Å; E500-R502 PolarHBondContact O-N 3.29Å; R502-K504 VanDerWaalsContact C-N 3.33Å; R502-K504 PolarHBondContact O-N 3Å; R502-V505 WeakPolarHBondContact O-CB 3.33Å; R502-V505 PolarHBondContact O-N 3.46Å; R502-Q506 WeakPolarHBondContact O-CG 3.49Å; R502-Q506 PolarHBondContact O-N 3.33Å
503A97.8Very high95.2Very high61 Ų6153.6 Ų53.650%0.50430%0.301SS..Hα-helixtrans-62.2-40.5177.900000112A499 E500 T501 Q506 S507A499-A503 PolarHBondContact O-N 3.11Å; E500-A503 WeakPolarHBondContact O-CB 3.49Å; E500-A503 PolarHBondContact O-N 2.89Å; E500-A503 VanDerWaalsContact O-N 3.17Å; T501-A503 VanDerWaalsContact C-N 3.35Å; T501-A503 PolarHBondContact O-N 3.21Å; A503-Q506 PolarHBondContact O-N 3.24Å; A503-S507 PolarHBondContact O-N 3.32Å
504K97.4Very high95.5Very high89 Ų8952.4 Ų52.439%0.38730%0.303SS..Hα-helixtrans-60.5-43.8173-69.6176.1-179.6-179.40112.1C496 E500 T501 R502 Q506 S507 S508C496-K504 PolarHBondContact SG-NZ 3.23Å; E500-K504 WeakPolarHBondContact O-CG 3.39Å; E500-K504 PolarHBondContact O-N 3.3Å; T501-K504 WeakPolarHBondContact O-CB 3.34Å; T501-K504 PolarHBondContact O-N 3.19Å; R502-K504 VanDerWaalsContact C-N 3.33Å; R502-K504 PolarHBondContact O-N 3Å; K504-Q506 PolarHBondContact O-N 3.42Å; K504-S507 PolarHBondContact O-N 2.88Å; K504-S508 WeakPolarHBondContact O-CB 3.28Å; K504-S508 PolarHBondContact O-N 3.05Å
505V98.3Very high95.8Very high0 Ų051.3 Ų51.30%028%0.283CS..Hα-helixtrans-57.6-48.6173.7165.60000111.3L63 G119 I195 T501 R502 S507 S508 L509L63-V505 HydrophobicContact CD1-CG1 3.55Å; L63-V505 HydrophobicContact CD1-CG2 4.3Å; L63-V505 HydrophobicContact CD2-CG1 4.08Å; L63-V505 HydrophobicContact CD2-CG2 4.49Å; L63-V505 HydrophobicContact CG-CG1 4.47Å; G119-V505 VanDerWaalsContact CA-CG2 3.44Å; G119-V505 WeakPolarHBondContact O-CA 3.4Å; I195-V505 HydrophobicContact CG2-CG2 3.67Å; T501-V505 PolarHBondContact O-N 3.39Å; R502-V505 WeakPolarHBondContact O-CB 3.33Å; R502-V505 PolarHBondContact O-N 3.46Å; V505-S507 PolarHBondContact O-N 3.16Å; V505-S508 PolarHBondContact O-N 3.25Å; V505-L509 HydrophobicContact CG1-CD1 3.74Å; V505-L509 HydrophobicContact CG1-CG 4.32Å; V505-L509 WeakPolarHBondContact O-CB 3.38Å; V505-L509 VanDerWaalsContact O-CG 3.32Å; V505-L509 WeakPolarHBondContact O-CG 3.49Å; V505-L509 PolarHBondContact O-N 2.81Å
506Q96.6Very high96.1Very high54 Ų5449 Ų4925%0.25227%0.271SS..Hα-helixtrans-62-43.7-179.8-63.3-51.4-51.400111.7R502 A503 K504 L509 Q510R502-Q506 WeakPolarHBondContact O-CG 3.49Å; R502-Q506 PolarHBondContact O-N 3.33Å; A503-Q506 PolarHBondContact O-N 3.24Å; K504-Q506 PolarHBondContact O-N 3.42Å; Q506-L509 PolarHBondContact O-N 3.42Å; Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 3.27Å
507S96.6Very high96.4Very high68 Ų6850.1 Ų50.148%0.47627%0.272SS..Hα-helixtrans-62.5-44.1175.3179.70000111.8A503 K504 V505 L509 Q510 T511A503-S507 PolarHBondContact O-N 3.32Å; K504-S507 PolarHBondContact O-N 2.88Å; V505-S507 PolarHBondContact O-N 3.16Å; S507-L509 VanDerWaalsContact C-N 3.33Å; S507-L509 PolarHBondContact O-N 2.91Å; S507-Q510 WeakPolarHBondContact O-CB 3.47Å; S507-Q510 PolarHBondContact O-N 2.56Å; S507-Q510 VanDerWaalsContact O-N 3.17Å; S507-T511 PolarHBondContact O-N 3.36Å
508S96.8Very high96.4Very high16 Ų1653.3 Ų53.311%0.11228%0.276CS..Hα-helixtrans-68.1-30.5179.1-168.40000113.2V121 K504 V505 Q510 T511V121-S508 WeakPolarHBondContact CB-OG 3.39Å; V121-S508 WeakPolarHBondContact CG2-O 3.07Å; V121-S508 WeakPolarHBondContact CG2-OG 3.29Å; V121-S508 PolarHBondContact N-OG 3.12Å; K504-S508 WeakPolarHBondContact O-CB 3.28Å; K504-S508 PolarHBondContact O-N 3.05Å; V505-S508 PolarHBondContact O-N 3.25Å; S508-Q510 VanDerWaalsContact C-N 3.31Å; S508-T511 PolarHBondContact O-OG1 3.35Å
509L97.1Very high96.4Very high17 Ų1755.2 Ų55.29%0.08929%0.286CS..Hα-helixtrans-72.2-25.4174.3-74.9170.3000112.8F61 L63 V121 V505 Q506 S507 L512 K517F61-L509 HydrophobicContact CD2-CD2 4.22Å; F61-L509 HydrophobicContact CE1-CD2 4.41Å; F61-L509 HydrophobicContact CE2-CD2 3.41Å; F61-L509 VanDerWaalsContact CE2-CD2 3.41Å; F61-L509 HydrophobicContact CZ-CD2 3.52Å; L63-L509 HydrophobicContact CD2-CD2 4.24Å; L63-L509 HydrophobicContact CD2-CG 4.36Å; V121-L509 HydrophobicContact CG2-CD2 3.91Å; V121-L509 HydrophobicContact CG2-CG 4.29Å; V505-L509 HydrophobicContact CG1-CD1 3.74Å; V505-L509 HydrophobicContact CG1-CG 4.32Å; V505-L509 WeakPolarHBondContact O-CB 3.38Å; V505-L509 VanDerWaalsContact O-CG 3.32Å; V505-L509 WeakPolarHBondContact O-CG 3.49Å; V505-L509 PolarHBondContact O-N 2.81Å; Q506-L509 PolarHBondContact O-N 3.42Å; S507-L509 VanDerWaalsContact C-N 3.33Å; S507-L509 PolarHBondContact O-N 2.91Å; L509-L512 PolarHBondContact O-N 2.64Å; L509-K517 PolarHBondContact O-NZ 3.48Å
510Q95.4Very high96.2Very high140 Ų14058.4 Ų58.465%0.65429%0.29SS*.Hα-helixtrans-70.5-34.5175.7-72.3168.9-5.300111.7Q506 S507 S508 L512Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 3.27Å; S507-Q510 WeakPolarHBondContact O-CB 3.47Å; S507-Q510 PolarHBondContact O-N 2.56Å; S507-Q510 VanDerWaalsContact O-N 3.17Å; S508-Q510 VanDerWaalsContact C-N 3.31Å; Q510-L512 PolarHBondContact O-N 2.77Å
511T95.4Very high96Very high41 Ų4161.6 Ų61.625%0.25231%0.305SS..THydrogen-bonded Turntrans-73-8.7176.371.70000113.2H439 C440 S507 S508H439-T511 CarbonylContact C-O 3.36Å; H439-T511 WeakPolarHBondContact CA-O 3.2Å; C440-T511 PolarHBondContact N-O 3.43Å; C440-T511 PolarHBondContact SG-O 3.49Å; S507-T511 PolarHBondContact O-N 3.36Å; S508-T511 PolarHBondContact O-OG1 3.35Å
512L96.3Very high95.9Very high0 Ų062.7 Ų62.70%031%0.312CS..BIsolated β-bridgetrans-90.6123.7180-171.763.5000110.5F61 V121 F123 L509 Q510 H516 K517F61-L512 HydrophobicContact CB-CD2 3.88Å; F61-L512 HydrophobicContact CD1-CD2 3.47Å; F61-L512 VanDerWaalsContact CD1-CD2 3.47Å; F61-L512 HydrophobicContact CD2-CD2 4.36Å; F61-L512 HydrophobicContact CE1-CD2 4.1Å; F61-L512 HydrophobicContact CG-CD2 3.63Å; V121-L512 HydrophobicContact CG1-CD1 4.42Å; V121-L512 HydrophobicContact CG1-CD2 4.11Å; F123-L512 HydrophobicContact CE1-CD1 4.29Å; F123-L512 HydrophobicContact CZ-CD1 3.82Å; L509-L512 PolarHBondContact O-N 2.64Å; Q510-L512 PolarHBondContact O-N 2.77Å; L512-H516 HydrophobicContact CD1-CB 3.7Å; L512-H516 HydrophobicContact CD2-CB 3.97Å; L512-H516 HydrophobicContact CG-CB 3.84Å; L512-K517 HydrophobicContact CB-CD 4.38Å; L512-K517 HydrophobicContact CB-CG 4.36Å; L512-K517 HydrophobicContact CD2-CD 4.46Å; L512-K517 HydrophobicContact CD2-CG 3.66Å; L512-K517 HydrophobicContact CG-CG 4.05Å; L512-K517 WeakPolarHBondContact O-CE 3.1Å; L512-K517 PolarHBondContact O-NZ 2.89Å
513H96.8Very high95.8Very high66 Ų6663.4 Ų63.431%0.30632%0.32SS..  trans-57.4139.3177.2-170.2-85.9000111.2H439 R515 H516H439-H513 HydrophobicContact CB-CB 4.28Å; H439-H513 AromaticContact ND1-CD2 3.91Å; H513-R515 HydrophobicContact CB-CG 4.28Å; H513-R515 WeakPolarHBondContact ND1-CB 3.35Å; H513-R515 WeakPolarHBondContact ND1-CD 3.37Å; H513-R515 WeakPolarHBondContact ND1-CG 3.26Å; H513-R515 PolarHBondContact ND1-N 3.16Å; H513-R515 PolarHBondContact O-N 2.85Å; H513-H516 PolarHBondContact O-N 2.91Å
514P95.4Very high95.6Very high77 Ų7765.6 Ų65.650%0.533%0.331SS..Hα-helixtrans-50.6-31.9-177.5-30.936.3000115.7H516 K517 R518P514-H516 VanDerWaalsContact C-N 3.26Å; P514-H516 PolarHBondContact O-N 3.47Å; P514-K517 PolarHBondContact O-N 2.98Å; P514-R518 PolarHBondContact O-N 3.25Å
515R96.3Very high95.6Very high99 Ų9962.4 Ų62.437%0.37432%0.317SS..Hα-helixtrans-56.8-34177.375.3-167.8175.1173.7-9.3114.4H513 D523H513-R515 HydrophobicContact CB-CG 4.28Å; H513-R515 WeakPolarHBondContact ND1-CB 3.35Å; H513-R515 WeakPolarHBondContact ND1-CD 3.37Å; H513-R515 WeakPolarHBondContact ND1-CG 3.26Å; H513-R515 PolarHBondContact ND1-N 3.16Å; H513-R515 PolarHBondContact O-N 2.85Å; R515-D523 HydrophobicContact CB-CB 4.21Å; R515-D523 WeakPolarHBondContact CB-OD2 3.48Å; R515-D523 WeakPolarHBondContact CD-OD2 3.49Å; R515-D523 PolarHBondContact O-N 3.38Å; R515-D523 HydrophobicContact CG-CB 3.94Å; R515-D523 VanDerWaalsContact O-N 3.15Å
516H96.8Very high95.5Very high3 Ų365.1 Ų65.11%0.01433%0.334CS..Hα-helixtrans-85.2-16.8177.9-55.3-59.4000112.2G60 L512 H513 P514 D523 S524G60-H516 WeakPolarHBondContact CA-O 3.43Å; L512-H516 HydrophobicContact CD1-CB 3.7Å; L512-H516 HydrophobicContact CD2-CB 3.97Å; L512-H516 HydrophobicContact CG-CB 3.84Å; H513-H516 PolarHBondContact O-N 2.91Å; P514-H516 VanDerWaalsContact C-N 3.26Å; P514-H516 PolarHBondContact O-N 3.47Å; H516-D523 PolarHBondContact ND1-O 3.26Å; H516-S524 VanDerWaalsContact CE1-O 3.26Å; H516-S524 PolarHBondContact CE1-O 3.47Å
517K95.6Very high95.5Very high51 Ų5163.2 Ų63.222%0.22233%0.326CS..Hα-helixtrans-87.4-5.6178.3-68.6-175.2-71.3-156.10113.6F61 L164 L509 L512 P514 L519F61-K517 HydrophobicContact CE1-CG 4.19Å; L164-K517 HydrophobicContact CD1-CB 4.34Å; L509-K517 PolarHBondContact O-NZ 3.48Å; L512-K517 HydrophobicContact CB-CD 4.38Å; L512-K517 HydrophobicContact CB-CG 4.36Å; L512-K517 HydrophobicContact CD2-CD 4.46Å; L512-K517 HydrophobicContact CD2-CG 3.66Å; L512-K517 HydrophobicContact CG-CG 4.05Å; L512-K517 WeakPolarHBondContact O-CE 3.1Å; L512-K517 PolarHBondContact O-NZ 2.89Å; P514-K517 PolarHBondContact O-N 2.98Å; K517-L519 PolarHBondContact O-N 3.49Å
518R94.8Very high95.6Very high116 Ų11660 Ų6044%0.43830%0.303SS..  trans-58.8135.1178.1-64-167.5-60-145.1-6.8110.2P514 Q520 E521 P522 D523P514-R518 PolarHBondContact O-N 3.25Å; R518-Q520 VanDerWaalsContact C-N 3.31Å; R518-Q520 WeakPolarHBondContact CB-O 3.43Å; R518-E521 VanDerWaalsContact CZ-O 3.3Å; R518-E521 PolarHBondContact NE-O 3.21Å; R518-E521 PolarHBondContact NH2-O 2.86Å; R518-P522 HydrophobicContact CB-CB 4.31Å; R518-P522 WeakPolarHBondContact O-CB 3.43Å; R518-D523 IonicContact NH2-OD1 2.76Å; R518-D523 PolarHBondContact NH2-OD1 3.49Å; R518-D523 IonicContact CZ-OD1 2.67Å
519L92.6Very high95.6Very high44 Ų4459.8 Ų59.823%0.2330%0.301CS..SBendtrans-73.2-28.6179.2-66.7174.6000112.6R161 L164 A165 K517R161-L519 HydrophobicContact CB-CD2 3.9Å; R161-L519 HydrophobicContact CG-CD2 4.18Å; R161-L519 PolarHBondContact NH2-O 2.84Å; R161-L519 VanDerWaalsContact NH2-O 3.17Å; L164-L519 HydrophobicContact CB-CD2 4.2Å; A165-L519 HydrophobicContact CB-CD1 3.63Å; K517-L519 PolarHBondContact O-N 3.49Å
520Q91.8Very high95.6Very high130 Ų13059.4 Ų59.461%0.60730%0.299SS*.SBendtrans-118.3133.6177.2-58.2-59.3-26.800108.7R518R518-Q520 VanDerWaalsContact C-N 3.31Å; R518-Q520 WeakPolarHBondContact CB-O 3.43Å
521E93Very high95.6Very high171 Ų17157.6 Ų57.680%0.79929%0.291SS*.SBendtrans45.354.6176.6-57.3-179.115400113.7R518R518-E521 VanDerWaalsContact CZ-O 3.3Å; R518-E521 PolarHBondContact NE-O 3.21Å; R518-E521 PolarHBondContact NH2-O 2.86Å
522P96.1Very high95.7Very high25 Ų2561.6 Ų61.616%0.16231%0.305CS..PPolyproline II helixtrans-64.6147.3174.926.7-30.5000111.1G58 R518G58-P522 WeakPolarHBondContact O-CD 3.41Å; R518-P522 HydrophobicContact CB-CB 4.31Å; R518-P522 WeakPolarHBondContact O-CB 3.43Å
523D95.6Very high95.7Very high63 Ų6361.6 Ų61.634%0.33731%0.305SS..PPolyproline II helixtrans-63.4141.7172.5-71-1.8000109.6R515 H516 R518R515-D523 HydrophobicContact CB-CB 4.21Å; R515-D523 WeakPolarHBondContact CB-OD2 3.48Å; R515-D523 WeakPolarHBondContact CD-OD2 3.49Å; R515-D523 PolarHBondContact O-N 3.38Å; R515-D523 HydrophobicContact CG-CB 3.94Å; R515-D523 VanDerWaalsContact O-N 3.15Å; H516-D523 PolarHBondContact ND1-O 3.26Å; R518-D523 IonicContact NH2-OD1 2.76Å; R518-D523 PolarHBondContact NH2-OD1 3.49Å; R518-D523 IonicContact CZ-OD1 2.67Å
524S93.1Very high95.6Very high107 Ų10761.5 Ų61.575%0.74830%0.302SS*.PPolyproline II helixtrans-64.7145.5175.858.20000111.2H516H516-S524 VanDerWaalsContact CE1-O 3.26Å; H516-S524 PolarHBondContact CE1-O 3.47Å
525Y96.5Very high95.5Very high23 Ų2361 Ų619%0.0930%0.295CS..PPolyproline II helixtrans-97.6134.5173.3-174-92.2000109.9F123 C440 L442 D443 V527F123-Y525 HydrophobicContact CB-CD1 4.09Å; F123-Y525 VanDerWaalsContact CD1-CB 3.43Å; F123-Y525 AromaticContact CD1-CD1 3.61Å; F123-Y525 HydrophobicContact CD1-CD1 3.61Å; F123-Y525 HydrophobicContact CD1-CD2 4.26Å; F123-Y525 HydrophobicContact CD1-CE1 4.39Å; F123-Y525 AromaticContact CD1-CG 3.51Å; F123-Y525 HydrophobicContact CD1-CG 3.51Å; F123-Y525 AromaticContact CD2-CD1 3.33Å; F123-Y525 HydrophobicContact CD2-CD1 3.33Å; F123-Y525 HydrophobicContact CD2-CD2 4.47Å; F123-Y525 AromaticContact CD2-CE1 3.29Å; F123-Y525 HydrophobicContact CD2-CE1 3.29Å; F123-Y525 HydrophobicContact CD2-CE2 4.44Å; F123-Y525 AromaticContact CD2-CG 3.94Å; F123-Y525 HydrophobicContact CD2-CG 3.94Å; F123-Y525 AromaticContact CD2-CZ 3.88Å; F123-Y525 VanDerWaalsContact CE1-CB 3.43Å; F123-Y525 AromaticContact CE1-CD1 3.78Å; F123-Y525 HydrophobicContact CE1-CD1 3.78Å; F123-Y525 AromaticContact CE1-CD2 3.59Å; F123-Y525 HydrophobicContact CE1-CD2 3.59Å; F123-Y525 HydrophobicContact CE1-CE1 4.39Å; F123-Y525 HydrophobicContact CE1-CE2 4.22Å; F123-Y525 AromaticContact CE1-CG 3.31Å; F123-Y525 HydrophobicContact CE1-CG 3.31Å; F123-Y525 AromaticContact CE2-CD1 3.51Å; F123-Y525 HydrophobicContact CE2-CD1 3.51Å; F123-Y525 AromaticContact CE2-CD2 3.84Å; F123-Y525 HydrophobicContact CE2-CD2 3.84Å; F123-Y525 AromaticContact CE2-CE1 3.29Å; F123-Y525 HydrophobicContact CE2-CE1 3.29Å; F123-Y525 AromaticContact CE2-CE2 3.64Å; F123-Y525 HydrophobicContact CE2-CE2 3.64Å; F123-Y525 AromaticContact CE2-CG 3.76Å; F123-Y525 HydrophobicContact CE2-CG 3.76Å; F123-Y525 AromaticContact CE2-CZ 3.34Å; F123-Y525 AromaticContact CG-CD1 3.37Å; F123-Y525 HydrophobicContact CG-CD1 3.37Å; F123-Y525 AromaticContact CG-CE1 3.87Å; F123-Y525 HydrophobicContact CG-CE1 3.87Å; F123-Y525 AromaticContact CG-CG 3.81Å; F123-Y525 HydrophobicContact CG-CG 3.81Å; F123-Y525 AromaticContact CZ-CD1 3.72Å; F123-Y525 HydrophobicContact CZ-CD1 3.72Å; F123-Y525 AromaticContact CZ-CD2 3.34Å; F123-Y525 HydrophobicContact CZ-CD2 3.34Å; F123-Y525 AromaticContact CZ-CE1 3.86Å; F123-Y525 HydrophobicContact CZ-CE1 3.86Å; F123-Y525 AromaticContact CZ-CE2 3.5Å; F123-Y525 HydrophobicContact CZ-CE2 3.5Å; F123-Y525 VanDerWaalsContact CZ-CE2 3.5Å; F123-Y525 AromaticContact CZ-CG 3.43Å; F123-Y525 HydrophobicContact CZ-CG 3.43Å; F123-Y525 VanDerWaalsContact CZ-CG 3.43Å; F123-Y525 AromaticContact CZ-CZ 3.74Å; C440-Y525 HydrophobicContact CB-CE2 4.23Å; L442-Y525 PolarHBondContact N-OH 3.26Å; L442-Y525 PolarHBondContact O-OH 2.93Å; D443-Y525 HydrophobicContact CB-CE1 3.88Å; D443-Y525 PolarHBondContact N-OH 3.4Å; D443-Y525 PolarHBondContact OD1-OH 3.4Å; Y525-V527 HydrophobicContact CD1-CG2 4.35Å; Y525-V527 PolarHBondContact O-N 3.25Å
526T96.4Very high95.4Very high56 Ų5657.7 Ų57.734%0.34429%0.285SS..EExtended strand (participates in β ladder)trans-80.5121.6-177.3-53.50000111L442 D443 P463L442-T526 VanDerWaalsContact CA-O 3.32Å; L442-T526 WeakPolarHBondContact CA-O 3.26Å; L442-T526 HydrophobicContact CD1-CG2 3.73Å; L442-T526 HydrophobicContact CG-CG2 4.13Å; D443-T526 PolarHBondContact N-O 2.87Å; P463-T526 HydrophobicContact CB-CG2 4.31Å; P463-T526 HydrophobicContact CG-CG2 4.45Å
527V97.4Very high95.2Very high14 Ų1458.3 Ų58.39%0.08529%0.289CS..EExtended strand (participates in β ladder)trans-108.3131.2163.9-178.70000107.1F123 V126 D443 L445 L464 Y525F123-V527 HydrophobicContact CB-CG2 4.16Å; V126-V527 HydrophobicContact CG2-CB 4.48Å; V126-V527 HydrophobicContact CG2-CG1 3.89Å; V126-V527 HydrophobicContact CG2-CG2 3.69Å; D443-V527 CarbonylContact O-C 3.54Å; D443-V527 WeakPolarHBondContact O-CA 3.28Å; L445-V527 HydrophobicContact CD1-CG1 4.1Å; L445-V527 HydrophobicContact CG-CG1 4.12Å; L464-V527 WeakPolarHBondContact CB-O 3.42Å; L464-V527 HydrophobicContact CD2-CG1 4.4Å; L464-V527 PolarHBondContact N-O 3.44Å; Y525-V527 HydrophobicContact CD1-CG2 4.35Å; Y525-V527 PolarHBondContact O-N 3.25Å
528A97.5Very high95Very high0 Ų057.6 Ų57.60%029%0.288CS..EExtended strand (participates in β ladder)trans-133.9159.8-175.800000112.5L442 D443 L444 L445 C461 Y462L442-A528 HydrophobicContact CD1-CB 4.06Å; L442-A528 HydrophobicContact CD2-CB 4.18Å; L442-A528 HydrophobicContact CG-CB 4.36Å; D443-A528 PolarHBondContact O-N 2.57Å; L444-A528 HydrophobicContact CD1-CB 4.31Å; L445-A528 PolarHBondContact N-O 2.9Å; C461-A528 HydrophobicContact CB-CB 3.83Å; Y462-A528 CarbonylContact O-C 3.52Å; Y462-A528 VanDerWaalsContact O-CA 3.26Å; Y462-A528 WeakPolarHBondContact O-CA 3.35Å; Y462-A528 WeakPolarHBondContact O-CB 3.19Å
529L97.7Very high94.8Very high13 Ų1358.6 Ų58.67%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-100.6146.5174.9-50.4-177.3000110.4V424 L445 Y462 L464 L533 R534V424-L529 HydrophobicContact CG1-CD2 4.14Å; V424-L529 HydrophobicContact CG2-CD2 4.4Å; L445-L529 HydrophobicContact CB-CD2 4.01Å; L445-L529 HydrophobicContact CD1-CD2 3.93Å; L445-L529 HydrophobicContact CG-CD2 4.39Å; Y462-L529 PolarHBondContact N-O 3.33Å; Y462-L529 PolarHBondContact O-N 2.87Å; L464-L529 HydrophobicContact CD1-CD1 4.3Å; L464-L529 HydrophobicContact CD1-CD2 4.21Å; L464-L529 HydrophobicContact CD1-CG 4.33Å; L529-L533 HydrophobicContact CB-CD2 4.43Å; L529-L533 HydrophobicContact CB-CG 4.49Å; L529-L533 HydrophobicContact CD2-CD2 3.81Å; L529-L533 HydrophobicContact CD2-CG 4.34Å; L529-R534 HydrophobicContact CB-CB 4.3Å; L529-R534 HydrophobicContact CD1-CB 4.46Å
530S97.6Very high94.6Very high8 Ų859.1 Ų59.16%0.05630%0.301CS..  trans-63.4160.4161.7740000110.7L445 E450 K532 L533 R534L445-S530 PolarHBondContact O-N 3.45Å; E450-S530 VanDerWaalsContact CD-OG 3.3Å; E450-S530 PolarHBondContact OE1-OG 3.2Å; E450-S530 WeakPolarHBondContact OE2-CB 3.21Å; E450-S530 PolarHBondContact OE2-OG 3.15Å; S530-K532 VanDerWaalsContact C-N 3.35Å; S530-K532 PolarHBondContact O-N 3.26Å; S530-L533 PolarHBondContact O-N 3.37Å; S530-L533 VanDerWaalsContact OG-CB 3.26Å; S530-L533 WeakPolarHBondContact OG-CB 3.2Å; S530-L533 PolarHBondContact OG-N 2.99Å; S530-L533 VanDerWaalsContact OG-N 3.11Å; S530-R534 WeakPolarHBondContact O-CB 3.42Å; S530-R534 PolarHBondContact O-N 2.88Å
531E95.6Very high94.4Very high103 Ų10356.9 Ų56.948%0.48129%0.29SS..Hα-helixtrans-58.6-45176.1-173179.1-174.700112.4Y462 R534 N535Y462-E531 HydrophobicContact CE2-CB 3.92Å; Y462-E531 HydrophobicContact CE2-CG 4.1Å; E531-R534 PolarHBondContact O-N 3.2Å; E531-N535 PolarHBondContact O-ND2 3.34Å; E531-N535 PolarHBondContact O-N 3.15Å; E531-N535 WeakPolarHBondContact O-CB 3.46Å
532K96.3Very high93.9Very high124 Ų12455.5 Ų55.554%0.53928%0.281SS..Hα-helixtrans-64.8-42.7179.7-69.9179.1173.4-179.80111.9L447 E450 S530 N535 L536L447-K532 HydrophobicContact CD1-CB 4.2Å; E450-K532 HydrophobicContact CG-CB 4.44Å; E450-K532 HydrophobicContact CG-CD 3.81Å; S530-K532 VanDerWaalsContact C-N 3.35Å; S530-K532 PolarHBondContact O-N 3.26Å; K532-N535 PolarHBondContact O-N 3.24Å; K532-L536 PolarHBondContact O-N 2.91Å
533L96.3Very high92.5Very high0 Ų055.7 Ų55.70%029%0.288CS..Hα-helixtrans-65-41.7176.6-17857.9000111.4V424 K428 L445 L447 L529 S530 N535 L536 V537V424-L533 HydrophobicContact CG1-CD1 3.95Å; V424-L533 HydrophobicContact CG1-CD2 4.02Å; V424-L533 HydrophobicContact CG1-CG 4.07Å; K428-L533 HydrophobicContact CD-CD1 4.24Å; K428-L533 HydrophobicContact CD-CD2 3.76Å; K428-L533 HydrophobicContact CG-CD1 4.23Å; K428-L533 HydrophobicContact CG-CD2 4Å; L445-L533 HydrophobicContact CB-CD2 3.73Å; L445-L533 VanDerWaalsContact O-CD2 3.31Å; L445-L533 WeakPolarHBondContact O-CD2 3.41Å; L447-L533 HydrophobicContact CD2-CD1 3.63Å; L447-L533 HydrophobicContact CG-CB 4.22Å; L447-L533 HydrophobicContact CG-CD1 4Å; L529-L533 HydrophobicContact CB-CD2 4.43Å; L529-L533 HydrophobicContact CB-CG 4.49Å; L529-L533 HydrophobicContact CD2-CD2 3.81Å; L529-L533 HydrophobicContact CD2-CG 4.34Å; S530-L533 PolarHBondContact O-N 3.37Å; S530-L533 VanDerWaalsContact OG-CB 3.26Å; S530-L533 WeakPolarHBondContact OG-CB 3.2Å; S530-L533 PolarHBondContact OG-N 2.99Å; S530-L533 VanDerWaalsContact OG-N 3.11Å; L533-N535 VanDerWaalsContact C-N 3.32Å; L533-N535 PolarHBondContact O-N 2.98Å; L533-L536 PolarHBondContact O-N 3.23Å; L533-V537 WeakPolarHBondContact O-CG2 3.28Å; L533-V537 PolarHBondContact O-N 3.41Å
534R94.9Very high90.8Very high65 Ų6556.3 Ų56.325%0.24530%0.297CS..Hα-helixtrans-60.2-41.7174.9-179.6-91.1-94.7175.7-13.3111.8Y462 L529 S530 E531 V537 T538Y462-R534 HydrophobicContact CD1-CG 4.34Å; Y462-R534 HydrophobicContact CD2-CB 3.96Å; Y462-R534 HydrophobicContact CD2-CG 4.16Å; Y462-R534 HydrophobicContact CG-CB 4.19Å; Y462-R534 HydrophobicContact CG-CG 3.96Å; Y462-R534 PolarHBondContact OH-NH2 3.08Å; L529-R534 HydrophobicContact CB-CB 4.3Å; L529-R534 HydrophobicContact CD1-CB 4.46Å; S530-R534 WeakPolarHBondContact O-CB 3.42Å; S530-R534 PolarHBondContact O-N 2.88Å; E531-R534 PolarHBondContact O-N 3.2Å; R534-V537 PolarHBondContact O-N 2.96Å; R534-T538 PolarHBondContact O-OG1 3.25Å; R534-T538 PolarHBondContact O-N 3.38Å; R534-T538 WeakPolarHBondContact O-CB 3.44Å
535N94.2Very high88.9Confident65 Ų6558 Ų5835%0.34830%0.298SS..Hα-helixtrans-64.3-45178.3-70.5-16.3000111.3E531 K532 L533 V537 T538 E539E531-N535 PolarHBondContact O-ND2 3.34Å; E531-N535 PolarHBondContact O-N 3.15Å; E531-N535 WeakPolarHBondContact O-CB 3.46Å; K532-N535 PolarHBondContact O-N 3.24Å; L533-N535 VanDerWaalsContact C-N 3.32Å; L533-N535 PolarHBondContact O-N 2.98Å; N535-V537 PolarHBondContact O-N 3.46Å; N535-T538 PolarHBondContact O-N 3.41Å; N535-E539 WeakPolarHBondContact O-CB 3.35Å; N535-E539 PolarHBondContact O-N 3.23Å
536L94.2Very high86.7Confident31 Ų3160.8 Ų60.816%0.16232%0.321CS..Hα-helixtrans-57.9-45.6174.8176.866.1000112.2P411 A425 L447 K532 L533 T538 E539 L540P411-L536 HydrophobicContact CB-CD1 4.38Å; P411-L536 HydrophobicContact CB-CD2 4.1Å; P411-L536 HydrophobicContact CG-CD1 4.29Å; P411-L536 HydrophobicContact CG-CD2 4.1Å; A425-L536 HydrophobicContact CB-CD2 4.34Å; L447-L536 HydrophobicContact CD2-CD2 3.7Å; K532-L536 PolarHBondContact O-N 2.91Å; L533-L536 PolarHBondContact O-N 3.23Å; L536-T538 VanDerWaalsContact C-N 3.34Å; L536-T538 PolarHBondContact O-N 3.47Å; L536-E539 PolarHBondContact O-N 3.42Å; L536-L540 PolarHBondContact O-N 2.97Å; L536-L540 WeakPolarHBondContact O-CG 3.36Å; L536-L540 HydrophobicContact CG-CD1 4.1Å; L536-L540 HydrophobicContact CD1-CG 4.27Å; L536-L540 HydrophobicContact CD1-CD1 3.99Å
537V92.3Very high84.4Confident16 Ų1664.3 Ų64.310%0.09734%0.338CS..Hα-helixtrans-61.4-45.1178.2170.20000110.7M413 V424 L533 R534 N535 E539 L540 Q541M413-V537 HydrophobicContact CE-CG1 4.08Å; M413-V537 HydrophobicContact SD-CG1 4.22Å; V424-V537 HydrophobicContact CG1-CG2 3.88Å; L533-V537 WeakPolarHBondContact O-CG2 3.28Å; L533-V537 PolarHBondContact O-N 3.41Å; R534-V537 PolarHBondContact O-N 2.96Å; N535-V537 PolarHBondContact O-N 3.46Å; V537-E539 PolarHBondContact O-N 3.16Å; V537-L540 PolarHBondContact O-N 3Å; V537-Q541 HydrophobicContact CG1-CG 4.49Å; V537-Q541 WeakPolarHBondContact O-CB 3.46Å; V537-Q541 VanDerWaalsContact O-CG 3.26Å; V537-Q541 WeakPolarHBondContact O-CG 3.44Å; V537-Q541 PolarHBondContact O-N 3.26Å
538T90.5Very high82Confident35 Ų3568.2 Ų68.222%0.21537%0.365CS..Hα-helixtrans-64.3-40.8179.8-56.60000111.6R534 N535 L536 Q541 K542R534-T538 PolarHBondContact O-OG1 3.25Å; R534-T538 PolarHBondContact O-N 3.38Å; R534-T538 WeakPolarHBondContact O-CB 3.44Å; N535-T538 PolarHBondContact O-N 3.41Å; L536-T538 VanDerWaalsContact C-N 3.34Å; L536-T538 PolarHBondContact O-N 3.47Å; T538-Q541 PolarHBondContact O-N 3.37Å; T538-K542 PolarHBondContact O-N 3.49Å; T538-K542 HydrophobicContact CG2-CD 4.3Å; T538-K542 WeakPolarHBondContact O-CG 3.46Å
539E91.2Very high79.6Confident138 Ų13873.6 Ų73.665%0.64539%0.394SS*.Hα-helixtrans-62.5-49177.4-173.8-176.7167.200111.4N535 L536 V537 Q541 K542 G543N535-E539 WeakPolarHBondContact O-CB 3.35Å; N535-E539 PolarHBondContact O-N 3.23Å; L536-E539 PolarHBondContact O-N 3.42Å; V537-E539 PolarHBondContact O-N 3.16Å; E539-Q541 VanDerWaalsContact C-N 3.33Å; E539-Q541 PolarHBondContact O-N 2.86Å; E539-K542 PolarHBondContact O-N 3.15Å; E539-G543 PolarHBondContact O-N 3.31Å
540L88.9Confident77.9Confident55 Ų5581 Ų8129%0.28843%0.426SS..Hα-helixtrans-66.1-34.2179.3-70.4172.3000112.9P411 M413 A425 L536 V537 S544P411-L540 HydrophobicContact CB-CD1 4.23Å; M413-L540 HydrophobicContact CB-CD1 4.3Å; M413-L540 HydrophobicContact SD-CB 4.41Å; A425-L540 HydrophobicContact CB-CD1 3.34Å; L536-L540 PolarHBondContact O-N 2.97Å; L536-L540 WeakPolarHBondContact O-CG 3.36Å; L536-L540 HydrophobicContact CG-CD1 4.1Å; L536-L540 HydrophobicContact CD1-CG 4.27Å; L536-L540 HydrophobicContact CD1-CD1 3.99Å; V537-L540 PolarHBondContact O-N 3Å; L540-S544 PolarHBondContact O-N 2.99Å
541Q86.3Confident75.8Confident83 Ų8387.4 Ų87.439%0.38846%0.459SS..Hα-helixtrans-65.9-39.3173.1-75.8173.1-23.800112.1M413 V537 T538 E539M413-Q541 HydrophobicContact CE-CG 3.73Å; M413-Q541 HydrophobicContact SD-CG 4.17Å; V537-Q541 HydrophobicContact CG1-CG 4.49Å; V537-Q541 WeakPolarHBondContact O-CB 3.46Å; V537-Q541 VanDerWaalsContact O-CG 3.26Å; V537-Q541 WeakPolarHBondContact O-CG 3.44Å; V537-Q541 PolarHBondContact O-N 3.26Å; T538-Q541 PolarHBondContact O-N 3.37Å; E539-Q541 VanDerWaalsContact C-N 3.33Å; E539-Q541 PolarHBondContact O-N 2.86Å
542K82.8Confident74Confident141 Ų14188.8 Ų88.861%0.61347%0.469SS*.Hα-helixtrans-71.2-46.2177.1-74.3176.4179.8-179.40112.2T538 E539 S544 N545 S546T538-K542 PolarHBondContact O-N 3.49Å; T538-K542 HydrophobicContact CG2-CD 4.3Å; T538-K542 WeakPolarHBondContact O-CG 3.46Å; E539-K542 PolarHBondContact O-N 3.15Å; K542-S544 PolarHBondContact O-N 3.32Å; K542-N545 WeakPolarHBondContact O-CA 3.41Å; K542-N545 WeakPolarHBondContact O-CB 3.35Å; K542-N545 PolarHBondContact O-N 3.36Å; K542-S546 VanDerWaalsContact O-N 3.16Å; K542-S546 PolarHBondContact O-OG 3.17Å; K542-S546 PolarHBondContact O-N 3.1Å
543G67.8Low71.7Confident29 Ų2986.5 Ų86.530%0.29947%0.474SS..Hα-helixtrans-60.7-31.6-179.400000113.4E539 N545 S546 D547E539-G543 PolarHBondContact O-N 3.31Å; G543-N545 PolarHBondContact O-N 3.46Å; G543-S546 PolarHBondContact O-N 3.22Å; G543-D547 PolarHBondContact O-N 3.13Å
544S58.4Low69.2Low76 Ų7697.8 Ų97.853%0.53153%0.534SS..Hα-helixtrans-66.4-21.1172.1-172.10000114I415 L540 K542I415-S544 WeakPolarHBondContact CD1-OG 3.33Å; L540-S544 PolarHBondContact O-N 2.99Å; K542-S544 PolarHBondContact O-N 3.32Å
545N53.2Low67.9Low143 Ų14399.4 Ų99.477%0.76555%0.548SS*.Hα-helixtrans-99.1-17.5179.6-74.4-11.9000113.1K542 G543K542-N545 WeakPolarHBondContact O-CA 3.41Å; K542-N545 WeakPolarHBondContact O-CB 3.35Å; K542-N545 PolarHBondContact O-N 3.36Å; G543-N545 PolarHBondContact O-N 3.46Å
546S51Low66.5Low81 Ų81101.2 Ų101.257%0.56656%0.559SS**Hα-helixtrans-106.8-21.6-172.862.40000115.9K542 G543K542-S546 VanDerWaalsContact O-N 3.16Å; K542-S546 PolarHBondContact O-OG 3.17Å; K542-S546 PolarHBondContact O-N 3.1Å; G543-S546 PolarHBondContact O-N 3.22Å
547D48.4Very low65Low131 Ų131105.1 Ų105.170%0.70158%0.581SS**  trans-107.637.9-167.6-70.81.2000114.6G543 N549G543-D547 PolarHBondContact O-N 3.13Å; D547-N549 PolarHBondContact O-N 3.32Å
548S46.5Very low63.3Low95 Ų95110.4 Ų110.466%0.66461%0.609SS**  trans-95.953.6178.368.40000113.4
549N48.3Very low61.7Low113 Ų113115.1 Ų115.160%0.60463%0.634SS**  trans-120.324.8162.9-94.6-9.4000112.8D547 L551 L552D547-N549 PolarHBondContact O-N 3.32Å; N549-L551 PolarHBondContact O-N 2.91Å; N549-L552 HydrophobicContact CB-CD1 4.37Å; N549-L552 PolarHBondContact O-N 3.32Å; N549-L552 WeakPolarHBondContact OD1-CD1 3.01Å
550F62.2Low59.7Low168 Ų168113.5 Ų113.574%0.73763%0.633SS**G310 helixtrans-57.9-28.3166.3131.5-96.6000112L552 A553F550-L552 PolarHBondContact O-N 2.93Å; F550-A553 PolarHBondContact O-N 2.9Å
551L53.1Low57.6Low144 Ų144117.7 Ų117.775%0.75466%0.658SS**G310 helixtrans-67.6-11.2175.8-71.1169.1000114N549N549-L551 PolarHBondContact O-N 2.91Å
552L56.6Low55.4Low131 Ų131120.4 Ų120.469%0.68668%0.678SS**G310 helixtrans-108.60.8178.1-64.8176.3000113.1N549 F550 N554N549-L552 HydrophobicContact CB-CD1 4.37Å; N549-L552 PolarHBondContact O-N 3.32Å; N549-L552 WeakPolarHBondContact OD1-CD1 3.01Å; F550-L552 PolarHBondContact O-N 2.93Å; L552-N554 PolarHBondContact O-N 2.86Å
553A49.4Very low53.1Low77 Ų77118.7 Ų118.764%0.63668%0.684SS**  trans-90.298.3174.300000108.9F550F550-A553 PolarHBondContact O-N 2.9Å
554N42.3Very low51.8Low236 Ų236126.8 Ų126.8100%1.26272%0.719SS**  trans-75.10169.8-81.4-19.7000111.7L552L552-N554 PolarHBondContact O-N 2.86Å

Retrieved 554 of 554 residues in 889.8 ms (Link to these results)

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