A0A077Z5I4_TRITR Loading...

CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5I4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 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
1M49.2Very low78.7Confident189 Ų18976.9 Ų76.993%0.93146%0.459SS*.  0177.80-84.9164.5173.500108.2T3 E17M1-T3 PolarHBondContact O-N 3Å; M1-E17 PolarHBondContact N-OE1 2.86Å
2A51Low79.8Confident77 Ų7782.4 Ų82.464%0.63648%0.484SS*.  trans-61.6124.2-174.500000111.8I4A2-I4 VanDerWaalsContact C-N 3.29Å; A2-I4 HydrophobicContact CB-CG1 4.34Å; A2-I4 PolarHBondContact O-N 3.28Å
3T61.9Low80.8Confident134 Ų13481.9 Ų81.982%0.82247%0.474SS*.  trans-69.789.9164.347.10000107.5M1 D5M1-T3 PolarHBondContact O-N 3Å; T3-D5 PolarHBondContact O-N 3.09Å
4I77.9Confident81.8Confident60 Ų6076.2 Ų76.231%0.30844%0.441SS..  trans-75.5119.4173.2-69.3177000107.4A2 F6 L24 V31A2-I4 VanDerWaalsContact C-N 3.29Å; A2-I4 HydrophobicContact CB-CG1 4.34Å; A2-I4 PolarHBondContact O-N 3.28Å; I4-F6 HydrophobicContact CG2-CD1 4.09Å; I4-F6 HydrophobicContact CG2-CE1 3.92Å; I4-F6 HydrophobicContact CG2-CZ 4.43Å; I4-L24 HydrophobicContact CD1-CD1 3.87Å; I4-L24 HydrophobicContact CD1-CD2 3.67Å; I4-L24 HydrophobicContact CD1-CG 4.44Å; I4-V31 HydrophobicContact CG2-CG2 4.48Å
5D83.5Confident82.6Confident125 Ų12577.3 Ų77.367%0.66845%0.445SS*.  trans-82120.7166.3179.77.3000109.1T3 G7T3-D5 PolarHBondContact O-N 3.09Å; D5-G7 VanDerWaalsContact C-N 3.25Å; D5-G7 PolarHBondContact O-N 2.67Å; D5-G7 PolarHBondContact OD1-N 3.16Å
6F88.1Confident83.3Confident4 Ų475.7 Ų75.72%0.01844%0.437CS..  trans-79.5-5.1177.1-65.7-63000113.2I4 I8 I20 W23 L24 V31 I34 R35 L38I4-F6 HydrophobicContact CG2-CD1 4.09Å; I4-F6 HydrophobicContact CG2-CE1 3.92Å; I4-F6 HydrophobicContact CG2-CZ 4.43Å; F6-I8 VanDerWaalsContact C-N 3.28Å; F6-I8 HydrophobicContact CB-CB 4.46Å; F6-I8 HydrophobicContact CB-CD1 4.04Å; F6-I8 HydrophobicContact CB-CG1 4.28Å; F6-I20 HydrophobicContact CD2-CD1 3.99Å; F6-I20 HydrophobicContact CE2-CD1 3.64Å; F6-I20 HydrophobicContact CE2-CG2 3.94Å; F6-I20 HydrophobicContact CZ-CG2 4.23Å; F6-W23 HydrophobicContact CE2-CB 4.41Å; F6-W23 HydrophobicContact CZ-CB 4.22Å; F6-L24 HydrophobicContact CE1-CD2 3.97Å; F6-L24 HydrophobicContact CZ-CD2 3.87Å; F6-L24 HydrophobicContact CZ-CG 4.13Å; F6-V31 HydrophobicContact CD1-CG1 4.21Å; F6-I34 HydrophobicContact CD1-CG2 3.85Å; F6-I34 HydrophobicContact CE1-CB 4.19Å; F6-I34 HydrophobicContact CE1-CD1 4Å; F6-I34 HydrophobicContact CE1-CG2 3.58Å; F6-I34 HydrophobicContact CE2-CG2 4.45Å; F6-I34 HydrophobicContact CG-CG2 4.42Å; F6-I34 HydrophobicContact CZ-CD1 4.36Å; F6-I34 HydrophobicContact CZ-CG2 3.91Å; F6-R35 WeakPolarHBondContact O-CG 3.48Å; F6-R35 PolarHBondContact O-NE 3.23Å; F6-L38 HydrophobicContact CB-CD2 4.18Å; F6-L38 HydrophobicContact CD2-CD2 3.48Å; F6-L38 VanDerWaalsContact CD2-CD2 3.48Å; F6-L38 HydrophobicContact CE2-CD2 4Å; F6-L38 HydrophobicContact CG-CD2 3.92Å
7G89.2Confident83.9Confident50 Ų5077.9 Ų77.952%0.51544%0.442SS..SBendtrans67.932.5-171.100000111.7D5 R39D5-G7 VanDerWaalsContact C-N 3.25Å; D5-G7 PolarHBondContact O-N 2.67Å; D5-G7 PolarHBondContact OD1-N 3.16Å; G7-R39 PolarHBondContact O-NH2 2.96Å
8I89.4Confident84.5Confident16 Ų1675.9 Ų75.98%0.08243%0.43CS..SBendtrans-131.4126.9-179-60.3167.2000106.3F6 L10 R35 L38 R39 V42F6-I8 VanDerWaalsContact C-N 3.28Å; F6-I8 HydrophobicContact CB-CB 4.46Å; F6-I8 HydrophobicContact CB-CD1 4.04Å; F6-I8 HydrophobicContact CB-CG1 4.28Å; I8-L10 HydrophobicContact CG2-CD2 3.95Å; I8-L10 HydrophobicContact CG2-CG 4.44Å; I8-L10 PolarHBondContact O-N 3.21Å; I8-L10 VanDerWaalsContact O-N 3.09Å; I8-R35 VanDerWaalsContact CD1-O 3.31Å; I8-R35 WeakPolarHBondContact CD1-O 3.49Å; I8-L38 HydrophobicContact CD1-CB 3.82Å; I8-L38 HydrophobicContact CD1-CD2 3.94Å; I8-L38 HydrophobicContact CD1-CG 3.76Å; I8-R39 HydrophobicContact CD1-CB 4.06Å; I8-R39 HydrophobicContact CG1-CB 4.46Å; I8-V42 HydrophobicContact CG2-CG2 4.44Å
9D89.8Confident85Confident139 Ų13972.1 Ų72.174%0.74341%0.408SS*.  trans-70.1104.3173.6-173.927.5000109.1
10L93Very high85.5Confident14 Ų1469.1 Ų69.17%0.07339%0.39CS..  trans-100.5131.2179.9-66.5179.2000109.5I8 L14 N15 I20 L38 V42I8-L10 HydrophobicContact CG2-CD2 3.95Å; I8-L10 HydrophobicContact CG2-CG 4.44Å; I8-L10 PolarHBondContact O-N 3.21Å; I8-L10 VanDerWaalsContact O-N 3.09Å; L10-L14 HydrophobicContact CB-CB 4.49Å; L10-N15 HydrophobicContact CB-CB 3.98Å; L10-I20 HydrophobicContact CD1-CD1 3.71Å; L10-L38 HydrophobicContact CD1-CD2 4.25Å; L10-L38 HydrophobicContact CD2-CD1 3.9Å; L10-L38 HydrophobicContact CD2-CD2 4.17Å; L10-L38 HydrophobicContact CD2-CG 4.11Å; L10-V42 HydrophobicContact CD2-CG2 3.65Å
11P92.3Very high85.8Confident38 Ų3868 Ų6825%0.24738%0.384CS..  trans-52.2148.3165.3-25.734.1000112.1E13 L14 N15P11-E13 VanDerWaalsContact CB-OE1 3.29Å; P11-E13 WeakPolarHBondContact CB-OE1 3.39Å; P11-E13 WeakPolarHBondContact CB-OE2 3.46Å; P11-E13 PolarHBondContact O-N 2.84Å; P11-E13 VanDerWaalsContact O-N 3.13Å; P11-L14 HydrophobicContact CG-CD1 4.39Å; P11-L14 CarbonylContact O-C 3.59Å; P11-L14 WeakPolarHBondContact O-CA 3.4Å; P11-L14 PolarHBondContact O-N 3.18Å; P11-N15 PolarHBondContact O-N 2.9Å
12D92.6Very high87.9Confident143 Ų14359.7 Ų59.777%0.76534%0.342SS*.THydrogen-bonded Turntrans-54-37-175.4-72.7-19.6000113L14 N15D12-L14 PolarHBondContact O-N 2.83Å; D12-N15 PolarHBondContact O-N 3.24Å
13E92.5Very high90Very high76 Ų7656.1 Ų56.136%0.35531%0.312SS..THydrogen-bonded Turntrans-66.4-25.7178.373.4-80.7-171.800113.2P11 R45 L127P11-E13 VanDerWaalsContact CB-OE1 3.29Å; P11-E13 WeakPolarHBondContact CB-OE1 3.39Å; P11-E13 WeakPolarHBondContact CB-OE2 3.46Å; P11-E13 PolarHBondContact O-N 2.84Å; P11-E13 VanDerWaalsContact O-N 3.13Å; E13-R45 IonicContact OE1-CZ 3.55Å; E13-R45 IonicContact OE1-NH1 2.75Å; E13-R45 PolarHBondContact OE1-NH1 3.18Å; E13-R45 IonicContact OE1-NH2 3.18Å; E13-R45 PolarHBondContact OE1-NH2 3Å; E13-L127 HydrophobicContact CG-CD1 4.4Å
14L94.2Very high91.4Very high2 Ų250.4 Ų50.41%0.0128%0.276CS..THydrogen-bonded Turntrans-94.5-19.2176.2-57.9-175.2000112.3L10 P11 D12 T16 N19 Y41 Y123 L127L10-L14 HydrophobicContact CB-CB 4.49Å; P11-L14 HydrophobicContact CG-CD1 4.39Å; P11-L14 CarbonylContact O-C 3.59Å; P11-L14 WeakPolarHBondContact O-CA 3.4Å; P11-L14 PolarHBondContact O-N 3.18Å; D12-L14 PolarHBondContact O-N 2.83Å; L14-T16 VanDerWaalsContact C-N 3.29Å; L14-T16 PolarHBondContact O-N 3.35Å; L14-N19 PolarHBondContact O-ND2 3.18Å; L14-Y41 HydrophobicContact CD1-CE1 3.85Å; L14-Y123 HydrophobicContact CD2-CE1 3.64Å; L14-L127 HydrophobicContact CD2-CD1 3.7Å
15N94Very high92.1Very high93 Ų9351.7 Ų51.750%0.49729%0.287SS..  trans-92.837.9-177.1-16119.9000113.3L10 P11 D12L10-N15 HydrophobicContact CB-CB 3.98Å; P11-N15 PolarHBondContact O-N 2.9Å; D12-N15 PolarHBondContact O-N 3.24Å
16T94.1Very high92.3Very high51 Ų5146.2 Ų46.231%0.31326%0.26SS..SBendtrans-93.2149.2176.467.80000111.1L14 I18 N19 I20L14-T16 VanDerWaalsContact C-N 3.29Å; L14-T16 PolarHBondContact O-N 3.35Å; T16-I18 PolarHBondContact O-N 3.32Å; T16-N19 PolarHBondContact O-N 3Å; T16-N19 VanDerWaalsContact OG1-CB 3.26Å; T16-N19 WeakPolarHBondContact OG1-CB 3.4Å; T16-N19 PolarHBondContact OG1-N 3.46Å; T16-I20 VanDerWaalsContact O-CG1 3.3Å; T16-I20 WeakPolarHBondContact O-CG1 3.49Å; T16-I20 PolarHBondContact O-N 2.96Å
17E93.5Very high92.3Very high113 Ų11348.3 Ų48.353%0.52827%0.268SS..Hα-helixtrans-54.1-39.6177.3-179.1174.4-166.100111.6M1 N21M1-E17 PolarHBondContact N-OE1 2.86Å; E17-N21 WeakPolarHBondContact O-CB 3.46Å; E17-N21 PolarHBondContact O-N 3.47Å; E17-N21 PolarHBondContact O-ND2 2.86Å
18I94.9Very high92.3Very high43 Ų4354.3 Ų54.322%0.22128%0.282CS..Hα-helixtrans-62.9-46.8178.2-59.1172.1000110.8T16 N21 R22 E130 P136T16-I18 PolarHBondContact O-N 3.32Å; I18-N21 PolarHBondContact O-N 3.04Å; I18-R22 PolarHBondContact O-N 3.46Å; I18-R22 VanDerWaalsContact O-N 3.08Å; I18-E130 HydrophobicContact CD1-CB 4.28Å; I18-E130 HydrophobicContact CD1-CG 4.49Å; I18-E130 WeakPolarHBondContact CG2-OE1 3.46Å; I18-P136 HydrophobicContact CG2-CB 4.16Å; I18-P136 HydrophobicContact CG2-CG 4.38Å
19N94.7Very high92.4Very high2 Ų257.7 Ų57.71%0.01131%0.307CS..Hα-helixtrans-71.1-39.8-178-166.953000113L14 T16 N21 R22 W23 Y123 L127L14-N19 PolarHBondContact O-ND2 3.18Å; T16-N19 PolarHBondContact O-N 3Å; T16-N19 VanDerWaalsContact OG1-CB 3.26Å; T16-N19 WeakPolarHBondContact OG1-CB 3.4Å; T16-N19 PolarHBondContact OG1-N 3.46Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-R22 VanDerWaalsContact O-CB 3.32Å; N19-R22 WeakPolarHBondContact O-CB 3.46Å; N19-R22 PolarHBondContact O-N 2.96Å; N19-W23 PolarHBondContact O-N 2.94Å; N19-Y123 PolarHBondContact ND2-OH 3.32Å; N19-Y123 PolarHBondContact OD1-OH 2.76Å; N19-L127 HydrophobicContact CB-CD2 4.49Å
20I93.9Very high92.5Very high12 Ų1253.6 Ų53.66%0.06229%0.285CS..Hα-helixtrans-58.4-41.7173-63.2-63.8000110.1F6 L10 T16 R22 W23 L24F6-I20 HydrophobicContact CD2-CD1 3.99Å; F6-I20 HydrophobicContact CE2-CD1 3.64Å; F6-I20 HydrophobicContact CE2-CG2 3.94Å; F6-I20 HydrophobicContact CZ-CG2 4.23Å; L10-I20 HydrophobicContact CD1-CD1 3.71Å; T16-I20 VanDerWaalsContact O-CG1 3.3Å; T16-I20 WeakPolarHBondContact O-CG1 3.49Å; T16-I20 PolarHBondContact O-N 2.96Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 3.39Å; I20-W23 PolarHBondContact O-N 3.15Å; I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.47Å; I20-L24 WeakPolarHBondContact O-CG 3.47Å; I20-L24 PolarHBondContact O-N 2.83Å
21N93.1Very high92.5Very high48 Ų4854.4 Ų54.426%0.25729%0.29SS..Hα-helixtrans-64.7-30.9175.5-74.4-31.2000113.4E17 I18 N19 T25E17-N21 WeakPolarHBondContact O-CB 3.46Å; E17-N21 PolarHBondContact O-N 3.47Å; E17-N21 PolarHBondContact O-ND2 2.86Å; I18-N21 PolarHBondContact O-N 3.04Å; N19-N21 PolarHBondContact O-N 3.37Å; N21-T25 VanDerWaalsContact O-CB 3.24Å; N21-T25 WeakPolarHBondContact O-CB 3.3Å; N21-T25 PolarHBondContact O-N 3.08Å; N21-T25 PolarHBondContact O-OG1 3.12Å
22R93.3Very high92.5Very high14 Ų1458.6 Ų58.65%0.05331%0.307CS..Hα-helixtrans-60.1-47.6171.5-73.4-175.1170.4119.45.9111.5I18 N19 I20 T25 G26 E130 S137 E177I18-R22 PolarHBondContact O-N 3.46Å; I18-R22 VanDerWaalsContact O-N 3.08Å; N19-R22 VanDerWaalsContact O-CB 3.32Å; N19-R22 WeakPolarHBondContact O-CB 3.46Å; N19-R22 PolarHBondContact O-N 2.96Å; I20-R22 VanDerWaalsContact C-N 3.32Å; I20-R22 PolarHBondContact O-N 3.39Å; R22-T25 PolarHBondContact O-N 3.05Å; R22-G26 PolarHBondContact O-N 2.61Å; R22-E130 IonicContact CZ-OE1 3.93Å; R22-E130 IonicContact CZ-OE2 3.81Å; R22-E130 IonicContact NH1-OE1 3.57Å; R22-E130 PolarHBondContact NH1-OE1 2.84Å; R22-E130 IonicContact NH1-OE2 2.71Å; R22-E130 PolarHBondContact NH1-OE2 2.91Å; R22-E130 VanDerWaalsContact NH2-CD 3.3Å; R22-E130 IonicContact NH2-OE1 3.91Å; R22-E130 PolarHBondContact NH2-OE1 2.91Å; R22-E130 IonicContact NH2-OE2 2.71Å; R22-S137 PolarHBondContact NH2-O 2.93Å; R22-E177 HydrophobicContact CB-CB 4.19Å; R22-E177 HydrophobicContact CG-CB 4.27Å
23W93.1Very high92.5Very high2 Ų257.4 Ų57.41%0.00829%0.294CS..Hα-helixtrans-62.8-47.4178.6-76.697.5000112.2F6 N19 I20 W27 I34 V37 L38 Y41 Y174F6-W23 HydrophobicContact CE2-CB 4.41Å; F6-W23 HydrophobicContact CZ-CB 4.22Å; N19-W23 PolarHBondContact O-N 2.94Å; I20-W23 PolarHBondContact O-N 3.15Å; W23-W27 AromaticContact CE3-CD1 3.85Å; W23-W27 AromaticContact CE3-NE1 3.77Å; W23-W27 AromaticContact CZ3-NE1 3.71Å; W23-W27 PolarHBondContact O-N 3.17Å; W23-W27 VanDerWaalsContact O-N 3.12Å; W23-I34 HydrophobicContact CB-CG2 4.25Å; W23-I34 HydrophobicContact CE3-CG2 4.06Å; W23-I34 WeakPolarHBondContact O-CD1 3.48Å; W23-V37 HydrophobicContact CH2-CG1 4.2Å; W23-V37 HydrophobicContact CZ3-CB 4.37Å; W23-V37 HydrophobicContact CZ3-CG1 3.88Å; W23-L38 HydrophobicContact CD2-CD1 4.2Å; W23-L38 HydrophobicContact CE3-CB 4.37Å; W23-L38 HydrophobicContact CH2-CB 4.38Å; W23-L38 HydrophobicContact CH2-CD1 4.21Å; W23-L38 HydrophobicContact CZ2-CD1 3.66Å; W23-L38 HydrophobicContact CZ3-CB 4.25Å; W23-Y41 HydrophobicContact CZ2-CD1 4.03Å; W23-Y41 HydrophobicContact CZ2-CG 4.38Å; W23-Y174 WeakPolarHBondContact CZ2-O 3.49Å
24L93.1Very high92.5Very high13 Ų1353.8 Ų53.87%0.06828%0.277CS..Hα-helixtrans-60.2-50.2177.1-66.6171.9000111.5I4 F6 I20 W27 Q28 C29 V31 I34I4-L24 HydrophobicContact CD1-CD1 3.87Å; I4-L24 HydrophobicContact CD1-CD2 3.67Å; I4-L24 HydrophobicContact CD1-CG 4.44Å; F6-L24 HydrophobicContact CE1-CD2 3.97Å; F6-L24 HydrophobicContact CZ-CD2 3.87Å; F6-L24 HydrophobicContact CZ-CG 4.13Å; I20-L24 HydrophobicContact CG2-CD1 4.04Å; I20-L24 HydrophobicContact CG2-CG 4.47Å; I20-L24 WeakPolarHBondContact O-CG 3.47Å; I20-L24 PolarHBondContact O-N 2.83Å; L24-W27 PolarHBondContact O-N 3.26Å; L24-Q28 PolarHBondContact O-N 2.97Å; L24-Q28 VanDerWaalsContact O-N 3.1Å; L24-C29 PolarHBondContact O-N 3.12Å; L24-V31 HydrophobicContact CD2-CG2 4.44Å; L24-I34 HydrophobicContact CD2-CD1 4.05Å
25T91.3Very high92.5Very high88 Ų8857.9 Ų57.954%0.5429%0.293SS..Hα-helixtrans-63.8-48-178.7-57.40000111N21 R22 W27 Q28 E177N21-T25 VanDerWaalsContact O-CB 3.24Å; N21-T25 WeakPolarHBondContact O-CB 3.3Å; N21-T25 PolarHBondContact O-N 3.08Å; N21-T25 PolarHBondContact O-OG1 3.12Å; R22-T25 PolarHBondContact O-N 3.05Å; T25-W27 VanDerWaalsContact C-N 3.28Å; T25-W27 PolarHBondContact O-N 3.37Å; T25-Q28 PolarHBondContact O-N 3.31Å; T25-E177 HydrophobicContact CG2-CG 3.96Å
26G87.7Confident92.5Very high9 Ų957.2 Ų57.29%0.09329%0.293CS..Hα-helixtrans-59.4-40.3-176.900000112.6R22 R205R22-G26 PolarHBondContact O-N 2.61Å; G26-R205 PolarHBondContact O-NH1 3.22Å
27W88.5Confident92.5Very high48 Ų4856.1 Ų56.118%0.18229%0.287CS..THydrogen-bonded Turntrans-100.920.2-177.8-68.690.9000113.1W23 L24 T25 C29 D30 K33 I34 V37W23-W27 AromaticContact CE3-CD1 3.85Å; W23-W27 AromaticContact CE3-NE1 3.77Å; W23-W27 AromaticContact CZ3-NE1 3.71Å; W23-W27 PolarHBondContact O-N 3.17Å; W23-W27 VanDerWaalsContact O-N 3.12Å; L24-W27 PolarHBondContact O-N 3.26Å; T25-W27 VanDerWaalsContact C-N 3.28Å; T25-W27 PolarHBondContact O-N 3.37Å; W27-C29 PolarHBondContact O-N 3.21Å; W27-D30 WeakPolarHBondContact O-CB 2.94Å; W27-D30 PolarHBondContact O-N 3.22Å; W27-K33 HydrophobicContact CE3-CB 3.96Å; W27-K33 HydrophobicContact CE3-CD 4.37Å; W27-K33 HydrophobicContact CZ3-CB 4.32Å; W27-K33 HydrophobicContact CZ3-CD 4.42Å; W27-I34 HydrophobicContact CB-CD1 3.86Å; W27-I34 HydrophobicContact CB-CG1 3.39Å; W27-I34 HydrophobicContact CG-CG1 3.73Å; W27-V37 HydrophobicContact CH2-CG2 3.94Å; W27-V37 HydrophobicContact CZ2-CB 4.29Å; W27-V37 HydrophobicContact CZ2-CG1 3.94Å; W27-V37 HydrophobicContact CZ2-CG2 3.92Å
28Q89.9Confident92.5Very high176 Ų17650.9 Ų50.982%0.82226%0.262SS*.THydrogen-bonded Turntrans5538.1175.2-55175.24.700113.3L24 T25 D30L24-Q28 PolarHBondContact O-N 2.97Å; L24-Q28 VanDerWaalsContact O-N 3.1Å; T25-Q28 PolarHBondContact O-N 3.31Å; Q28-D30 PolarHBondContact O-N 3.06Å; Q28-D30 VanDerWaalsContact O-N 3.14Å
29C90.5Very high92.5Very high88 Ų8853.8 Ų53.860%0.59527%0.271SS*.THydrogen-bonded Turntrans58.618.2-175.7-57.40000114.4L24 W27 V31L24-C29 PolarHBondContact O-N 3.12Å; W27-C29 PolarHBondContact O-N 3.21Å; C29-V31 VanDerWaalsContact C-N 3.3Å; C29-V31 PolarHBondContact O-N 2.81Å
30D92.2Very high92.5Very high53 Ų5355.2 Ų55.228%0.28328%0.281SS..  trans-77.579.6175.2-168.5-22.4000110.2W27 Q28 E32 K33 I34W27-D30 WeakPolarHBondContact O-CB 2.94Å; W27-D30 PolarHBondContact O-N 3.22Å; Q28-D30 PolarHBondContact O-N 3.06Å; Q28-D30 VanDerWaalsContact O-N 3.14Å; D30-E32 PolarHBondContact O-N 2.84Å; D30-E32 PolarHBondContact OD1-N 3.27Å; D30-K33 HydrophobicContact CB-CB 4.27Å; D30-K33 HydrophobicContact CB-CG 4.49Å; D30-K33 PolarHBondContact O-N 3.19Å; D30-K33 PolarHBondContact OD1-N 2.92Å; D30-K33 VanDerWaalsContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CD 3.35Å; D30-K33 VanDerWaalsContact OD2-CE 3.26Å; D30-K33 WeakPolarHBondContact OD2-CE 3.5Å; D30-K33 WeakPolarHBondContact OD2-CG 3.32Å; D30-K33 IonicContact OD2-NZ 3.27Å; D30-K33 PolarHBondContact OD2-NZ 3.38Å; D30-I34 WeakPolarHBondContact O-CG1 3.43Å; D30-I34 PolarHBondContact O-N 3Å
31V92.2Very high92.7Very high30 Ų3054.7 Ų54.718%0.18228%0.278CS..Hα-helixtrans-55.6-35.5-177.4177.70000112.1I4 F6 L24 C29 K33 I34 R35I4-V31 HydrophobicContact CG2-CG2 4.48Å; F6-V31 HydrophobicContact CD1-CG1 4.21Å; L24-V31 HydrophobicContact CD2-CG2 4.44Å; C29-V31 VanDerWaalsContact C-N 3.3Å; C29-V31 PolarHBondContact O-N 2.81Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.15Å; V31-I34 PolarHBondContact O-N 3.2Å; V31-R35 HydrophobicContact CG1-CG 4.33Å; V31-R35 WeakPolarHBondContact O-CG 3.42Å; V31-R35 PolarHBondContact O-N 2.89Å
32E93.3Very high92.8Very high127 Ų12753 Ų5359%0.59327%0.269SS*.Hα-helixtrans-67.4-31.9179.5-62.5-53.6140.900112.4D30 R35 P36D30-E32 PolarHBondContact O-N 2.84Å; D30-E32 PolarHBondContact OD1-N 3.27Å; E32-R35 IonicContact OE1-CZ 3.33Å; E32-R35 IonicContact OE1-NH1 3.45Å; E32-R35 PolarHBondContact OE1-NH1 3.27Å; E32-R35 IonicContact OE1-NH2 3.57Å; E32-R35 IonicContact OE2-NH1 2.83Å; E32-R35 PolarHBondContact OE2-NH1 3.45Å; E32-R35 VanDerWaalsContact OE2-NH1 3.1Å; E32-P36 WeakPolarHBondContact O-CD 3.17Å
33K91.6Very high92.9Very high117 Ų11756.3 Ų56.351%0.50929%0.285SS..Hα-helixtrans-79.4-34.6170.3-70.6-172.5-172.6121.90113.3W27 D30 V31 P36 V37W27-K33 HydrophobicContact CE3-CB 3.96Å; W27-K33 HydrophobicContact CE3-CD 4.37Å; W27-K33 HydrophobicContact CZ3-CB 4.32Å; W27-K33 HydrophobicContact CZ3-CD 4.42Å; D30-K33 HydrophobicContact CB-CB 4.27Å; D30-K33 HydrophobicContact CB-CG 4.49Å; D30-K33 PolarHBondContact O-N 3.19Å; D30-K33 PolarHBondContact OD1-N 2.92Å; D30-K33 VanDerWaalsContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CD 3.35Å; D30-K33 VanDerWaalsContact OD2-CE 3.26Å; D30-K33 WeakPolarHBondContact OD2-CE 3.5Å; D30-K33 WeakPolarHBondContact OD2-CG 3.32Å; D30-K33 IonicContact OD2-NZ 3.27Å; D30-K33 PolarHBondContact OD2-NZ 3.38Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.15Å; K33-P36 WeakPolarHBondContact O-CD 3.39Å; K33-P36 WeakPolarHBondContact O-CG 3.38Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å
34I93.6Very high93.1Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-62.6-48.7179.7-67.6165.2000110.6F6 W23 L24 W27 D30 V31 V37 L38F6-I34 HydrophobicContact CD1-CG2 3.85Å; F6-I34 HydrophobicContact CE1-CB 4.19Å; F6-I34 HydrophobicContact CE1-CD1 4Å; F6-I34 HydrophobicContact CE1-CG2 3.58Å; F6-I34 HydrophobicContact CE2-CG2 4.45Å; F6-I34 HydrophobicContact CG-CG2 4.42Å; F6-I34 HydrophobicContact CZ-CD1 4.36Å; F6-I34 HydrophobicContact CZ-CG2 3.91Å; W23-I34 HydrophobicContact CB-CG2 4.25Å; W23-I34 HydrophobicContact CE3-CG2 4.06Å; W23-I34 WeakPolarHBondContact O-CD1 3.48Å; L24-I34 HydrophobicContact CD2-CD1 4.05Å; W27-I34 HydrophobicContact CB-CD1 3.86Å; W27-I34 HydrophobicContact CB-CG1 3.39Å; W27-I34 HydrophobicContact CG-CG1 3.73Å; D30-I34 WeakPolarHBondContact O-CG1 3.43Å; D30-I34 PolarHBondContact O-N 3Å; V31-I34 PolarHBondContact O-N 3.2Å; I34-V37 PolarHBondContact O-N 3.07Å; I34-V37 VanDerWaalsContact O-N 3.14Å; I34-L38 HydrophobicContact CG2-CB 4.2Å; I34-L38 HydrophobicContact CG2-CD2 4.27Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 PolarHBondContact O-N 3.4Å
35R94.3Very high93.3Very high88 Ų8856 Ų5633%0.33228%0.284SS..Hα-helixtrans-50.1-55.5-173.9-75.4-177.9-171.2137.65114.3F6 I8 V31 E32 V37 R39F6-R35 WeakPolarHBondContact O-CG 3.48Å; F6-R35 PolarHBondContact O-NE 3.23Å; I8-R35 VanDerWaalsContact CD1-O 3.31Å; I8-R35 WeakPolarHBondContact CD1-O 3.49Å; V31-R35 HydrophobicContact CG1-CG 4.33Å; V31-R35 WeakPolarHBondContact O-CG 3.42Å; V31-R35 PolarHBondContact O-N 2.89Å; E32-R35 IonicContact OE1-CZ 3.33Å; E32-R35 IonicContact OE1-NH1 3.45Å; E32-R35 PolarHBondContact OE1-NH1 3.27Å; E32-R35 IonicContact OE1-NH2 3.57Å; E32-R35 IonicContact OE2-NH1 2.83Å; E32-R35 PolarHBondContact OE2-NH1 3.45Å; E32-R35 VanDerWaalsContact OE2-NH1 3.1Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 3.41Å; R35-R39 VanDerWaalsContact O-CB 3.26Å; R35-R39 WeakPolarHBondContact O-CB 3.45Å; R35-R39 PolarHBondContact O-N 3.31Å
36P93.5Very high93.5Very high79 Ų7958.4 Ų58.451%0.51328%0.283SS..Hα-helixtrans-65.6-35.6-179.124.7-34.2000112.9E32 K33 S40E32-P36 WeakPolarHBondContact O-CD 3.17Å; K33-P36 WeakPolarHBondContact O-CD 3.39Å; K33-P36 WeakPolarHBondContact O-CG 3.38Å; P36-S40 WeakPolarHBondContact O-CB 3.46Å; P36-S40 PolarHBondContact O-N 3.05Å
37V93.5Very high94Very high29 Ų2959.1 Ų59.118%0.17629%0.287CS..Hα-helixtrans-71.2-46.6-179.8-178.90000110.9W23 W27 K33 I34 R35 R39 S40 Y41 D173 Y174W23-V37 HydrophobicContact CH2-CG1 4.2Å; W23-V37 HydrophobicContact CZ3-CB 4.37Å; W23-V37 HydrophobicContact CZ3-CG1 3.88Å; W27-V37 HydrophobicContact CH2-CG2 3.94Å; W27-V37 HydrophobicContact CZ2-CB 4.29Å; W27-V37 HydrophobicContact CZ2-CG1 3.94Å; W27-V37 HydrophobicContact CZ2-CG2 3.92Å; K33-V37 WeakPolarHBondContact O-CG2 3.45Å; I34-V37 PolarHBondContact O-N 3.07Å; I34-V37 VanDerWaalsContact O-N 3.14Å; R35-V37 VanDerWaalsContact C-N 3.34Å; R35-V37 PolarHBondContact O-N 3.41Å; V37-R39 PolarHBondContact O-N 3.19Å; V37-S40 WeakPolarHBondContact O-CB 3.48Å; V37-S40 PolarHBondContact O-N 3.28Å; V37-Y41 PolarHBondContact O-N 2.96Å; V37-D173 HydrophobicContact CG1-CB 4.41Å; V37-Y174 HydrophobicContact CG1-CD1 4.32Å; V37-Y174 HydrophobicContact CG1-CE1 4.45Å
38L95Very high94.4Very high2 Ų257.7 Ų57.71%0.0129%0.286CS..Hα-helixtrans-63.9-41.2177.9178.354.7000111.5F6 I8 L10 W23 I34 Y41 V42F6-L38 HydrophobicContact CB-CD2 4.18Å; F6-L38 HydrophobicContact CD2-CD2 3.48Å; F6-L38 VanDerWaalsContact CD2-CD2 3.48Å; F6-L38 HydrophobicContact CE2-CD2 4Å; F6-L38 HydrophobicContact CG-CD2 3.92Å; I8-L38 HydrophobicContact CD1-CB 3.82Å; I8-L38 HydrophobicContact CD1-CD2 3.94Å; I8-L38 HydrophobicContact CD1-CG 3.76Å; L10-L38 HydrophobicContact CD1-CD2 4.25Å; L10-L38 HydrophobicContact CD2-CD1 3.9Å; L10-L38 HydrophobicContact CD2-CD2 4.17Å; L10-L38 HydrophobicContact CD2-CG 4.11Å; W23-L38 HydrophobicContact CD2-CD1 4.2Å; W23-L38 HydrophobicContact CE3-CB 4.37Å; W23-L38 HydrophobicContact CH2-CB 4.38Å; W23-L38 HydrophobicContact CH2-CD1 4.21Å; W23-L38 HydrophobicContact CZ2-CD1 3.66Å; W23-L38 HydrophobicContact CZ3-CB 4.25Å; I34-L38 HydrophobicContact CG2-CB 4.2Å; I34-L38 HydrophobicContact CG2-CD2 4.27Å; I34-L38 WeakPolarHBondContact O-CB 3.42Å; I34-L38 PolarHBondContact O-N 3.4Å; L38-Y41 HydrophobicContact CD1-CD1 4.12Å; L38-Y41 WeakPolarHBondContact O-CB 3.39Å; L38-Y41 PolarHBondContact O-N 3.23Å; L38-V42 HydrophobicContact CD1-CG2 4.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.34Å
39R94.7Very high94.6Very high105 Ų10551 Ų5140%0.39626%0.264SS..Hα-helixtrans-60.5-47.6173.6-175.6179.1-54.4-74.7-5.3110.8G7 I8 R35 V37 Y41 V42 E43G7-R39 PolarHBondContact O-NH2 2.96Å; I8-R39 HydrophobicContact CD1-CB 4.06Å; I8-R39 HydrophobicContact CG1-CB 4.46Å; R35-R39 VanDerWaalsContact O-CB 3.26Å; R35-R39 WeakPolarHBondContact O-CB 3.45Å; R35-R39 PolarHBondContact O-N 3.31Å; V37-R39 PolarHBondContact O-N 3.19Å; R39-Y41 VanDerWaalsContact C-N 3.3Å; R39-Y41 PolarHBondContact O-N 2.84Å; R39-V42 PolarHBondContact O-N 2.78Å; R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.27Å; R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.44Å; R39-E43 PolarHBondContact O-N 2.78Å
40S95Very high94.9Very high32 Ų3246.8 Ų46.822%0.22424%0.236CC..Hα-helixtrans-59.8-40.3176.3179.90000112.2P36 V37 N44 Y174P36-S40 WeakPolarHBondContact O-CB 3.46Å; P36-S40 PolarHBondContact O-N 3.05Å; V37-S40 WeakPolarHBondContact O-CB 3.48Å; V37-S40 PolarHBondContact O-N 3.28Å; S40-N44 WeakPolarHBondContact O-CB 3.23Å; S40-N44 VanDerWaalsContact O-CG 3.24Å; S40-N44 PolarHBondContact O-N 3.2Å; S40-N44 PolarHBondContact O-ND2 3.03Å; S40-N44 PolarHBondContact OG-ND2 2.94Å; S40-Y174 PolarHBondContact OG-OH 3.43Å
41Y96.2Very high95.1Very high1 Ų147 Ų470%0.00424%0.237CC..Hα-helixtrans-61.1-52.3176.1167.2-114.6000111.4L14 W23 V37 L38 R39 E43 N44 R45 F116 E120 Y123 Y174 Y175L14-Y41 HydrophobicContact CD1-CE1 3.85Å; W23-Y41 HydrophobicContact CZ2-CD1 4.03Å; W23-Y41 HydrophobicContact CZ2-CG 4.38Å; V37-Y41 PolarHBondContact O-N 2.96Å; L38-Y41 HydrophobicContact CD1-CD1 4.12Å; L38-Y41 WeakPolarHBondContact O-CB 3.39Å; L38-Y41 PolarHBondContact O-N 3.23Å; R39-Y41 VanDerWaalsContact C-N 3.3Å; R39-Y41 PolarHBondContact O-N 2.84Å; Y41-E43 PolarHBondContact O-N 2.87Å; Y41-N44 PolarHBondContact O-N 3.2Å; Y41-R45 HydrophobicContact CE2-CB 4.37Å; Y41-R45 VanDerWaalsContact O-CB 3.25Å; Y41-R45 WeakPolarHBondContact O-CB 3.44Å; Y41-R45 PolarHBondContact O-N 2.82Å; Y41-F116 HydrophobicContact CD2-CE2 4.5Å; Y41-F116 HydrophobicContact CE2-CE2 4.26Å; Y41-E120 PolarHBondContact OH-OE2 2.82Å; Y41-Y123 WeakPolarHBondContact OH-CD1 3.32Å; Y41-Y123 VanDerWaalsContact OH-CE1 3.23Å; Y41-Y123 WeakPolarHBondContact OH-CE1 3.21Å; Y41-Y174 HydrophobicContact CD2-CD1 4.2Å; Y41-Y174 AromaticContact CD2-CD2 3.64Å; Y41-Y174 HydrophobicContact CD2-CD2 3.64Å; Y41-Y174 HydrophobicContact CD2-CE2 4.28Å; Y41-Y174 AromaticContact CD2-CG 3.59Å; Y41-Y174 HydrophobicContact CD2-CG 3.59Å; Y41-Y174 HydrophobicContact CE2-CD2 4.47Å; Y41-Y174 HydrophobicContact CG-CD1 4.35Å; Y41-Y174 HydrophobicContact CG-CG 4.17Å; Y41-Y175 HydrophobicContact CE2-CE1 4.26Å
42V96.1Very high95.2Very high12 Ų1247.2 Ų47.27%0.07324%0.237CC..Hα-helixtrans-61.8-44.8-178.2174.10000111.5I8 L10 L38 R39 R45 R46I8-V42 HydrophobicContact CG2-CG2 4.44Å; L10-V42 HydrophobicContact CD2-CG2 3.65Å; L38-V42 HydrophobicContact CD1-CG2 4.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.32Å; L38-V42 PolarHBondContact O-N 3.34Å; R39-V42 PolarHBondContact O-N 2.78Å; V42-R45 PolarHBondContact O-N 2.79Å; V42-R46 PolarHBondContact O-N 2.93Å; V42-R46 VanDerWaalsContact O-N 3.09Å
43E95.5Very high95.3Very high84 Ų8447 Ų4739%0.39325%0.246SC..Hα-helixtrans-62.1-44.2177.1-71.8171.8-179.200111.7R39 Y41 R46 A47 L320R39-E43 HydrophobicContact CG-CG 4.47Å; R39-E43 WeakPolarHBondContact CG-OE1 3.27Å; R39-E43 WeakPolarHBondContact O-CB 3.45Å; R39-E43 WeakPolarHBondContact O-CG 3.44Å; R39-E43 PolarHBondContact O-N 2.78Å; Y41-E43 PolarHBondContact O-N 2.87Å; E43-R46 PolarHBondContact O-N 2.82Å; E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 3.24Å; E43-L320 HydrophobicContact CB-CD2 4.06Å
44N97.4Very high95.5Very high1 Ų145.5 Ų45.51%0.00524%0.241CC..Hα-helixtrans-72.1-35.7179.8-77.7-28.9000113.1S40 Y41 R46 A47 A48 F116 Y174 L320 P323 R324S40-N44 WeakPolarHBondContact O-CB 3.23Å; S40-N44 VanDerWaalsContact O-CG 3.24Å; S40-N44 PolarHBondContact O-N 3.2Å; S40-N44 PolarHBondContact O-ND2 3.03Å; S40-N44 PolarHBondContact OG-ND2 2.94Å; Y41-N44 PolarHBondContact O-N 3.2Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-A47 PolarHBondContact O-N 2.98Å; N44-A48 WeakPolarHBondContact O-CB 3.42Å; N44-A48 PolarHBondContact O-N 3.3Å; N44-F116 HydrophobicContact CB-CE1 4.07Å; N44-F116 HydrophobicContact CB-CZ 4.26Å; N44-Y174 HydrophobicContact CB-CE2 4.37Å; N44-Y174 PolarHBondContact ND2-OH 2.91Å; N44-L320 WeakPolarHBondContact OD1-CD2 3.22Å; N44-P323 HydrophobicContact CB-CB 4.25Å; N44-P323 WeakPolarHBondContact OD1-CA 3.35Å; N44-R324 PolarHBondContact ND2-O 3.17Å; N44-R324 PolarHBondContact OD1-N 3.36Å
45R97.3Very high95.6Very high8 Ų845.7 Ų45.73%0.0324%0.242CC..Hα-helixtrans-59-47.4173.5-176.5-171.6-178.7-123.2-0.9110E13 Y41 V42 A48 G49 F50 F116 E120 Q124E13-R45 IonicContact OE1-CZ 3.55Å; E13-R45 IonicContact OE1-NH1 2.75Å; E13-R45 PolarHBondContact OE1-NH1 3.18Å; E13-R45 IonicContact OE1-NH2 3.18Å; E13-R45 PolarHBondContact OE1-NH2 3Å; Y41-R45 HydrophobicContact CE2-CB 4.37Å; Y41-R45 VanDerWaalsContact O-CB 3.25Å; Y41-R45 WeakPolarHBondContact O-CB 3.44Å; Y41-R45 PolarHBondContact O-N 2.82Å; V42-R45 PolarHBondContact O-N 2.79Å; R45-A48 PolarHBondContact O-N 3.26Å; R45-G49 PolarHBondContact O-N 2.84Å; R45-F50 HydrophobicContact CG-CB 3.67Å; R45-F50 PolarHBondContact NE-O 2.96Å; R45-F50 PolarHBondContact NH2-O 2.92Å; R45-F50 WeakPolarHBondContact O-CB 3.39Å; R45-F50 PolarHBondContact O-N 2.85Å; R45-F116 HydrophobicContact CB-CZ 4.45Å; R45-E120 IonicContact CZ-OE1 2.67Å; R45-E120 IonicContact NE-OE1 2.6Å; R45-E120 PolarHBondContact NE-OE1 3.41Å; R45-E120 IonicContact NH2-OE1 3.1Å; R45-Q124 VanDerWaalsContact NH2-NE2 3.11Å
46R96.2Very high95.7Very high138 Ų13844.1 Ų44.152%0.52124%0.24SC..Hα-helixtrans-63.7-49176-176.6179.5-59.2148.71.7112.5V42 E43 N44 A48 G49 D51V42-R46 PolarHBondContact O-N 2.93Å; V42-R46 VanDerWaalsContact O-N 3.09Å; E43-R46 PolarHBondContact O-N 2.82Å; N44-R46 VanDerWaalsContact C-N 3.33Å; R46-A48 PolarHBondContact O-N 3.24Å; R46-G49 PolarHBondContact O-N 3.25Å; R46-D51 WeakPolarHBondContact CA-OD1 3.47Å; R46-D51 WeakPolarHBondContact CG-OD2 3.23Å; R46-D51 IonicContact NE-OD2 2.66Å
47A96.5Very high95.8Very high23 Ų2347.8 Ų47.819%0.1925%0.248CC..Hα-helixtrans-62.7-23.717800000112.9E43 N44 L320 P323E43-A47 WeakPolarHBondContact O-CB 3.48Å; E43-A47 PolarHBondContact O-N 3.24Å; N44-A47 PolarHBondContact O-N 2.98Å; A47-L320 HydrophobicContact CB-CB 4.26Å; A47-L320 HydrophobicContact CB-CD2 3.83Å; A47-L320 HydrophobicContact CB-CG 3.91Å; A47-L320 WeakPolarHBondContact CB-O 3.45Å; A47-P323 HydrophobicContact CB-CG 4.02Å
48A96.9Very high96Very high18 Ų1847.5 Ų47.515%0.14925%0.246CC..THydrogen-bonded Turntrans-82.6-12174.400000113.6N44 R45 R46 F50 M113 F116 P323N44-A48 WeakPolarHBondContact O-CB 3.42Å; N44-A48 PolarHBondContact O-N 3.3Å; R45-A48 PolarHBondContact O-N 3.26Å; R46-A48 PolarHBondContact O-N 3.24Å; A48-F50 VanDerWaalsContact C-N 3.31Å; A48-F50 HydrophobicContact CB-CB 4.36Å; A48-F50 HydrophobicContact CB-CD1 3.98Å; A48-F50 HydrophobicContact CB-CD2 3.57Å; A48-F50 HydrophobicContact CB-CE1 4.04Å; A48-F50 HydrophobicContact CB-CE2 3.63Å; A48-F50 HydrophobicContact CB-CG 3.73Å; A48-F50 HydrophobicContact CB-CZ 3.85Å; A48-M113 HydrophobicContact CB-CE 3.74Å; A48-F116 HydrophobicContact CB-CD1 4.36Å; A48-F116 HydrophobicContact CB-CE1 3.99Å; A48-P323 HydrophobicContact CB-CG 3.74Å
49G95.9Very high96.1Very high36 Ų3647.4 Ų47.437%0.37125%0.245SC..THydrogen-bonded Turntrans72.922.3-171.900000113.6R45 R46 D52R45-G49 PolarHBondContact O-N 2.84Å; R46-G49 PolarHBondContact O-N 3.25Å; G49-D52 WeakPolarHBondContact O-CB 3.24Å
50F97Very high96.2Very high0 Ų046.8 Ų46.80%024%0.243CC..THydrogen-bonded Turntrans-87.8-8.2-176.5-72.5-5.1000113.5R45 A48 D52 F55 M113 F116 A117 E120 Q124R45-F50 HydrophobicContact CG-CB 3.67Å; R45-F50 PolarHBondContact NE-O 2.96Å; R45-F50 PolarHBondContact NH2-O 2.92Å; R45-F50 WeakPolarHBondContact O-CB 3.39Å; R45-F50 PolarHBondContact O-N 2.85Å; A48-F50 VanDerWaalsContact C-N 3.31Å; A48-F50 HydrophobicContact CB-CB 4.36Å; A48-F50 HydrophobicContact CB-CD1 3.98Å; A48-F50 HydrophobicContact CB-CD2 3.57Å; A48-F50 HydrophobicContact CB-CE1 4.04Å; A48-F50 HydrophobicContact CB-CE2 3.63Å; A48-F50 HydrophobicContact CB-CG 3.73Å; A48-F50 HydrophobicContact CB-CZ 3.85Å; F50-D52 VanDerWaalsContact C-N 3.29Å; F50-F55 AromaticContact CD1-CD2 3.97Å; F50-F55 HydrophobicContact CD1-CD2 3.97Å; F50-F55 AromaticContact CD1-CE2 3.5Å; F50-F55 HydrophobicContact CD1-CE2 3.5Å; F50-F55 VanDerWaalsContact CD1-CE2 3.5Å; F50-F55 AromaticContact CD1-CZ 4Å; F50-F55 HydrophobicContact CD1-CZ 4Å; F50-F55 AromaticContact CE1-CE2 3.77Å; F50-F55 HydrophobicContact CE1-CE2 3.77Å; F50-F55 HydrophobicContact CE1-CZ 4.24Å; F50-F55 HydrophobicContact CG-CE2 4.33Å; F50-F55 HydrophobicContact CG-CZ 4.47Å; F50-M113 HydrophobicContact CE2-CE 4.34Å; F50-M113 HydrophobicContact CZ-CE 3.87Å; F50-F116 HydrophobicContact CD2-CD1 4.16Å; F50-F116 HydrophobicContact CD2-CD2 4.05Å; F50-F116 HydrophobicContact CD2-CE1 4.09Å; F50-F116 AromaticContact CD2-CE2 3.99Å; F50-F116 HydrophobicContact CD2-CE2 3.99Å; F50-F116 HydrophobicContact CD2-CG 4.14Å; F50-F116 HydrophobicContact CD2-CZ 4.02Å; F50-F116 HydrophobicContact CE2-CB 3.89Å; F50-F116 AromaticContact CE2-CD1 3.61Å; F50-F116 HydrophobicContact CE2-CD1 3.61Å; F50-F116 AromaticContact CE2-CD2 3.83Å; F50-F116 HydrophobicContact CE2-CD2 3.83Å; F50-F116 AromaticContact CE2-CE1 4Å; F50-F116 HydrophobicContact CE2-CE1 4Å; F50-F116 HydrophobicContact CE2-CE2 4.21Å; F50-F116 AromaticContact CE2-CG 3.51Å; F50-F116 HydrophobicContact CE2-CG 3.51Å; F50-F116 HydrophobicContact CE2-CZ 4.29Å; F50-A117 HydrophobicContact CE1-CB 3.97Å; F50-A117 HydrophobicContact CE2-CB 4.23Å; F50-A117 VanDerWaalsContact CZ-CA 3.43Å; F50-A117 HydrophobicContact CZ-CB 3.5Å; F50-E120 HydrophobicContact CB-CG 3.84Å; F50-E120 HydrophobicContact CD2-CB 3.99Å; F50-E120 HydrophobicContact CD2-CG 4.06Å; F50-E120 HydrophobicContact CG-CB 4.37Å; F50-E120 HydrophobicContact CG-CG 4.04Å; F50-Q124 PolarHBondContact O-NE2 3.24Å
51D94.9Very high96.3Very high57 Ų5749.8 Ų49.831%0.30525%0.254SS..THydrogen-bonded Turntrans-84.20.6167.660.8-24.8000113.5R46 P53R46-D51 WeakPolarHBondContact CA-OD1 3.47Å; R46-D51 WeakPolarHBondContact CG-OD2 3.23Å; R46-D51 IonicContact NE-OD2 2.66Å; D51-P53 VanDerWaalsContact O-CD 3.3Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å
52D95.4Very high96.3Very high35 Ų3551 Ų5119%0.18726%0.261CS..  trans-57.5119.6169.8177.13.6000110.2G49 F50 Q54 F55 Y387G49-D52 WeakPolarHBondContact O-CB 3.24Å; F50-D52 VanDerWaalsContact C-N 3.29Å; D52-Q54 PolarHBondContact O-N 2.8Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.38Å; D52-Q54 PolarHBondContact OD1-N 3.01Å; D52-F55 HydrophobicContact CB-CB 4.39Å; D52-F55 WeakPolarHBondContact O-CB 3.38Å; D52-F55 PolarHBondContact O-N 2.94Å; D52-Y387 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y387 PolarHBondContact OD2-OH 3.07Å
53P93.9Very high96.4Very high121 Ų12156.9 Ų56.979%0.78629%0.287SS*.THydrogen-bonded Turntrans-58.6-18176.2-24.835.1000114.4D51D51-P53 VanDerWaalsContact O-CD 3.3Å; D51-P53 WeakPolarHBondContact O-CD 3.4Å
54Q95.8Very high96.5Very high87 Ų8754.4 Ų54.441%0.40727%0.274SS..THydrogen-bonded Turntrans-94.12.8175.6-57.2-61.1-57.300113.6D52 L56 K57 N58D52-Q54 PolarHBondContact O-N 2.8Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.38Å; D52-Q54 PolarHBondContact OD1-N 3.01Å; Q54-L56 PolarHBondContact O-N 3.14Å; Q54-K57 WeakPolarHBondContact O-CB 3.45Å; Q54-K57 PolarHBondContact O-N 3.43Å; Q54-N58 VanDerWaalsContact CB-ND2 3.32Å; Q54-N58 WeakPolarHBondContact CB-ND2 3.48Å; Q54-N58 PolarHBondContact O-N 2.88Å; Q54-N58 PolarHBondContact O-ND2 3.14Å
55F96.8Very high96.5Very high3 Ų354.4 Ų54.41%0.01327%0.274CS..THydrogen-bonded Turntrans-54.2-47.8-175.7176.8-106.5000113.2F50 D52 K57 N58 F59 A117 E120F50-F55 AromaticContact CD1-CD2 3.97Å; F50-F55 HydrophobicContact CD1-CD2 3.97Å; F50-F55 AromaticContact CD1-CE2 3.5Å; F50-F55 HydrophobicContact CD1-CE2 3.5Å; F50-F55 VanDerWaalsContact CD1-CE2 3.5Å; F50-F55 AromaticContact CD1-CZ 4Å; F50-F55 HydrophobicContact CD1-CZ 4Å; F50-F55 AromaticContact CE1-CE2 3.77Å; F50-F55 HydrophobicContact CE1-CE2 3.77Å; F50-F55 HydrophobicContact CE1-CZ 4.24Å; F50-F55 HydrophobicContact CG-CE2 4.33Å; F50-F55 HydrophobicContact CG-CZ 4.47Å; D52-F55 HydrophobicContact CB-CB 4.39Å; D52-F55 WeakPolarHBondContact O-CB 3.38Å; D52-F55 PolarHBondContact O-N 2.94Å; F55-K57 VanDerWaalsContact C-N 3.3Å; F55-K57 PolarHBondContact O-N 2.81Å; F55-N58 CarbonylContact O-C 3.48Å; F55-N58 PolarHBondContact O-N 3.4Å; F55-F59 HydrophobicContact CZ-CD2 4.21Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 PolarHBondContact O-N 3.15Å; F55-A117 HydrophobicContact CZ-CB 4.45Å; F55-A117 WeakPolarHBondContact CZ-O 3.32Å; F55-E120 HydrophobicContact CD1-CG 4.2Å; F55-E120 HydrophobicContact CE1-CB 3.95Å; F55-E120 HydrophobicContact CE1-CG 3.7Å; F55-E120 HydrophobicContact CZ-CB 4.23Å; F55-E120 HydrophobicContact CZ-CG 4.27Å
56L96.3Very high96.5Very high56 Ų5659.1 Ų59.129%0.29330%0.295SS..THydrogen-bonded Turntrans-59-40.6177.2-74.3-175.7000112.8Q54 Y121 Q124 Q125Q54-L56 PolarHBondContact O-N 3.14Å; L56-Y121 HydrophobicContact CD2-CD2 3.51Å; L56-Y121 HydrophobicContact CD2-CE2 3.79Å; L56-Y121 HydrophobicContact CD2-CG 4.45Å; L56-Y121 WeakPolarHBondContact CD2-O 3.32Å; L56-Q124 HydrophobicContact CD1-CB 4.06Å; L56-Q124 HydrophobicContact CD2-CB 3.71Å; L56-Q124 HydrophobicContact CG-CB 3.93Å; L56-Q125 HydrophobicContact CD1-CG 4.5Å; L56-Q125 HydrophobicContact CD2-CG 3.97Å
57K96.1Very high96.5Very high156 Ų15656.3 Ų56.368%0.67829%0.287SS*.THydrogen-bonded Turntrans-68.9-40.5-179.7-178.4-173.4175.5-175.30110.9Q54 F55Q54-K57 WeakPolarHBondContact O-CB 3.45Å; Q54-K57 PolarHBondContact O-N 3.43Å; F55-K57 VanDerWaalsContact C-N 3.3Å; F55-K57 PolarHBondContact O-N 2.81Å
58N96.8Very high96.6Very high23 Ų2355.2 Ų55.212%0.12328%0.277CS..THydrogen-bonded Turntrans-103.220.9-173.9-55.3-34000112.7Q54 F55 Y60 E61 N62 Y387Q54-N58 VanDerWaalsContact CB-ND2 3.32Å; Q54-N58 WeakPolarHBondContact CB-ND2 3.48Å; Q54-N58 PolarHBondContact O-N 2.88Å; Q54-N58 PolarHBondContact O-ND2 3.14Å; F55-N58 CarbonylContact O-C 3.48Å; F55-N58 PolarHBondContact O-N 3.4Å; N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 2.95Å; N58-E61 HydrophobicContact CB-CB 4.27Å; N58-E61 HydrophobicContact CB-CG 4.42Å; N58-E61 WeakPolarHBondContact O-CA 3.33Å; N58-E61 WeakPolarHBondContact O-CB 3.2Å; N58-E61 PolarHBondContact O-N 3.35Å; N58-N62 PolarHBondContact O-N 3.23Å; N58-Y387 HydrophobicContact CB-CD1 3.66Å; N58-Y387 HydrophobicContact CB-CD2 4.45Å; N58-Y387 HydrophobicContact CB-CE1 3.12Å; N58-Y387 HydrophobicContact CB-CE2 4.02Å; N58-Y387 HydrophobicContact CB-CG 4.3Å; N58-Y387 WeakPolarHBondContact ND2-CD2 3.31Å; N58-Y387 WeakPolarHBondContact ND2-CE2 3.4Å
59F97.5Very high96.6Very high0 Ų054.5 Ų54.50%027%0.271CS..G310 helixtrans-52.4-46.9-178169.4-107.6000112.2F55 E61 N62 I65 T76 I118 Y121F55-F59 HydrophobicContact CZ-CD2 4.21Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 PolarHBondContact O-N 3.15Å; F59-E61 PolarHBondContact O-N 3.13Å; F59-N62 VanDerWaalsContact O-CB 3.29Å; F59-N62 WeakPolarHBondContact O-CB 3.36Å; F59-N62 PolarHBondContact O-N 3.15Å; F59-I65 HydrophobicContact CD1-CG2 4.28Å; F59-I65 HydrophobicContact CD2-CD1 4.29Å; F59-I65 HydrophobicContact CD2-CG1 3.97Å; F59-I65 HydrophobicContact CE1-CG2 3.85Å; F59-I65 HydrophobicContact CE2-CD1 3.37Å; F59-I65 HydrophobicContact CE2-CG1 3.54Å; F59-I65 HydrophobicContact CE2-CG2 4.31Å; F59-I65 HydrophobicContact CZ-CD1 3.55Å; F59-I65 HydrophobicContact CZ-CG1 3.89Å; F59-I65 HydrophobicContact CZ-CG2 3.87Å; F59-I65 WeakPolarHBondContact O-CB 3.36Å; F59-T76 HydrophobicContact CE1-CG2 3.99Å; F59-T76 HydrophobicContact CZ-CG2 4.32Å; F59-I118 HydrophobicContact CZ-CG1 4.18Å; F59-Y121 HydrophobicContact CB-CD2 3.64Å; F59-Y121 HydrophobicContact CB-CE2 3.68Å; F59-Y121 HydrophobicContact CB-CG 4.47Å; F59-Y121 HydrophobicContact CD1-CD1 4.21Å; F59-Y121 AromaticContact CD1-CD2 3.99Å; F59-Y121 HydrophobicContact CD1-CD2 3.99Å; F59-Y121 HydrophobicContact CD1-CE1 4.11Å; F59-Y121 AromaticContact CD1-CE2 3.91Å; F59-Y121 HydrophobicContact CD1-CE2 3.91Å; F59-Y121 HydrophobicContact CD1-CG 4.15Å; F59-Y121 AromaticContact CD1-CZ 3.97Å; F59-Y121 VanDerWaalsContact CD2-CB 3.47Å; F59-Y121 HydrophobicContact CD2-CD1 4.1Å; F59-Y121 AromaticContact CD2-CD2 3.38Å; F59-Y121 HydrophobicContact CD2-CD2 3.38Å; F59-Y121 HydrophobicContact CD2-CE2 4.12Å; F59-Y121 AromaticContact CD2-CG 3.37Å; F59-Y121 HydrophobicContact CD2-CG 3.37Å; F59-Y121 AromaticContact CE1-CD1 3.97Å; F59-Y121 HydrophobicContact CE1-CD1 3.97Å; F59-Y121 HydrophobicContact CE1-CE1 4.04Å; F59-Y121 HydrophobicContact CE1-CG 4.23Å; F59-Y121 AromaticContact CE2-CD1 3.84Å; F59-Y121 HydrophobicContact CE2-CD1 3.84Å; F59-Y121 AromaticContact CE2-CD2 3.97Å; F59-Y121 HydrophobicContact CE2-CD2 3.97Å; F59-Y121 AromaticContact CE2-CG 3.44Å; F59-Y121 HydrophobicContact CE2-CG 3.44Å; F59-Y121 VanDerWaalsContact CE2-CG 3.44Å; F59-Y121 HydrophobicContact CG-CD1 4.26Å; F59-Y121 AromaticContact CG-CD2 3.38Å; F59-Y121 HydrophobicContact CG-CD2 3.38Å; F59-Y121 HydrophobicContact CG-CE1 4.45Å; F59-Y121 AromaticContact CG-CE2 3.63Å; F59-Y121 HydrophobicContact CG-CE2 3.63Å; F59-Y121 AromaticContact CG-CG 3.73Å; F59-Y121 HydrophobicContact CG-CG 3.73Å; F59-Y121 AromaticContact CZ-CD1 3.77Å; F59-Y121 HydrophobicContact CZ-CD1 3.77Å; F59-Y121 HydrophobicContact CZ-CE1 4.31Å; F59-Y121 AromaticContact CZ-CG 3.89Å; F59-Y121 HydrophobicContact CZ-CG 3.89Å
60Y96.5Very high96.7Very high92 Ų9253.5 Ų53.536%0.36126%0.258SS..G310 helixtrans-70.2-13.3177.8-62.9-76.6000113.7N58 K66 L69 T76N58-Y60 VanDerWaalsContact C-N 3.29Å; N58-Y60 PolarHBondContact O-N 2.95Å; Y60-K66 WeakPolarHBondContact O-CE 3.41Å; Y60-K66 WeakPolarHBondContact O-CG 3.47Å; Y60-L69 HydrophobicContact CD1-CD2 3.96Å; Y60-L69 HydrophobicContact CE1-CD2 3.8Å; Y60-T76 WeakPolarHBondContact OH-CB 3.47Å; Y60-T76 PolarHBondContact OH-O 3.38Å; Y60-T76 PolarHBondContact OH-OG1 3.09Å
61E96.7Very high96.7Very high95 Ų9554.1 Ų54.144%0.44426%0.261SS..G310 helixtrans-87.1-18.7176.3-58.9-55.2130.200112.9N58 F59 Q63 K66 Y387N58-E61 HydrophobicContact CB-CB 4.27Å; N58-E61 HydrophobicContact CB-CG 4.42Å; N58-E61 WeakPolarHBondContact O-CA 3.33Å; N58-E61 WeakPolarHBondContact O-CB 3.2Å; N58-E61 PolarHBondContact O-N 3.35Å; F59-E61 PolarHBondContact O-N 3.13Å; E61-Q63 PolarHBondContact O-N 3.32Å; E61-K66 PolarHBondContact O-NZ 2.91Å; E61-K66 VanDerWaalsContact OE2-CE 3.25Å; E61-K66 WeakPolarHBondContact OE2-CE 3.26Å; E61-K66 IonicContact OE2-NZ 2.75Å; E61-K66 PolarHBondContact OE2-NZ 3.49Å; E61-Y387 HydrophobicContact CB-CD1 3.73Å; E61-Y387 HydrophobicContact CB-CE1 3.91Å; E61-Y387 HydrophobicContact CG-CD1 4.25Å
62N97.5Very high96.8Very high27 Ų2752.2 Ų52.214%0.14425%0.252CS..SBendtrans-58130.8177.3-178.8-77.3000110.9N58 F59 Y64 I65 K66N58-N62 PolarHBondContact O-N 3.23Å; F59-N62 VanDerWaalsContact O-CB 3.29Å; F59-N62 WeakPolarHBondContact O-CB 3.36Å; F59-N62 PolarHBondContact O-N 3.15Å; N62-Y64 VanDerWaalsContact C-N 3.29Å; N62-Y64 PolarHBondContact O-N 3.26Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.5Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.16Å; N62-Y64 PolarHBondContact OD1-N 2.81Å; N62-I65 HydrophobicContact CB-CB 4.11Å; N62-I65 HydrophobicContact CB-CG1 3.88Å; N62-I65 PolarHBondContact O-N 2.78Å; N62-I65 VanDerWaalsContact O-N 3.14Å; N62-I65 PolarHBondContact OD1-N 2.82Å; N62-K66 PolarHBondContact O-N 3.16Å
63Q96.6Very high96.9Very high134 Ų13450.8 Ų50.863%0.62625%0.245SC*.Hα-helixtrans-57.4-37.7-174.364.8-177.1-67.400114E61 K67E61-Q63 PolarHBondContact O-N 3.32Å; Q63-K67 WeakPolarHBondContact O-CB 3.26Å; Q63-K67 PolarHBondContact O-N 3.32Å; Q63-K67 VanDerWaalsContact O-N 3.1Å
64Y97.6Very high97.1Very high32 Ų3245.7 Ų45.713%0.12521%0.211CC..Hα-helixtrans-75.3-37.2-179.3-52.1-69.3000110.9N62 K67 V68 E110 M113N62-Y64 VanDerWaalsContact C-N 3.29Å; N62-Y64 PolarHBondContact O-N 3.26Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.5Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.16Å; N62-Y64 PolarHBondContact OD1-N 2.81Å; Y64-K67 PolarHBondContact O-N 3.12Å; Y64-V68 WeakPolarHBondContact O-CB 3.3Å; Y64-V68 WeakPolarHBondContact O-CG2 3.1Å; Y64-V68 PolarHBondContact O-N 3.44Å; Y64-E110 HydrophobicContact CD1-CB 4.45Å; Y64-E110 HydrophobicContact CD1-CG 4.35Å; Y64-E110 HydrophobicContact CE1-CG 4.4Å; Y64-M113 HydrophobicContact CD1-CB 3.57Å; Y64-M113 HydrophobicContact CD1-CG 4.35Å; Y64-M113 HydrophobicContact CD2-CB 3.64Å; Y64-M113 HydrophobicContact CD2-CE 4.09Å; Y64-M113 HydrophobicContact CD2-CG 4.39Å; Y64-M113 HydrophobicContact CE1-CB 3.67Å; Y64-M113 HydrophobicContact CE1-CG 3.94Å; Y64-M113 HydrophobicContact CE2-CB 3.75Å; Y64-M113 HydrophobicContact CE2-CE 3.56Å; Y64-M113 HydrophobicContact CE2-CG 3.99Å; Y64-M113 HydrophobicContact CG-CB 3.54Å
65I98.3Very high97.2Very high2 Ų241.7 Ų41.71%0.0119%0.192CC..Hα-helixtrans-64.4-51.5173.1-59.9-55.8000110.3F59 N62 K67 V68 L69 F114 A117 I118F59-I65 HydrophobicContact CD1-CG2 4.28Å; F59-I65 HydrophobicContact CD2-CD1 4.29Å; F59-I65 HydrophobicContact CD2-CG1 3.97Å; F59-I65 HydrophobicContact CE1-CG2 3.85Å; F59-I65 HydrophobicContact CE2-CD1 3.37Å; F59-I65 HydrophobicContact CE2-CG1 3.54Å; F59-I65 HydrophobicContact CE2-CG2 4.31Å; F59-I65 HydrophobicContact CZ-CD1 3.55Å; F59-I65 HydrophobicContact CZ-CG1 3.89Å; F59-I65 HydrophobicContact CZ-CG2 3.87Å; F59-I65 WeakPolarHBondContact O-CB 3.36Å; N62-I65 HydrophobicContact CB-CB 4.11Å; N62-I65 HydrophobicContact CB-CG1 3.88Å; N62-I65 PolarHBondContact O-N 2.78Å; N62-I65 VanDerWaalsContact O-N 3.14Å; N62-I65 PolarHBondContact OD1-N 2.82Å; I65-K67 PolarHBondContact O-N 3.39Å; I65-V68 PolarHBondContact O-N 2.99Å; I65-L69 HydrophobicContact CG2-CB 4.01Å; I65-L69 HydrophobicContact CG2-CD2 3.85Å; I65-L69 WeakPolarHBondContact O-CB 3.42Å; I65-L69 PolarHBondContact O-N 2.93Å; I65-F114 HydrophobicContact CD1-CD2 3.78Å; I65-F114 HydrophobicContact CD1-CE2 4.02Å; I65-A117 HydrophobicContact CD1-CB 3.67Å; I65-A117 HydrophobicContact CG1-CB 4.03Å; I65-I118 HydrophobicContact CD1-CB 4.49Å
66K97.3Very high97.3Very high106 Ų10641.7 Ų41.746%0.46119%0.193SC..Hα-helixtrans-53.2-40.4176.7-78.4-177.7162.61510113.2Y60 E61 N62 P70Y60-K66 WeakPolarHBondContact O-CE 3.41Å; Y60-K66 WeakPolarHBondContact O-CG 3.47Å; E61-K66 PolarHBondContact O-NZ 2.91Å; E61-K66 VanDerWaalsContact OE2-CE 3.25Å; E61-K66 WeakPolarHBondContact OE2-CE 3.26Å; E61-K66 IonicContact OE2-NZ 2.75Å; E61-K66 PolarHBondContact OE2-NZ 3.49Å; N62-K66 PolarHBondContact O-N 3.16Å; K66-P70 VanDerWaalsContact O-CD 3.3Å; K66-P70 WeakPolarHBondContact O-CD 3.14Å; K66-P70 WeakPolarHBondContact O-CG 3.26Å
67K96.6Very high97.2Very high79 Ų7940.5 Ų40.534%0.34319%0.188SC..Hα-helixtrans-75.9-48.3-177.7-176.3168.1-174.7170.10112.5Q63 Y64 I65 A105 E110Q63-K67 WeakPolarHBondContact O-CB 3.26Å; Q63-K67 PolarHBondContact O-N 3.32Å; Q63-K67 VanDerWaalsContact O-N 3.1Å; Y64-K67 PolarHBondContact O-N 3.12Å; I65-K67 PolarHBondContact O-N 3.39Å; K67-A105 WeakPolarHBondContact CE-O 3.33Å; K67-E110 WeakPolarHBondContact CD-OE1 3.18Å; K67-E110 VanDerWaalsContact CE-OE2 3.27Å; K67-E110 WeakPolarHBondContact CE-OE2 3.48Å; K67-E110 IonicContact NZ-OE1 3.53Å; K67-E110 PolarHBondContact NZ-OE1 2.73Å; K67-E110 IonicContact NZ-OE2 2.69Å; K67-E110 PolarHBondContact NZ-OE2 3.07Å
68V97.9Very high97.1Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-99.6-33.8-165.5-174.10000112.7Y64 I65 P70 L71 T72 T106 L111 F114Y64-V68 WeakPolarHBondContact O-CB 3.3Å; Y64-V68 WeakPolarHBondContact O-CG2 3.1Å; Y64-V68 PolarHBondContact O-N 3.44Å; I65-V68 PolarHBondContact O-N 2.99Å; V68-P70 VanDerWaalsContact C-CD 3.45Å; V68-P70 VanDerWaalsContact C-N 3.31Å; V68-L71 WeakPolarHBondContact O-CA 3.5Å; V68-L71 WeakPolarHBondContact O-CB 3.49Å; V68-L71 PolarHBondContact O-N 2.95Å; V68-T72 HydrophobicContact CG1-CG2 4.21Å; V68-T72 WeakPolarHBondContact O-CG2 3.44Å; V68-T106 HydrophobicContact CG2-CG2 3.77Å; V68-L111 HydrophobicContact CG1-CD1 4.05Å; V68-F114 HydrophobicContact CB-CB 3.82Å; V68-F114 HydrophobicContact CB-CD1 4.16Å; V68-F114 HydrophobicContact CB-CD2 3.56Å; V68-F114 HydrophobicContact CB-CE2 4.14Å; V68-F114 HydrophobicContact CB-CG 3.57Å; V68-F114 HydrophobicContact CG1-CB 3.99Å; V68-F114 HydrophobicContact CG1-CD1 3.56Å; V68-F114 HydrophobicContact CG1-CD2 3.87Å; V68-F114 HydrophobicContact CG1-CE1 3.94Å; V68-F114 HydrophobicContact CG1-CE2 4.22Å; V68-F114 HydrophobicContact CG1-CG 3.51Å; V68-F114 HydrophobicContact CG1-CZ 4.25Å; V68-F114 HydrophobicContact CG2-CB 3.92Å; V68-F114 HydrophobicContact CG2-CG 4.24Å
69L97.9Very high97Very high4 Ų437.9 Ų37.92%0.02119%0.185CC..G310 helixtrans-52.9-43.3179.7-177.265.5000112.3Y60 I65 L71 T72 I74 T76 F114 Y253Y60-L69 HydrophobicContact CD1-CD2 3.96Å; Y60-L69 HydrophobicContact CE1-CD2 3.8Å; I65-L69 HydrophobicContact CG2-CB 4.01Å; I65-L69 HydrophobicContact CG2-CD2 3.85Å; I65-L69 WeakPolarHBondContact O-CB 3.42Å; I65-L69 PolarHBondContact O-N 2.93Å; L69-L71 PolarHBondContact O-N 2.96Å; L69-T72 PolarHBondContact O-N 2.88Å; L69-T72 PolarHBondContact O-OG1 3.43Å; L69-I74 HydrophobicContact CD1-CG2 3.61Å; L69-T76 HydrophobicContact CD1-CG2 3.94Å; L69-T76 HydrophobicContact CD2-CG2 4.43Å; L69-F114 HydrophobicContact CB-CE2 4.07Å; L69-F114 HydrophobicContact CD1-CE2 4.43Å; L69-Y253 HydrophobicContact CD1-CD2 4.4Å; L69-Y253 HydrophobicContact CD1-CG 4.32Å; L69-Y253 HydrophobicContact CD2-CD2 3.68Å; L69-Y253 HydrophobicContact CD2-CE2 3.83Å; L69-Y253 HydrophobicContact CD2-CG 4.35Å; L69-Y253 HydrophobicContact CG-CD1 4.41Å; L69-Y253 HydrophobicContact CG-CD2 3.78Å; L69-Y253 HydrophobicContact CG-CE2 4.11Å; L69-Y253 HydrophobicContact CG-CG 3.93Å
70P97.2Very high97Very high15 Ų1538.6 Ų38.610%0.09719%0.189CC..G310 helixtrans-65.3-10177.4-20.834.4000115.4K66 V68 Y253 N255 K256K66-P70 VanDerWaalsContact O-CD 3.3Å; K66-P70 WeakPolarHBondContact O-CD 3.14Å; K66-P70 WeakPolarHBondContact O-CG 3.26Å; V68-P70 VanDerWaalsContact C-CD 3.45Å; V68-P70 VanDerWaalsContact C-N 3.31Å; P70-Y253 VanDerWaalsContact CA-CE1 3.49Å; P70-Y253 HydrophobicContact CB-CE1 3.96Å; P70-Y253 HydrophobicContact CG-CE1 4.25Å; P70-N255 CarbonylContact O-C 3.53Å; P70-N255 WeakPolarHBondContact O-CA 3.28Å; P70-K256 HydrophobicContact CB-CD 4.03Å; P70-K256 HydrophobicContact CB-CG 4.33Å; P70-K256 PolarHBondContact O-N 2.7Å
71L97.4Very high97.1Very high12 Ų1235.7 Ų35.76%0.06318%0.181CC..G310 helixtrans-97.5-0.3175.9-44.9-178.8000111.8V68 L69 V97 V102 A105 T106 I258 L262V68-L71 WeakPolarHBondContact O-CA 3.5Å; V68-L71 WeakPolarHBondContact O-CB 3.49Å; V68-L71 PolarHBondContact O-N 2.95Å; L69-L71 PolarHBondContact O-N 2.96Å; L71-V97 VanDerWaalsContact O-CG1 3.23Å; L71-V97 WeakPolarHBondContact O-CG1 3.22Å; L71-V102 HydrophobicContact CB-CG2 4.04Å; L71-A105 HydrophobicContact CD1-CB 3.98Å; L71-T106 HydrophobicContact CD1-CG2 4.49Å; L71-I258 HydrophobicContact CB-CD1 4.1Å; L71-I258 HydrophobicContact CD2-CG1 4.2Å; L71-L262 HydrophobicContact CD2-CD1 4.26Å
72T96.9Very high97.2Very high17 Ų1731.2 Ų31.210%0.10416%0.16CC..SBendtrans-124.7164.2-173.868.70000111.1V68 L69 F114 N255V68-T72 HydrophobicContact CG1-CG2 4.21Å; V68-T72 WeakPolarHBondContact O-CG2 3.44Å; L69-T72 PolarHBondContact O-N 2.88Å; L69-T72 PolarHBondContact O-OG1 3.43Å; T72-F114 HydrophobicContact CG2-CE1 3.99Å; T72-F114 HydrophobicContact CG2-CZ 3.95Å; T72-N255 WeakPolarHBondContact O-CB 3.25Å
73S97.8Very high97.2Very high5 Ų537 Ų374%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-124.787.8174.6-165.90000110.4N92 R93 C252 Y253S73-N92 PolarHBondContact O-OD1 2.9Å; S73-R93 PolarHBondContact O-N 3.47Å; S73-C252 WeakPolarHBondContact OG-CB 3.27Å; S73-Y253 WeakPolarHBondContact CA-O 3.28Å; S73-Y253 PolarHBondContact OG-O 2.6Å
74I98.3Very high97.2Very high15 Ų1535.6 Ų35.68%0.07718%0.178CC..EExtended strand (participates in β ladder)trans-134145.2-179.8-170.8171.2000109.8L69 T76 V90 I91 N92 I118 F122 Y253L69-I74 HydrophobicContact CD1-CG2 3.61Å; I74-T76 HydrophobicContact CG2-CG2 4.13Å; I74-V90 HydrophobicContact CD1-CG1 4Å; I74-V90 HydrophobicContact CG1-CG1 4.03Å; I74-I91 CarbonylContact C-O 3.58Å; I74-I91 VanDerWaalsContact CA-O 3.27Å; I74-I91 WeakPolarHBondContact CA-O 3.48Å; I74-I91 WeakPolarHBondContact CG1-O 3.39Å; I74-N92 HydrophobicContact CD1-CB 4.42Å; I74-N92 HydrophobicContact CG1-CB 4.22Å; I74-I118 HydrophobicContact CD1-CD1 3.78Å; I74-I118 HydrophobicContact CD1-CG1 4.43Å; I74-I118 HydrophobicContact CG2-CD1 3.68Å; I74-F122 HydrophobicContact CD1-CE2 3.84Å; I74-F122 HydrophobicContact CD1-CZ 3.9Å; I74-F122 HydrophobicContact CG1-CZ 4.36Å; I74-Y253 PolarHBondContact O-N 2.78Å
75S98.4Very high97.1Very high3 Ų336.6 Ų36.62%0.02119%0.185CC..  trans-76.4130.6173.866.90000110.4I91 C251S75-I91 PolarHBondContact N-O 3.18Å; S75-I91 PolarHBondContact OG-N 3.22Å; S75-I91 PolarHBondContact OG-O 3.48Å; S75-C251 VanDerWaalsContact CA-O 3.31Å; S75-C251 WeakPolarHBondContact CA-O 3.48Å; S75-C251 WeakPolarHBondContact CB-O 3.21Å
76T97.1Very high97.1Very high3 Ų337.6 Ų37.62%0.01819%0.191CC..  trans-129.517.5-179.854.90000112.1F59 Y60 L69 I74 I118 Y121F59-T76 HydrophobicContact CE1-CG2 3.99Å; F59-T76 HydrophobicContact CZ-CG2 4.32Å; Y60-T76 WeakPolarHBondContact OH-CB 3.47Å; Y60-T76 PolarHBondContact OH-O 3.38Å; Y60-T76 PolarHBondContact OH-OG1 3.09Å; L69-T76 HydrophobicContact CD1-CG2 3.94Å; L69-T76 HydrophobicContact CD2-CG2 4.43Å; I74-T76 HydrophobicContact CG2-CG2 4.13Å; T76-I118 HydrophobicContact CG2-CD1 4.38Å; T76-Y121 PolarHBondContact O-OH 3.4Å
77T95.6Very high97.2Very high31 Ų3132.5 Ų32.519%0.1917%0.169CC..  trans-60.2129.1171.6-58.90000109.6M79 V80 W239 E241T77-M79 PolarHBondContact O-N 2.53Å; T77-V80 HydrophobicContact CG2-CG2 3.6Å; T77-W239 HydrophobicContact CG2-CZ2 4.5Å; T77-E241 WeakPolarHBondContact CB-OE1 3.38Å; T77-E241 WeakPolarHBondContact CG2-OE1 3.45Å; T77-E241 PolarHBondContact OG1-OE1 2.96Å
78P94.4Very high97.3Very high84 Ų8428.9 Ų28.955%0.54515%0.153SC..THydrogen-bonded Turntrans-63.6134.5177.2-16.226.2000112.5V80 Y121P78-V80 PolarHBondContact O-N 3.05Å; P78-Y121 WeakPolarHBondContact CG-OH 3.43Å
79M93.4Very high97.3Very high39 Ų3929.1 Ų29.119%0.19216%0.155CC..THydrogen-bonded Turntrans57.947.4162.6-158.665.470.800115.2T77 V81 I88 Q125 E128 Q129T77-M79 PolarHBondContact O-N 2.53Å; M79-V81 HydrophobicContact CG-CG2 3.95Å; M79-V81 PolarHBondContact O-N 3.24Å; M79-V81 HydrophobicContact SD-CG2 4Å; M79-I88 HydrophobicContact SD-CG2 3.98Å; M79-Q125 HydrophobicContact CE-CB 4.07Å; M79-Q125 HydrophobicContact CE-CG 4.45Å; M79-Q125 WeakPolarHBondContact CE-O 3.39Å; M79-E128 HydrophobicContact CE-CB 3.75Å; M79-E128 HydrophobicContact CE-CG 3.63Å; M79-Q129 HydrophobicContact CE-CB 4.44Å; M79-Q129 HydrophobicContact SD-CB 3.79Å; M79-Q129 HydrophobicContact SD-CG 4.48Å
80V97.8Very high97.3Very high16 Ų1629.1 Ų29.110%0.09716%0.155CC..  trans-8498.7171.3-177.80000109.5T77 P78 I88 V89 A230 W239T77-V80 HydrophobicContact CG2-CG2 3.6Å; P78-V80 PolarHBondContact O-N 3.05Å; V80-I88 CarbonylContact O-C 3.56Å; V80-I88 WeakPolarHBondContact O-CA 3.41Å; V80-V89 HydrophobicContact CG1-CB 4.48Å; V80-V89 PolarHBondContact O-N 3.31Å; V80-A230 HydrophobicContact CG1-CB 3.89Å; V80-W239 HydrophobicContact CB-CH2 4.26Å; V80-W239 HydrophobicContact CB-CZ2 4.33Å; V80-W239 HydrophobicContact CB-CZ3 4.41Å; V80-W239 HydrophobicContact CG1-CD2 3.85Å; V80-W239 HydrophobicContact CG1-CE3 3.72Å; V80-W239 HydrophobicContact CG1-CG 4.5Å; V80-W239 HydrophobicContact CG1-CH2 4.17Å; V80-W239 HydrophobicContact CG1-CZ2 4.29Å; V80-W239 HydrophobicContact CG1-CZ3 3.88Å; V80-W239 HydrophobicContact CG2-CD2 4.43Å; V80-W239 HydrophobicContact CG2-CH2 4.02Å; V80-W239 HydrophobicContact CG2-CZ2 3.63Å
81V98.4Very high97.4Very high31 Ų3128.4 Ų28.419%0.18815%0.15CC..EExtended strand (participates in β ladder)trans-94.4125-168.5178.50000112.4M79 E83 S87 I88 Q129 A230M79-V81 HydrophobicContact CG-CG2 3.95Å; M79-V81 PolarHBondContact O-N 3.24Å; M79-V81 HydrophobicContact SD-CG2 4Å; V81-E83 PolarHBondContact O-N 3.02Å; V81-E83 VanDerWaalsContact O-N 3.16Å; V81-S87 CarbonylContact C-O 3.55Å; V81-S87 WeakPolarHBondContact CA-O 3.22Å; V81-I88 HydrophobicContact CG2-CG2 4.49Å; V81-Q129 HydrophobicContact CG2-CG 4.32Å; V81-A230 VanDerWaalsContact O-CB 3.22Å; V81-A230 WeakPolarHBondContact O-CB 3.21Å
82N98.3Very high97.4Very high0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-7298.3162.1-17717.2000110.1K84 D85 N86 S87 V89 R225 I226 S227N82-K84 PolarHBondContact O-N 3.03Å; N82-K84 WeakPolarHBondContact OD1-CB 3.25Å; N82-K84 PolarHBondContact OD1-N 2.65Å; N82-D85 WeakPolarHBondContact CB-OD1 3.49Å; N82-D85 PolarHBondContact ND2-OD1 2.89Å; N82-D85 PolarHBondContact ND2-OD2 3.17Å; N82-D85 VanDerWaalsContact ND2-OD2 3.09Å; N82-D85 PolarHBondContact O-N 2.93Å; N82-N86 WeakPolarHBondContact O-CA 3.06Å; N82-N86 PolarHBondContact O-N 2.75Å; N82-S87 PolarHBondContact N-O 3.39Å; N82-V89 HydrophobicContact CB-CG2 3.79Å; N82-R225 PolarHBondContact ND2-O 2.73Å; N82-I226 HydrophobicContact CB-CG2 4.35Å; N82-I226 WeakPolarHBondContact OD1-CA 3.23Å; N82-S227 PolarHBondContact OD1-N 2.76Å; N82-S227 PolarHBondContact OD1-OG 3.33Å
83E97.3Very high97.4Very high149 Ų14930.7 Ų30.770%0.69616%0.158SC*.THydrogen-bonded Turntrans-59.5-19.6-178.1-54.3173.3152.300113.7V81 S227V81-E83 PolarHBondContact O-N 3.02Å; V81-E83 VanDerWaalsContact O-N 3.16Å; E83-S227 WeakPolarHBondContact CB-OG 3.35Å; E83-S227 PolarHBondContact N-OG 2.92Å
84K97.2Very high97.3Very high105 Ų10531.1 Ų31.146%0.45716%0.159SC..THydrogen-bonded Turntrans-70.5-32.8-179.3-66.8175178.5177.60113.8N82 P223 K224 R225 I226N82-K84 PolarHBondContact O-N 3.03Å; N82-K84 WeakPolarHBondContact OD1-CB 3.25Å; N82-K84 PolarHBondContact OD1-N 2.65Å; K84-P223 PolarHBondContact NZ-O 2.96Å; K84-K224 PolarHBondContact NZ-O 3.41Å; K84-R225 WeakPolarHBondContact CD-O 3.39Å; K84-I226 PolarHBondContact NZ-O 2.95Å
85D96.4Very high97Very high52 Ų5230.8 Ų30.828%0.27816%0.16SC..THydrogen-bonded Turntrans-1347.5-176.864.814000113.4N82 S87 T140 T180N82-D85 WeakPolarHBondContact CB-OD1 3.49Å; N82-D85 PolarHBondContact ND2-OD1 2.89Å; N82-D85 PolarHBondContact ND2-OD2 3.17Å; N82-D85 VanDerWaalsContact ND2-OD2 3.09Å; N82-D85 PolarHBondContact O-N 2.93Å; D85-S87 VanDerWaalsContact CG-OG 3.28Å; D85-S87 PolarHBondContact O-N 3.49Å; D85-S87 VanDerWaalsContact OD1-CB 3.23Å; D85-S87 WeakPolarHBondContact OD1-CB 3.33Å; D85-S87 PolarHBondContact OD1-N 2.82Å; D85-S87 PolarHBondContact OD1-OG 2.7Å; D85-S87 PolarHBondContact OD2-OG 3.47Å; D85-T140 PolarHBondContact OD2-OG1 3.16Å; D85-T180 HydrophobicContact CB-CG2 4.33Å
86N98.1Very high96.7Very high23 Ų2333.7 Ų33.712%0.12319%0.19CC..THydrogen-bonded Turntrans65.49.1179.1-163.654.7000114.5N82 Q129 S133 K135 P136 S137N82-N86 WeakPolarHBondContact O-CA 3.06Å; N82-N86 PolarHBondContact O-N 2.75Å; N86-Q129 PolarHBondContact OD1-NE2 2.97Å; N86-S133 PolarHBondContact ND2-OG 3.12Å; N86-S133 WeakPolarHBondContact OD1-CB 3.23Å; N86-S133 PolarHBondContact OD1-OG 3.29Å; N86-K135 PolarHBondContact ND2-O 3.49Å; N86-P136 PolarHBondContact ND2-O 2.78Å; N86-S137 WeakPolarHBondContact O-CB 3.47Å; N86-S137 PolarHBondContact O-OG 2.86Å
87S98.4Very high96.5Very high0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-80157.6178.665.70000112.5V81 N82 D85 G138 T140V81-S87 CarbonylContact C-O 3.55Å; V81-S87 WeakPolarHBondContact CA-O 3.22Å; N82-S87 PolarHBondContact N-O 3.39Å; D85-S87 VanDerWaalsContact CG-OG 3.28Å; D85-S87 PolarHBondContact O-N 3.49Å; D85-S87 VanDerWaalsContact OD1-CB 3.23Å; D85-S87 WeakPolarHBondContact OD1-CB 3.33Å; D85-S87 PolarHBondContact OD1-N 2.82Å; D85-S87 PolarHBondContact OD1-OG 2.7Å; D85-S87 PolarHBondContact OD2-OG 3.47Å; S87-G138 CarbonylContact C-O 3.54Å; S87-G138 WeakPolarHBondContact CA-O 3.44Å; S87-G138 WeakPolarHBondContact CB-O 3.43Å; S87-T140 WeakPolarHBondContact OG-CB 3.3Å; S87-T140 PolarHBondContact OG-OG1 3.47Å
88I98.4Very high96.4Very high2 Ų235.5 Ų35.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-83.3143.1164.367.6172.4000109.8M79 V80 V81 F122 Q125 V126 G138 I139 T140M79-I88 HydrophobicContact SD-CG2 3.98Å; V80-I88 CarbonylContact O-C 3.56Å; V80-I88 WeakPolarHBondContact O-CA 3.41Å; V81-I88 HydrophobicContact CG2-CG2 4.49Å; I88-F122 HydrophobicContact CD1-CB 4Å; I88-F122 HydrophobicContact CD1-CD1 4.33Å; I88-F122 WeakPolarHBondContact CD1-O 3.39Å; I88-Q125 HydrophobicContact CD1-CB 3.84Å; I88-V126 HydrophobicContact CD1-CG2 3.77Å; I88-V126 HydrophobicContact CG1-CG2 3.76Å; I88-G138 PolarHBondContact N-O 3.08Å; I88-I139 HydrophobicContact CD1-CG1 4.28Å; I88-I139 HydrophobicContact CG1-CG1 4Å; I88-I139 CarbonylContact O-C 3.42Å; I88-I139 WeakPolarHBondContact O-CA 3.44Å; I88-T140 PolarHBondContact O-N 2.77Å
89V98.6Very high96.3Very high6 Ų633.2 Ų33.24%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-94.5130.1179-178.90000109.9V80 N82 I91 T140 I226 A230 W239V80-V89 HydrophobicContact CG1-CB 4.48Å; V80-V89 PolarHBondContact O-N 3.31Å; N82-V89 HydrophobicContact CB-CG2 3.79Å; V89-I91 HydrophobicContact CG1-CD1 3.73Å; V89-I91 HydrophobicContact CG1-CG1 4.47Å; V89-T140 WeakPolarHBondContact CA-O 3.37Å; V89-T140 HydrophobicContact CG2-CG2 4.49Å; V89-I226 HydrophobicContact CG2-CG2 3.84Å; V89-A230 WeakPolarHBondContact CB-O 3.31Å; V89-A230 WeakPolarHBondContact CG1-O 3.38Å; V89-A230 HydrophobicContact CG2-CB 3.87Å; V89-A230 WeakPolarHBondContact CG2-O 3.38Å; V89-W239 HydrophobicContact CG1-CZ3 4.3Å
90V98.6Very high96.3Very high3 Ų335 Ų352%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-126.2130.9174.5179.60000109I74 F122 I139 T140 L141 I142I74-V90 HydrophobicContact CD1-CG1 4Å; I74-V90 HydrophobicContact CG1-CG1 4.03Å; V90-F122 HydrophobicContact CB-CZ 4.4Å; V90-F122 HydrophobicContact CG1-CD2 4.41Å; V90-F122 HydrophobicContact CG1-CE1 4.18Å; V90-F122 HydrophobicContact CG1-CE2 3.67Å; V90-F122 HydrophobicContact CG1-CZ 3.54Å; V90-F122 HydrophobicContact CG2-CD1 3.72Å; V90-F122 HydrophobicContact CG2-CD2 4.1Å; V90-F122 HydrophobicContact CG2-CE1 3.71Å; V90-F122 HydrophobicContact CG2-CE2 4.07Å; V90-F122 HydrophobicContact CG2-CG 3.94Å; V90-F122 HydrophobicContact CG2-CZ 3.89Å; V90-I139 HydrophobicContact CB-CG2 4.2Å; V90-I139 HydrophobicContact CG2-CG2 3.94Å; V90-T140 PolarHBondContact N-O 3.16Å; V90-L141 HydrophobicContact CB-CD1 3.89Å; V90-L141 HydrophobicContact CG1-CD1 3.79Å; V90-L141 CarbonylContact O-C 3.49Å; V90-L141 WeakPolarHBondContact O-CA 3.2Å; V90-I142 PolarHBondContact O-N 2.7Å
91I98.4Very high96.2Very high0 Ų037.3 Ų37.30%020%0.197CC..EExtended strand (participates in β ladder)trans-112.5126.8178.1-45.4-61.5000108.3I74 S75 V89 I142 P232 Y235 W239 C252I74-I91 CarbonylContact C-O 3.58Å; I74-I91 VanDerWaalsContact CA-O 3.27Å; I74-I91 WeakPolarHBondContact CA-O 3.48Å; I74-I91 WeakPolarHBondContact CG1-O 3.39Å; S75-I91 PolarHBondContact N-O 3.18Å; S75-I91 PolarHBondContact OG-N 3.22Å; S75-I91 PolarHBondContact OG-O 3.48Å; V89-I91 HydrophobicContact CG1-CD1 3.73Å; V89-I91 HydrophobicContact CG1-CG1 4.47Å; I91-I142 HydrophobicContact CD1-CB 3.76Å; I91-I142 HydrophobicContact CD1-CD1 3.52Å; I91-I142 HydrophobicContact CD1-CG1 3.72Å; I91-P232 HydrophobicContact CD1-CG 4.21Å; I91-P232 HydrophobicContact CG1-CG 3.88Å; I91-Y235 HydrophobicContact CG2-CE2 3.62Å; I91-Y235 VanDerWaalsContact CG2-OH 3.26Å; I91-Y235 WeakPolarHBondContact CG2-OH 3.45Å; I91-W239 HydrophobicContact CG1-CH2 4.44Å; I91-W239 HydrophobicContact CG1-CZ3 3.94Å; I91-C252 VanDerWaalsContact CG2-SG 3.53Å
92N97.9Very high96.1Very high23 Ų2336.1 Ų36.112%0.12319%0.19CC..EExtended strand (participates in β ladder)trans-125.7117.9174.3-17723.8000109.5S73 I74 I142 Y143 D144S73-N92 PolarHBondContact O-OD1 2.9Å; I74-N92 HydrophobicContact CD1-CB 4.42Å; I74-N92 HydrophobicContact CG1-CB 4.22Å; N92-I142 PolarHBondContact N-O 2.95Å; N92-Y143 HydrophobicContact CB-CD1 3.63Å; N92-Y143 HydrophobicContact CB-CE1 3.56Å; N92-Y143 WeakPolarHBondContact ND2-CE1 2.92Å; N92-Y143 VanDerWaalsContact ND2-CZ 3.28Å; N92-Y143 PolarHBondContact ND2-OH 3.32Å; N92-Y143 WeakPolarHBondContact O-CA 3.24Å; N92-D144 PolarHBondContact O-N 3.31Å
93R97.1Very high95.9Very high55 Ų5536.3 Ų36.321%0.20819%0.191CC..EExtended strand (participates in β ladder)trans-96.7122.8176.9-58.2-177.271.9-152-0.6109S73 D144S73-R93 PolarHBondContact O-N 3.47Å; R93-D144 HydrophobicContact CB-CB 4.5Å; R93-D144 HydrophobicContact CG-CB 4.1Å; R93-D144 IonicContact NE-OD2 2.74Å; R93-D144 PolarHBondContact NE-OD2 2.95Å
94L94.3Very high95.8Very high13 Ų1330.6 Ų30.67%0.06817%0.166CC..  trans-87.5-33.8-176.8-58.4178.3000111.8H99 Y143 D144 Y145 F148L94-H99 PolarHBondContact O-NE2 3.46Å; L94-Y143 HydrophobicContact CD1-CD2 3.93Å; L94-Y143 HydrophobicContact CD2-CD2 4.19Å; L94-Y143 HydrophobicContact CD2-CE2 4.23Å; L94-Y143 HydrophobicContact CG-CD2 4.35Å; L94-D144 PolarHBondContact N-O 3.32Å; L94-Y145 HydrophobicContact CD1-CD1 3.85Å; L94-Y145 HydrophobicContact CD1-CD2 4.1Å; L94-Y145 HydrophobicContact CD1-CE1 3.52Å; L94-Y145 HydrophobicContact CD1-CE2 3.81Å; L94-Y145 HydrophobicContact CD1-CG 4.11Å; L94-Y145 VanDerWaalsContact CD1-CZ 3.5Å; L94-F148 HydrophobicContact CB-CB 3.96Å; L94-F148 HydrophobicContact CB-CD1 3.98Å; L94-F148 HydrophobicContact CB-CD2 3.69Å; L94-F148 HydrophobicContact CB-CE1 4.34Å; L94-F148 HydrophobicContact CB-CE2 4.12Å; L94-F148 HydrophobicContact CB-CG 3.61Å; L94-F148 HydrophobicContact CB-CZ 4.42Å; L94-F148 HydrophobicContact CD1-CD1 3.98Å; L94-F148 HydrophobicContact CD1-CE1 4.03Å; L94-F148 HydrophobicContact CD1-CG 4.46Å; L94-F148 WeakPolarHBondContact O-CD2 3.13Å
95G92.8Very high95.8Very high8 Ų825.8 Ų25.88%0.08215%0.145CC..THydrogen-bonded Turntrans-74.9161.2175.100000113V97 E146G95-V97 PolarHBondContact O-N 2.83Å; G95-V97 VanDerWaalsContact O-N 3.15Å; G95-E146 VanDerWaalsContact CA-O 3.27Å; G95-E146 WeakPolarHBondContact CA-O 3.41Å
96G91.5Very high95.8Very high64 Ų6423.4 Ų23.466%0.6613%0.133SC*.THydrogen-bonded Turntrans76.3-14.4-173.700000114.3N255G96-N255 PolarHBondContact O-ND2 3.45Å
97V94.2Very high95.7Very high12 Ų1222.6 Ų22.67%0.07313%0.128CC..  trans-101124.7175.4177.10000110.2L71 G95 H99 V102 N255L71-V97 VanDerWaalsContact O-CG1 3.23Å; L71-V97 WeakPolarHBondContact O-CG1 3.22Å; G95-V97 PolarHBondContact O-N 2.83Å; G95-V97 VanDerWaalsContact O-N 3.15Å; V97-H99 PolarHBondContact O-CD2 3.28Å; V97-H99 PolarHBondContact O-N 3.23Å; V97-V102 HydrophobicContact CG1-CG2 4.07Å; V97-N255 HydrophobicContact CG2-CB 4.16Å
98D93.2Very high95.6Very high60 Ų6022.9 Ų22.932%0.32113%0.13SC..  trans-85.485.6170.8-173.3-29.3000109.3H100 K101 V102D98-H100 PolarHBondContact O-N 2.79Å; D98-H100 WeakPolarHBondContact OD1-CB 3.38Å; D98-H100 PolarHBondContact OD1-N 2.91Å; D98-K101 HydrophobicContact CB-CB 4.11Å; D98-K101 HydrophobicContact CB-CD 4.23Å; D98-K101 HydrophobicContact CB-CG 4.31Å; D98-K101 VanDerWaalsContact CG-CG 3.43Å; D98-K101 PolarHBondContact O-N 2.99Å; D98-K101 VanDerWaalsContact O-N 3.09Å; D98-K101 WeakPolarHBondContact OD1-CG 3.41Å; D98-K101 PolarHBondContact OD1-N 3.26Å; D98-K101 WeakPolarHBondContact OD2-CD 3.2Å; D98-K101 WeakPolarHBondContact OD2-CE 3.38Å; D98-K101 VanDerWaalsContact OD2-CG 3.26Å; D98-K101 WeakPolarHBondContact OD2-CG 3.24Å; D98-K101 IonicContact OD2-NZ 2.76Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 3.32Å
99H92.9Very high95.5Very high36 Ų3623.1 Ų23.117%0.16713%0.131CC..Hα-helixtrans-68.3-19.1-175.1-47.6-106.3000112.7L94 V97 T103 F148 Y153 T160L94-H99 PolarHBondContact O-NE2 3.46Å; V97-H99 PolarHBondContact O-CD2 3.28Å; V97-H99 PolarHBondContact O-N 3.23Å; H99-T103 WeakPolarHBondContact O-CG2 3.46Å; H99-T103 PolarHBondContact O-N 3.37Å; H99-F148 AromaticContact CD2-CE2 3.64Å; H99-F148 AromaticContact NE2-CE2 3.7Å; H99-Y153 HydrophobicContact CB-CE1 4.03Å; H99-Y153 WeakPolarHBondContact CB-OH 3.3Å; H99-Y153 AromaticContact CD2-CZ 3.94Å; H99-Y153 PolarHBondContact CD2-OH 2.95Å; H99-T160 HydrophobicContact CB-CG2 3.86Å
100H93Very high95.5Very high76 Ų7624.7 Ų24.735%0.35214%0.138SC..Hα-helixtrans-66.4-47.5170.1-18056.7000110.4D98 V102 T103 L104D98-H100 PolarHBondContact O-N 2.79Å; D98-H100 WeakPolarHBondContact OD1-CB 3.38Å; D98-H100 PolarHBondContact OD1-N 2.91Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.09Å; H100-T103 PolarHBondContact O-N 2.74Å; H100-T103 VanDerWaalsContact O-N 3.09Å; H100-T103 PolarHBondContact O-OG1 3.44Å; H100-L104 PolarHBondContact O-N 3.4Å
101K95Very high95.4Very high65 Ų6524.8 Ų24.828%0.28314%0.138SC..Hα-helixtrans-66.8-29.2175.6-70.4-175.2-174.1177.90113.5D98 T103 L104 A105 I258 Y263D98-K101 HydrophobicContact CB-CB 4.11Å; D98-K101 HydrophobicContact CB-CD 4.23Å; D98-K101 HydrophobicContact CB-CG 4.31Å; D98-K101 VanDerWaalsContact CG-CG 3.43Å; D98-K101 PolarHBondContact O-N 2.99Å; D98-K101 VanDerWaalsContact O-N 3.09Å; D98-K101 WeakPolarHBondContact OD1-CG 3.41Å; D98-K101 PolarHBondContact OD1-N 3.26Å; D98-K101 WeakPolarHBondContact OD2-CD 3.2Å; D98-K101 WeakPolarHBondContact OD2-CE 3.38Å; D98-K101 VanDerWaalsContact OD2-CG 3.26Å; D98-K101 WeakPolarHBondContact OD2-CG 3.24Å; D98-K101 IonicContact OD2-NZ 2.76Å; K101-T103 PolarHBondContact O-N 2.89Å; K101-L104 CarbonylContact O-C 3.6Å; K101-L104 WeakPolarHBondContact O-CA 3.43Å; K101-L104 WeakPolarHBondContact O-CB 3.47Å; K101-L104 PolarHBondContact O-N 2.79Å; K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 2.79Å; K101-I258 HydrophobicContact CB-CB 3.81Å; K101-I258 HydrophobicContact CB-CD1 3.96Å; K101-I258 HydrophobicContact CB-CG1 4.45Å; K101-I258 HydrophobicContact CB-CG2 3.74Å; K101-I258 HydrophobicContact CD-CB 4.07Å; K101-I258 HydrophobicContact CD-CG2 4.46Å; K101-I258 WeakPolarHBondContact CD-O 3.43Å; K101-I258 PolarHBondContact NZ-O 3.09Å; K101-Y263 HydrophobicContact CB-CE1 4.12Å; K101-Y263 HydrophobicContact CD-CE1 4.34Å; K101-Y263 WeakPolarHBondContact CD-OH 3.46Å; K101-Y263 WeakPolarHBondContact CE-OH 3.22Å; K101-Y263 HydrophobicContact CG-CE1 4.09Å; K101-Y263 WeakPolarHBondContact CG-OH 3.39Å
102V95.8Very high95.4Very high6 Ų625 Ų254%0.03614%0.139CC..Hα-helixtrans-56-41.9169.6176.50000110.7L71 V97 D98 H100 L104 A105 T106 L111 I258L71-V102 HydrophobicContact CB-CG2 4.04Å; V97-V102 HydrophobicContact CG1-CG2 4.07Å; D98-V102 WeakPolarHBondContact O-CG2 3.41Å; D98-V102 PolarHBondContact O-N 3.32Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.09Å; V102-L104 PolarHBondContact O-N 3.4Å; V102-A105 PolarHBondContact O-N 3.26Å; V102-T106 PolarHBondContact O-N 2.97Å; V102-T106 PolarHBondContact O-OG1 3.35Å; V102-L111 HydrophobicContact CG1-CD1 4.04Å; V102-I258 HydrophobicContact CB-CD1 4.36Å; V102-I258 HydrophobicContact CG2-CD1 3.45Å; V102-I258 VanDerWaalsContact CG2-CD1 3.45Å
103T95Very high95.4Very high5 Ų523.9 Ų23.93%0.03113%0.134CC..Hα-helixtrans-73-15.1177.171.40000114H99 H100 K101 L111 T160 L163 H331H99-T103 WeakPolarHBondContact O-CG2 3.46Å; H99-T103 PolarHBondContact O-N 3.37Å; H100-T103 PolarHBondContact O-N 2.74Å; H100-T103 VanDerWaalsContact O-N 3.09Å; H100-T103 PolarHBondContact O-OG1 3.44Å; K101-T103 PolarHBondContact O-N 2.89Å; T103-L111 HydrophobicContact CG2-CD2 4.24Å; T103-T160 HydrophobicContact CG2-CG2 4.31Å; T103-L163 HydrophobicContact CG2-CD1 3.66Å; T103-H331 PolarHBondContact OG1-NE2 2.91Å
104L96Very high95.4Very high29 Ų2921.7 Ų21.715%0.15213%0.125CC..Hα-helixtrans-87.7-27.9171.9-57178.7000112H100 K101 V102 Y263 F264 L335H100-L104 PolarHBondContact O-N 3.4Å; K101-L104 CarbonylContact O-C 3.6Å; K101-L104 WeakPolarHBondContact O-CA 3.43Å; K101-L104 WeakPolarHBondContact O-CB 3.47Å; K101-L104 PolarHBondContact O-N 2.79Å; V102-L104 PolarHBondContact O-N 3.4Å; L104-Y263 HydrophobicContact CB-CD1 3.66Å; L104-Y263 HydrophobicContact CB-CD2 4.36Å; L104-Y263 HydrophobicContact CB-CE1 3.84Å; L104-Y263 HydrophobicContact CB-CG 3.97Å; L104-Y263 HydrophobicContact CD1-CD2 4.48Å; L104-Y263 HydrophobicContact CD1-CE1 4.12Å; L104-Y263 HydrophobicContact CD1-CE2 3.97Å; L104-Y263 WeakPolarHBondContact O-CA 3.27Å; L104-F264 PolarHBondContact O-N 2.75Å; L104-L335 HydrophobicContact CB-CD1 4.41Å; L104-L335 HydrophobicContact CD2-CD1 3.47Å; L104-L335 VanDerWaalsContact CD2-CD1 3.47Å
105A96.3Very high95.6Very high4 Ų423.3 Ų23.33%0.03313%0.131CC..Hα-helixtrans-86.6-8.1-179.200000114.7K67 L71 K101 V102 I258 L262K67-A105 WeakPolarHBondContact CE-O 3.33Å; L71-A105 HydrophobicContact CD1-CB 3.98Å; K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 2.79Å; V102-A105 PolarHBondContact O-N 3.26Å; A105-I258 HydrophobicContact CB-CG2 4.07Å; A105-L262 WeakPolarHBondContact CA-O 3.34Å; A105-L262 HydrophobicContact CB-CB 4.43Å; A105-L262 WeakPolarHBondContact CB-O 3.43Å
106T96Very high95.8Very high2 Ų222.9 Ų22.91%0.01213%0.127CC..SBendtrans-131.1150.6-175.157.80000111.1V68 L71 V102 E110V68-T106 HydrophobicContact CG2-CG2 3.77Å; L71-T106 HydrophobicContact CD1-CG2 4.49Å; V102-T106 PolarHBondContact O-N 2.97Å; V102-T106 PolarHBondContact O-OG1 3.35Å; T106-E110 WeakPolarHBondContact CA-OE2 3.23Å
107T96.2Very high96.2Very high5 Ų519.9 Ų19.93%0.03110%0.096CC..  trans-72.2156.5161.272.10000109.7R109 E110 L111 F264T107-R109 PolarHBondContact O-N 3.37Å; T107-E110 PolarHBondContact N-OE2 3.32Å; T107-E110 PolarHBondContact O-N 3.47Å; T107-E110 VanDerWaalsContact O-N 3.12Å; T107-E110 VanDerWaalsContact OG1-CG 3.25Å; T107-E110 WeakPolarHBondContact OG1-CG 3.18Å; T107-E110 PolarHBondContact OG1-N 2.71Å; T107-E110 VanDerWaalsContact OG1-N 3.13Å; T107-L111 PolarHBondContact O-N 3.44Å; T107-L111 VanDerWaalsContact O-N 3.17Å; T107-F264 HydrophobicContact CG2-CD1 4.42Å; T107-F264 HydrophobicContact CG2-CD2 3.69Å; T107-F264 HydrophobicContact CG2-CE1 4.18Å; T107-F264 HydrophobicContact CG2-CE2 3.41Å; T107-F264 VanDerWaalsContact CG2-CE2 3.41Å; T107-F264 HydrophobicContact CG2-CG 4.19Å; T107-F264 HydrophobicContact CG2-CZ 3.68Å
108P96.5Very high96.3Very high6 Ų619.8 Ų19.84%0.03910%0.095CC..Hα-helixtrans-50.4-43.3172-32.640.1000113.8L112 L163 I327 C328 T329P108-L112 VanDerWaalsContact O-CG 3.24Å; P108-L112 WeakPolarHBondContact O-CG 3.46Å; P108-L112 PolarHBondContact O-N 2.95Å; P108-L112 VanDerWaalsContact O-N 3.08Å; P108-L163 HydrophobicContact CB-CD2 3.75Å; P108-L163 HydrophobicContact CG-CD2 4.26Å; P108-I327 HydrophobicContact CB-CG2 3.78Å; P108-C328 VanDerWaalsContact CB-O 3.26Å; P108-C328 WeakPolarHBondContact CB-O 3.5Å; P108-C328 WeakPolarHBondContact CG-O 3.29Å; P108-T329 HydrophobicContact CG-CG2 4.3Å
109R97.1Very high96.6Very high8 Ų817.3 Ų17.33%0.038%0.082CC..Hα-helixtrans-63.3-46175.8173.884.176-174.69.6112.5T107 L111 L112 M113 F308 P323 I327 E337T107-R109 PolarHBondContact O-N 3.37Å; R109-L111 VanDerWaalsContact C-N 3.26Å; R109-L111 PolarHBondContact O-N 3.38Å; R109-L112 PolarHBondContact O-N 3.1Å; R109-M113 HydrophobicContact CG-CG 3.98Å; R109-M113 VanDerWaalsContact O-CB 3.28Å; R109-M113 WeakPolarHBondContact O-CB 3.41Å; R109-M113 VanDerWaalsContact O-CG 3.28Å; R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.18Å; R109-F308 PolarHBondContact NH1-O 3.34Å; R109-F308 PolarHBondContact NH2-O 2.72Å; R109-P323 PolarHBondContact NH1-O 3.28Å; R109-I327 HydrophobicContact CB-CD1 4.22Å; R109-I327 VanDerWaalsContact CZ-CD1 3.41Å; R109-E337 WeakPolarHBondContact CB-OE1 3.46Å; R109-E337 WeakPolarHBondContact CB-OE2 3.14Å; R109-E337 PolarHBondContact N-OE2 2.9Å; R109-E337 IonicContact NE-OE1 2.73Å
110E97.2Very high96.8Very high39 Ų3915.6 Ų15.618%0.1827%0.074CC..Hα-helixtrans-58.1-42.9-178.6-75.5171153.100111.4Y64 K67 T106 T107 F114Y64-E110 HydrophobicContact CD1-CB 4.45Å; Y64-E110 HydrophobicContact CD1-CG 4.35Å; Y64-E110 HydrophobicContact CE1-CG 4.4Å; K67-E110 WeakPolarHBondContact CD-OE1 3.18Å; K67-E110 VanDerWaalsContact CE-OE2 3.27Å; K67-E110 WeakPolarHBondContact CE-OE2 3.48Å; K67-E110 IonicContact NZ-OE1 3.53Å; K67-E110 PolarHBondContact NZ-OE1 2.73Å; K67-E110 IonicContact NZ-OE2 2.69Å; K67-E110 PolarHBondContact NZ-OE2 3.07Å; T106-E110 WeakPolarHBondContact CA-OE2 3.23Å; T107-E110 PolarHBondContact N-OE2 3.32Å; T107-E110 PolarHBondContact O-N 3.47Å; T107-E110 VanDerWaalsContact O-N 3.12Å; T107-E110 VanDerWaalsContact OG1-CG 3.25Å; T107-E110 WeakPolarHBondContact OG1-CG 3.18Å; T107-E110 PolarHBondContact OG1-N 2.71Å; T107-E110 VanDerWaalsContact OG1-N 3.13Å; E110-F114 WeakPolarHBondContact O-CB 3.31Å; E110-F114 PolarHBondContact O-N 2.93Å
111L97Very high97Very high4 Ų412.1 Ų12.12%0.0216%0.058CC..Hα-helixtrans-67.9-42.1177.6-174.356.9000112.3V68 V102 T103 T107 R109 F114 Y115 L163V68-L111 HydrophobicContact CG1-CD1 4.05Å; V102-L111 HydrophobicContact CG1-CD1 4.04Å; T103-L111 HydrophobicContact CG2-CD2 4.24Å; T107-L111 PolarHBondContact O-N 3.44Å; T107-L111 VanDerWaalsContact O-N 3.17Å; R109-L111 VanDerWaalsContact C-N 3.26Å; R109-L111 PolarHBondContact O-N 3.38Å; L111-F114 HydrophobicContact CD1-CD1 4.36Å; L111-F114 WeakPolarHBondContact O-CB 3.4Å; L111-F114 PolarHBondContact O-N 3.49Å; L111-Y115 HydrophobicContact CD1-CE1 4.05Å; L111-Y115 HydrophobicContact CD1-CE2 4.12Å; L111-Y115 HydrophobicContact CD2-CE2 4.36Å; L111-Y115 HydrophobicContact CG-CD2 4.47Å; L111-Y115 HydrophobicContact CG-CE2 3.79Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 PolarHBondContact O-N 2.75Å; L111-L163 HydrophobicContact CD2-CB 4.06Å; L111-L163 HydrophobicContact CD2-CD1 4.2Å
112L97.7Very high97.2Very high4 Ų49.7 Ų9.72%0.0215%0.048CC..Hα-helixtrans-67.3-38176.9-68.8170.8000112.4P108 R109 F114 Y115 F116 L166 L325 V326 I327P108-L112 VanDerWaalsContact O-CG 3.24Å; P108-L112 WeakPolarHBondContact O-CG 3.46Å; P108-L112 PolarHBondContact O-N 2.95Å; P108-L112 VanDerWaalsContact O-N 3.08Å; R109-L112 PolarHBondContact O-N 3.1Å; L112-F114 VanDerWaalsContact C-N 3.35Å; L112-Y115 HydrophobicContact CD2-CD2 4.37Å; L112-Y115 PolarHBondContact O-N 3.41Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 PolarHBondContact O-N 2.78Å; L112-L166 HydrophobicContact CD2-CB 3.75Å; L112-L325 HydrophobicContact CB-CD1 4.08Å; L112-V326 WeakPolarHBondContact CD1-O 3.17Å; L112-I327 HydrophobicContact CD1-CG1 3.9Å
113M98Very high97.3Very high1 Ų19.6 Ų9.61%0.0055%0.047CC..Hα-helixtrans-69.1-33.4174.6-74.1-58.9-58.800111.8A48 F50 Y64 R109 F116 A117 P323 L325A48-M113 HydrophobicContact CB-CE 3.74Å; F50-M113 HydrophobicContact CE2-CE 4.34Å; F50-M113 HydrophobicContact CZ-CE 3.87Å; Y64-M113 HydrophobicContact CD1-CB 3.57Å; Y64-M113 HydrophobicContact CD1-CG 4.35Å; Y64-M113 HydrophobicContact CD2-CB 3.64Å; Y64-M113 HydrophobicContact CD2-CE 4.09Å; Y64-M113 HydrophobicContact CD2-CG 4.39Å; Y64-M113 HydrophobicContact CE1-CB 3.67Å; Y64-M113 HydrophobicContact CE1-CG 3.94Å; Y64-M113 HydrophobicContact CE2-CB 3.75Å; Y64-M113 HydrophobicContact CE2-CE 3.56Å; Y64-M113 HydrophobicContact CE2-CG 3.99Å; Y64-M113 HydrophobicContact CG-CB 3.54Å; R109-M113 HydrophobicContact CG-CG 3.98Å; R109-M113 VanDerWaalsContact O-CB 3.28Å; R109-M113 WeakPolarHBondContact O-CB 3.41Å; R109-M113 VanDerWaalsContact O-CG 3.28Å; R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.18Å; M113-F116 HydrophobicContact CE-CD1 4.47Å; M113-F116 PolarHBondContact O-N 2.86Å; M113-F116 HydrophobicContact SD-CD1 4.28Å; M113-A117 VanDerWaalsContact O-CB 3.25Å; M113-A117 WeakPolarHBondContact O-CB 3.33Å; M113-A117 PolarHBondContact O-N 3.27Å; M113-P323 HydrophobicContact CE-CG 4.15Å; M113-P323 HydrophobicContact SD-CB 4.29Å; M113-P323 HydrophobicContact SD-CG 4.01Å; M113-L325 HydrophobicContact CG-CD1 4.25Å; M113-L325 HydrophobicContact SD-CD1 3.69Å
114F98.2Very high97.4Very high8 Ų810.4 Ų10.44%0.0355%0.05CC..Hα-helixtrans-61.4-47.5169.1167.3-101.6000111.4I65 V68 L69 T72 E110 L111 L112 F116 A117 I118I65-F114 HydrophobicContact CD1-CD2 3.78Å; I65-F114 HydrophobicContact CD1-CE2 4.02Å; V68-F114 HydrophobicContact CB-CB 3.82Å; V68-F114 HydrophobicContact CB-CD1 4.16Å; V68-F114 HydrophobicContact CB-CD2 3.56Å; V68-F114 HydrophobicContact CB-CE2 4.14Å; V68-F114 HydrophobicContact CB-CG 3.57Å; V68-F114 HydrophobicContact CG1-CB 3.99Å; V68-F114 HydrophobicContact CG1-CD1 3.56Å; V68-F114 HydrophobicContact CG1-CD2 3.87Å; V68-F114 HydrophobicContact CG1-CE1 3.94Å; V68-F114 HydrophobicContact CG1-CE2 4.22Å; V68-F114 HydrophobicContact CG1-CG 3.51Å; V68-F114 HydrophobicContact CG1-CZ 4.25Å; V68-F114 HydrophobicContact CG2-CB 3.92Å; V68-F114 HydrophobicContact CG2-CG 4.24Å; L69-F114 HydrophobicContact CB-CE2 4.07Å; L69-F114 HydrophobicContact CD1-CE2 4.43Å; T72-F114 HydrophobicContact CG2-CE1 3.99Å; T72-F114 HydrophobicContact CG2-CZ 3.95Å; E110-F114 WeakPolarHBondContact O-CB 3.31Å; E110-F114 PolarHBondContact O-N 2.93Å; L111-F114 HydrophobicContact CD1-CD1 4.36Å; L111-F114 WeakPolarHBondContact O-CB 3.4Å; L111-F114 PolarHBondContact O-N 3.49Å; L112-F114 VanDerWaalsContact C-N 3.35Å; F114-F116 VanDerWaalsContact C-N 3.31Å; F114-F116 PolarHBondContact O-N 3.08Å; F114-A117 PolarHBondContact O-N 3.42Å; F114-I118 HydrophobicContact CE1-CD1 4.49Å; F114-I118 HydrophobicContact CE2-CD1 3.98Å; F114-I118 HydrophobicContact CZ-CD1 3.7Å; F114-I118 WeakPolarHBondContact O-CB 3.33Å; F114-I118 PolarHBondContact O-N 3.4Å
115Y97.7Very high97.5Very high47 Ų479.3 Ų9.318%0.1844%0.044CC..Hα-helixtrans-60.8-41.5175.2-63-34.8000112.1L111 L112 I118 A119 L171L111-Y115 HydrophobicContact CD1-CE1 4.05Å; L111-Y115 HydrophobicContact CD1-CE2 4.12Å; L111-Y115 HydrophobicContact CD2-CE2 4.36Å; L111-Y115 HydrophobicContact CG-CD2 4.47Å; L111-Y115 HydrophobicContact CG-CE2 3.79Å; L111-Y115 WeakPolarHBondContact O-CD2 3.43Å; L111-Y115 PolarHBondContact O-N 2.75Å; L112-Y115 HydrophobicContact CD2-CD2 4.37Å; L112-Y115 PolarHBondContact O-N 3.41Å; Y115-I118 WeakPolarHBondContact O-CG2 3.29Å; Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.58Å; Y115-A119 VanDerWaalsContact O-N 3.07Å; Y115-L171 WeakPolarHBondContact O-CD2 3.26Å
116F98Very high97.6Very high0 Ų09.1 Ų9.10%04%0.043CC..Hα-helixtrans-63.9-47.9177.4-165.6-168.8000111.1Y41 N44 R45 A48 F50 L112 M113 F114 I118 A119 E120 L170 Y174 Y175Y41-F116 HydrophobicContact CD2-CE2 4.5Å; Y41-F116 HydrophobicContact CE2-CE2 4.26Å; N44-F116 HydrophobicContact CB-CE1 4.07Å; N44-F116 HydrophobicContact CB-CZ 4.26Å; R45-F116 HydrophobicContact CB-CZ 4.45Å; A48-F116 HydrophobicContact CB-CD1 4.36Å; A48-F116 HydrophobicContact CB-CE1 3.99Å; F50-F116 HydrophobicContact CD2-CD1 4.16Å; F50-F116 HydrophobicContact CD2-CD2 4.05Å; F50-F116 HydrophobicContact CD2-CE1 4.09Å; F50-F116 AromaticContact CD2-CE2 3.99Å; F50-F116 HydrophobicContact CD2-CE2 3.99Å; F50-F116 HydrophobicContact CD2-CG 4.14Å; F50-F116 HydrophobicContact CD2-CZ 4.02Å; F50-F116 HydrophobicContact CE2-CB 3.89Å; F50-F116 AromaticContact CE2-CD1 3.61Å; F50-F116 HydrophobicContact CE2-CD1 3.61Å; F50-F116 AromaticContact CE2-CD2 3.83Å; F50-F116 HydrophobicContact CE2-CD2 3.83Å; F50-F116 AromaticContact CE2-CE1 4Å; F50-F116 HydrophobicContact CE2-CE1 4Å; F50-F116 HydrophobicContact CE2-CE2 4.21Å; F50-F116 AromaticContact CE2-CG 3.51Å; F50-F116 HydrophobicContact CE2-CG 3.51Å; F50-F116 HydrophobicContact CE2-CZ 4.29Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 PolarHBondContact O-N 2.78Å; M113-F116 HydrophobicContact CE-CD1 4.47Å; M113-F116 PolarHBondContact O-N 2.86Å; M113-F116 HydrophobicContact SD-CD1 4.28Å; F114-F116 VanDerWaalsContact C-N 3.31Å; F114-F116 PolarHBondContact O-N 3.08Å; F116-I118 PolarHBondContact O-N 3.4Å; F116-A119 PolarHBondContact O-N 2.97Å; F116-E120 WeakPolarHBondContact O-CB 3.5Å; F116-E120 PolarHBondContact O-N 3.46Å; F116-L170 HydrophobicContact CB-CD2 4.02Å; F116-L170 HydrophobicContact CG-CD2 4.38Å; F116-Y174 AromaticContact CE2-CD2 3.95Å; F116-Y174 HydrophobicContact CE2-CD2 3.95Å; F116-Y174 HydrophobicContact CE2-CE2 4.35Å; F116-Y174 HydrophobicContact CZ-CD2 4.19Å; F116-Y174 HydrophobicContact CZ-CE2 4.15Å; F116-Y175 HydrophobicContact CD2-CE2 4.34Å; F116-Y175 VanDerWaalsContact CD2-OH 3.27Å; F116-Y175 WeakPolarHBondContact CD2-OH 3.01Å; F116-Y175 VanDerWaalsContact CE2-OH 3.23Å; F116-Y175 WeakPolarHBondContact CE2-OH 3.33Å
117A98.4Very high97.7Very high0 Ų09.8 Ų9.80%05%0.046CC..Hα-helixtrans-60.9-43.317900000112.5F50 F55 I65 M113 F114 E120 Y121F50-A117 HydrophobicContact CE1-CB 3.97Å; F50-A117 HydrophobicContact CE2-CB 4.23Å; F50-A117 VanDerWaalsContact CZ-CA 3.43Å; F50-A117 HydrophobicContact CZ-CB 3.5Å; F55-A117 HydrophobicContact CZ-CB 4.45Å; F55-A117 WeakPolarHBondContact CZ-O 3.32Å; I65-A117 HydrophobicContact CD1-CB 3.67Å; I65-A117 HydrophobicContact CG1-CB 4.03Å; M113-A117 VanDerWaalsContact O-CB 3.25Å; M113-A117 WeakPolarHBondContact O-CB 3.33Å; M113-A117 PolarHBondContact O-N 3.27Å; F114-A117 PolarHBondContact O-N 3.42Å; A117-E120 PolarHBondContact O-N 3.3Å; A117-Y121 WeakPolarHBondContact O-CB 3.21Å; A117-Y121 PolarHBondContact O-N 3.01Å
118I97.8Very high97.7Very high10 Ų1012.3 Ų12.35%0.0516%0.058CC..Hα-helixtrans-71.4-37.7-177.5-153.1157.2000111.8F59 I65 I74 T76 F114 Y115 F116 Y121 F122F59-I118 HydrophobicContact CZ-CG1 4.18Å; I65-I118 HydrophobicContact CD1-CB 4.49Å; I74-I118 HydrophobicContact CD1-CD1 3.78Å; I74-I118 HydrophobicContact CD1-CG1 4.43Å; I74-I118 HydrophobicContact CG2-CD1 3.68Å; T76-I118 HydrophobicContact CG2-CD1 4.38Å; F114-I118 HydrophobicContact CE1-CD1 4.49Å; F114-I118 HydrophobicContact CE2-CD1 3.98Å; F114-I118 HydrophobicContact CZ-CD1 3.7Å; F114-I118 WeakPolarHBondContact O-CB 3.33Å; F114-I118 PolarHBondContact O-N 3.4Å; Y115-I118 WeakPolarHBondContact O-CG2 3.29Å; F116-I118 PolarHBondContact O-N 3.4Å; I118-Y121 WeakPolarHBondContact O-CB 3.49Å; I118-Y121 PolarHBondContact O-N 2.86Å; I118-F122 HydrophobicContact CD1-CE2 4.41Å; I118-F122 HydrophobicContact CD1-CZ 4.39Å; I118-F122 HydrophobicContact CG1-CD2 4.39Å; I118-F122 HydrophobicContact CG1-CE2 3.65Å; I118-F122 HydrophobicContact CG1-CZ 3.84Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 WeakPolarHBondContact O-CG 3.16Å; I118-F122 PolarHBondContact O-N 3.32Å; I118-F122 VanDerWaalsContact O-N 3.1Å
119A97.7Very high97.8Very high8 Ų813.1 Ų13.17%0.0666%0.061CC..Hα-helixtrans-68.4-39.6175.400000111.7Y115 F116 Y121 F122 Y123 L171 Y175Y115-A119 WeakPolarHBondContact O-CB 3.42Å; Y115-A119 PolarHBondContact O-N 2.58Å; Y115-A119 VanDerWaalsContact O-N 3.07Å; F116-A119 PolarHBondContact O-N 2.97Å; A119-Y121 VanDerWaalsContact C-N 3.31Å; A119-Y121 PolarHBondContact O-N 2.84Å; A119-F122 PolarHBondContact O-N 3.11Å; A119-Y123 VanDerWaalsContact O-CB 3.25Å; A119-Y123 WeakPolarHBondContact O-CB 3.09Å; A119-Y123 PolarHBondContact O-N 2.79Å; A119-L171 HydrophobicContact CB-CD1 4.27Å; A119-L171 HydrophobicContact CB-CD2 3.32Å; A119-L171 HydrophobicContact CB-CG 4.35Å; A119-Y175 HydrophobicContact CB-CD2 3.67Å; A119-Y175 HydrophobicContact CB-CE1 4.47Å; A119-Y175 HydrophobicContact CB-CE2 3.3Å; A119-Y175 HydrophobicContact CB-CG 4.4Å
120E97.9Very high97.8Very high0 Ų013.2 Ų13.20%06%0.062CC..Hα-helixtrans-60.5-43.3172.7-172.669.6-169.200111.8Y41 R45 F50 F55 F116 A117 F122 Y123 Q124 Y175Y41-E120 PolarHBondContact OH-OE2 2.82Å; R45-E120 IonicContact CZ-OE1 2.67Å; R45-E120 IonicContact NE-OE1 2.6Å; R45-E120 PolarHBondContact NE-OE1 3.41Å; R45-E120 IonicContact NH2-OE1 3.1Å; F50-E120 HydrophobicContact CB-CG 3.84Å; F50-E120 HydrophobicContact CD2-CB 3.99Å; F50-E120 HydrophobicContact CD2-CG 4.06Å; F50-E120 HydrophobicContact CG-CB 4.37Å; F50-E120 HydrophobicContact CG-CG 4.04Å; F55-E120 HydrophobicContact CD1-CG 4.2Å; F55-E120 HydrophobicContact CE1-CB 3.95Å; F55-E120 HydrophobicContact CE1-CG 3.7Å; F55-E120 HydrophobicContact CZ-CB 4.23Å; F55-E120 HydrophobicContact CZ-CG 4.27Å; F116-E120 WeakPolarHBondContact O-CB 3.5Å; F116-E120 PolarHBondContact O-N 3.46Å; A117-E120 PolarHBondContact O-N 3.3Å; E120-F122 VanDerWaalsContact C-N 3.33Å; E120-F122 PolarHBondContact O-N 2.69Å; E120-Y123 PolarHBondContact O-N 3.35Å; E120-Q124 HydrophobicContact CG-CG 4.35Å; E120-Q124 WeakPolarHBondContact O-CB 3.32Å; E120-Q124 WeakPolarHBondContact O-CG 3.33Å; E120-Q124 PolarHBondContact O-N 3.26Å; E120-Q124 PolarHBondContact OE1-NE2 3.4Å; E120-Y175 WeakPolarHBondContact CA-OH 3.24Å; E120-Y175 PolarHBondContact N-OH 3.42Å; E120-Y175 PolarHBondContact OE2-OH 3.34Å
121Y98.3Very high97.8Very high3 Ų319.4 Ų19.41%0.0129%0.088CC..Hα-helixtrans-59.9-44178.9174.3-110.9000111.9L56 F59 T76 P78 A117 I118 A119 Q125L56-Y121 HydrophobicContact CD2-CD2 3.51Å; L56-Y121 HydrophobicContact CD2-CE2 3.79Å; L56-Y121 HydrophobicContact CD2-CG 4.45Å; L56-Y121 WeakPolarHBondContact CD2-O 3.32Å; F59-Y121 HydrophobicContact CB-CD2 3.64Å; F59-Y121 HydrophobicContact CB-CE2 3.68Å; F59-Y121 HydrophobicContact CB-CG 4.47Å; F59-Y121 HydrophobicContact CD1-CD1 4.21Å; F59-Y121 AromaticContact CD1-CD2 3.99Å; F59-Y121 HydrophobicContact CD1-CD2 3.99Å; F59-Y121 HydrophobicContact CD1-CE1 4.11Å; F59-Y121 AromaticContact CD1-CE2 3.91Å; F59-Y121 HydrophobicContact CD1-CE2 3.91Å; F59-Y121 HydrophobicContact CD1-CG 4.15Å; F59-Y121 AromaticContact CD1-CZ 3.97Å; F59-Y121 VanDerWaalsContact CD2-CB 3.47Å; F59-Y121 HydrophobicContact CD2-CD1 4.1Å; F59-Y121 AromaticContact CD2-CD2 3.38Å; F59-Y121 HydrophobicContact CD2-CD2 3.38Å; F59-Y121 HydrophobicContact CD2-CE2 4.12Å; F59-Y121 AromaticContact CD2-CG 3.37Å; F59-Y121 HydrophobicContact CD2-CG 3.37Å; F59-Y121 AromaticContact CE1-CD1 3.97Å; F59-Y121 HydrophobicContact CE1-CD1 3.97Å; F59-Y121 HydrophobicContact CE1-CE1 4.04Å; F59-Y121 HydrophobicContact CE1-CG 4.23Å; F59-Y121 AromaticContact CE2-CD1 3.84Å; F59-Y121 HydrophobicContact CE2-CD1 3.84Å; F59-Y121 AromaticContact CE2-CD2 3.97Å; F59-Y121 HydrophobicContact CE2-CD2 3.97Å; F59-Y121 AromaticContact CE2-CG 3.44Å; F59-Y121 HydrophobicContact CE2-CG 3.44Å; F59-Y121 VanDerWaalsContact CE2-CG 3.44Å; F59-Y121 HydrophobicContact CG-CD1 4.26Å; F59-Y121 AromaticContact CG-CD2 3.38Å; F59-Y121 HydrophobicContact CG-CD2 3.38Å; F59-Y121 HydrophobicContact CG-CE1 4.45Å; F59-Y121 AromaticContact CG-CE2 3.63Å; F59-Y121 HydrophobicContact CG-CE2 3.63Å; F59-Y121 AromaticContact CG-CG 3.73Å; F59-Y121 HydrophobicContact CG-CG 3.73Å; F59-Y121 AromaticContact CZ-CD1 3.77Å; F59-Y121 HydrophobicContact CZ-CD1 3.77Å; F59-Y121 HydrophobicContact CZ-CE1 4.31Å; F59-Y121 AromaticContact CZ-CG 3.89Å; F59-Y121 HydrophobicContact CZ-CG 3.89Å; T76-Y121 PolarHBondContact O-OH 3.4Å; P78-Y121 WeakPolarHBondContact CG-OH 3.43Å; A117-Y121 WeakPolarHBondContact O-CB 3.21Å; A117-Y121 PolarHBondContact O-N 3.01Å; I118-Y121 WeakPolarHBondContact O-CB 3.49Å; I118-Y121 PolarHBondContact O-N 2.86Å; A119-Y121 VanDerWaalsContact C-N 3.31Å; A119-Y121 PolarHBondContact O-N 2.84Å; Y121-Q125 WeakPolarHBondContact O-CG 3.4Å; Y121-Q125 PolarHBondContact O-N 2.92Å; Y121-Q125 PolarHBondContact O-NE2 3.06Å
122F98.2Very high97.8Very high15 Ų1526.8 Ų26.87%0.06612%0.116CC..Hα-helixtrans-69.6-41174.6-61.5-40000112I74 I88 V90 I118 A119 E120 Q124 Q125 V126 I139I74-F122 HydrophobicContact CD1-CE2 3.84Å; I74-F122 HydrophobicContact CD1-CZ 3.9Å; I74-F122 HydrophobicContact CG1-CZ 4.36Å; I88-F122 HydrophobicContact CD1-CB 4Å; I88-F122 HydrophobicContact CD1-CD1 4.33Å; I88-F122 WeakPolarHBondContact CD1-O 3.39Å; V90-F122 HydrophobicContact CB-CZ 4.4Å; V90-F122 HydrophobicContact CG1-CD2 4.41Å; V90-F122 HydrophobicContact CG1-CE1 4.18Å; V90-F122 HydrophobicContact CG1-CE2 3.67Å; V90-F122 HydrophobicContact CG1-CZ 3.54Å; V90-F122 HydrophobicContact CG2-CD1 3.72Å; V90-F122 HydrophobicContact CG2-CD2 4.1Å; V90-F122 HydrophobicContact CG2-CE1 3.71Å; V90-F122 HydrophobicContact CG2-CE2 4.07Å; V90-F122 HydrophobicContact CG2-CG 3.94Å; V90-F122 HydrophobicContact CG2-CZ 3.89Å; I118-F122 HydrophobicContact CD1-CE2 4.41Å; I118-F122 HydrophobicContact CD1-CZ 4.39Å; I118-F122 HydrophobicContact CG1-CD2 4.39Å; I118-F122 HydrophobicContact CG1-CE2 3.65Å; I118-F122 HydrophobicContact CG1-CZ 3.84Å; I118-F122 WeakPolarHBondContact O-CD2 3.43Å; I118-F122 WeakPolarHBondContact O-CG 3.16Å; I118-F122 PolarHBondContact O-N 3.32Å; I118-F122 VanDerWaalsContact O-N 3.1Å; A119-F122 PolarHBondContact O-N 3.11Å; E120-F122 VanDerWaalsContact C-N 3.33Å; E120-F122 PolarHBondContact O-N 2.69Å; F122-Q124 PolarHBondContact O-N 2.83Å; F122-Q125 WeakPolarHBondContact O-CB 3.4Å; F122-Q125 PolarHBondContact O-N 3.26Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 2.9Å; F122-I139 HydrophobicContact CB-CD1 3.66Å; F122-I139 HydrophobicContact CB-CG1 4.46Å; F122-I139 HydrophobicContact CG-CD1 4.48Å
123Y97.8Very high97.8Very high4 Ų428.4 Ų28.42%0.01613%0.127CC..Hα-helixtrans-62.4-43.8179.5179.2-133.3000112.5L14 N19 Y41 A119 E120 Q125 V126 L127 Y175 L178L14-Y123 HydrophobicContact CD2-CE1 3.64Å; N19-Y123 PolarHBondContact ND2-OH 3.32Å; N19-Y123 PolarHBondContact OD1-OH 2.76Å; Y41-Y123 WeakPolarHBondContact OH-CD1 3.32Å; Y41-Y123 VanDerWaalsContact OH-CE1 3.23Å; Y41-Y123 WeakPolarHBondContact OH-CE1 3.21Å; A119-Y123 VanDerWaalsContact O-CB 3.25Å; A119-Y123 WeakPolarHBondContact O-CB 3.09Å; A119-Y123 PolarHBondContact O-N 2.79Å; E120-Y123 PolarHBondContact O-N 3.35Å; Y123-Q125 VanDerWaalsContact C-N 3.3Å; Y123-Q125 PolarHBondContact O-N 3Å; Y123-V126 WeakPolarHBondContact O-CA 3.39Å; Y123-V126 WeakPolarHBondContact O-CB 3.12Å; Y123-V126 PolarHBondContact O-N 2.87Å; Y123-V126 VanDerWaalsContact O-N 3.08Å; Y123-L127 HydrophobicContact CD1-CD1 4.28Å; Y123-L127 HydrophobicContact CD2-CG 4.28Å; Y123-L127 HydrophobicContact CE1-CD1 3.93Å; Y123-L127 HydrophobicContact CE2-CD1 4.27Å; Y123-L127 HydrophobicContact CE2-CD2 3.87Å; Y123-L127 HydrophobicContact CE2-CG 3.99Å; Y123-L127 WeakPolarHBondContact O-CG 3.35Å; Y123-L127 PolarHBondContact O-N 3.35Å; Y123-Y175 AromaticContact CD1-CD1 3.89Å; Y123-Y175 HydrophobicContact CD1-CD1 3.89Å; Y123-Y175 AromaticContact CD1-CE1 3.61Å; Y123-Y175 HydrophobicContact CD1-CE1 3.61Å; Y123-Y175 HydrophobicContact CD2-CD1 4.34Å; Y123-Y175 HydrophobicContact CE1-CE1 4.46Å; Y123-Y175 AromaticContact CG-CD1 3.73Å; Y123-Y175 HydrophobicContact CG-CD1 3.73Å; Y123-Y175 AromaticContact CG-CE1 3.79Å; Y123-Y175 HydrophobicContact CG-CE1 3.79Å; Y123-L178 HydrophobicContact CD2-CD1 3.69Å; Y123-L178 HydrophobicContact CD2-CD2 3.87Å; Y123-L178 HydrophobicContact CD2-CG 4.43Å; Y123-L178 HydrophobicContact CE2-CD1 4.27Å; Y123-L178 HydrophobicContact CG-CD2 4.22Å
124Q97.6Very high97.7Very high21 Ų2131.5 Ų31.510%0.09816%0.159CC..Hα-helixtrans-65.7-32.8176.8-71.8-172.92200112.7R45 F50 L56 E120 F122 L127 E128R45-Q124 VanDerWaalsContact NH2-NE2 3.11Å; F50-Q124 PolarHBondContact O-NE2 3.24Å; L56-Q124 HydrophobicContact CD1-CB 4.06Å; L56-Q124 HydrophobicContact CD2-CB 3.71Å; L56-Q124 HydrophobicContact CG-CB 3.93Å; E120-Q124 HydrophobicContact CG-CG 4.35Å; E120-Q124 WeakPolarHBondContact O-CB 3.32Å; E120-Q124 WeakPolarHBondContact O-CG 3.33Å; E120-Q124 PolarHBondContact O-N 3.26Å; E120-Q124 PolarHBondContact OE1-NE2 3.4Å; F122-Q124 PolarHBondContact O-N 2.83Å; Q124-L127 PolarHBondContact O-N 3.48Å; Q124-E128 WeakPolarHBondContact O-CB 3.42Å; Q124-E128 PolarHBondContact O-N 3.49Å
125Q98.2Very high97.6Very high6 Ų637.4 Ų37.43%0.02819%0.185CC..Hα-helixtrans-66.5-39170.3-72.4171.87400112L56 M79 I88 Y121 F122 Y123 E128 Q129L56-Q125 HydrophobicContact CD1-CG 4.5Å; L56-Q125 HydrophobicContact CD2-CG 3.97Å; M79-Q125 HydrophobicContact CE-CB 4.07Å; M79-Q125 HydrophobicContact CE-CG 4.45Å; M79-Q125 WeakPolarHBondContact CE-O 3.39Å; I88-Q125 HydrophobicContact CD1-CB 3.84Å; Y121-Q125 WeakPolarHBondContact O-CG 3.4Å; Y121-Q125 PolarHBondContact O-N 2.92Å; Y121-Q125 PolarHBondContact O-NE2 3.06Å; F122-Q125 WeakPolarHBondContact O-CB 3.4Å; F122-Q125 PolarHBondContact O-N 3.26Å; Y123-Q125 VanDerWaalsContact C-N 3.3Å; Y123-Q125 PolarHBondContact O-N 3Å; Q125-E128 PolarHBondContact O-N 2.85Å; Q125-Q129 WeakPolarHBondContact O-CB 3.33Å; Q125-Q129 PolarHBondContact O-N 2.96Å
126V98.1Very high97.6Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-60.8-47.1173.2171.70000110.7I88 F122 Y123 E128 Q129 E130 G138 I139 L178I88-V126 HydrophobicContact CD1-CG2 3.77Å; I88-V126 HydrophobicContact CG1-CG2 3.76Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 2.9Å; Y123-V126 WeakPolarHBondContact O-CA 3.39Å; Y123-V126 WeakPolarHBondContact O-CB 3.12Å; Y123-V126 PolarHBondContact O-N 2.87Å; Y123-V126 VanDerWaalsContact O-N 3.08Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 2.74Å; V126-Q129 WeakPolarHBondContact O-CB 3.5Å; V126-Q129 PolarHBondContact O-N 3.16Å; V126-Q129 VanDerWaalsContact O-N 3.12Å; V126-E130 VanDerWaalsContact O-CG 3.3Å; V126-E130 WeakPolarHBondContact O-CG 3.49Å; V126-E130 PolarHBondContact O-N 3.1Å; V126-G138 WeakPolarHBondContact CG2-O 3.35Å; V126-I139 HydrophobicContact CG2-CG1 3.94Å; V126-L178 HydrophobicContact CB-CD1 3.97Å; V126-L178 HydrophobicContact CG1-CD1 3.7Å; V126-L178 HydrophobicContact CG2-CD1 3.93Å
127L97.1Very high97.6Very high17 Ų1740 Ų409%0.08921%0.208CC..Hα-helixtrans-59.3-41.3176.6-64.6174.4000111.9E13 L14 N19 Y123 Q124 E130 K131E13-L127 HydrophobicContact CG-CD1 4.4Å; L14-L127 HydrophobicContact CD2-CD1 3.7Å; N19-L127 HydrophobicContact CB-CD2 4.49Å; Y123-L127 HydrophobicContact CD1-CD1 4.28Å; Y123-L127 HydrophobicContact CD2-CG 4.28Å; Y123-L127 HydrophobicContact CE1-CD1 3.93Å; Y123-L127 HydrophobicContact CE2-CD1 4.27Å; Y123-L127 HydrophobicContact CE2-CD2 3.87Å; Y123-L127 HydrophobicContact CE2-CG 3.99Å; Y123-L127 WeakPolarHBondContact O-CG 3.35Å; Y123-L127 PolarHBondContact O-N 3.35Å; Q124-L127 PolarHBondContact O-N 3.48Å; L127-E130 PolarHBondContact O-N 2.71Å; L127-K131 WeakPolarHBondContact O-CB 3Å; L127-K131 PolarHBondContact O-N 3.18Å
128E97.1Very high97.5Very high58 Ų5840 Ų4027%0.27121%0.208SC..Hα-helixtrans-66.3-37.3175.6176.862.7-167.300111.8M79 Q124 Q125 V126 K131 R132M79-E128 HydrophobicContact CE-CB 3.75Å; M79-E128 HydrophobicContact CE-CG 3.63Å; Q124-E128 WeakPolarHBondContact O-CB 3.42Å; Q124-E128 PolarHBondContact O-N 3.49Å; Q125-E128 PolarHBondContact O-N 2.85Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 2.74Å; E128-K131 PolarHBondContact O-N 3.1Å; E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 VanDerWaalsContact O-CG 3.26Å; E128-R132 WeakPolarHBondContact O-CG 3.38Å; E128-R132 PolarHBondContact O-N 2.96Å; E128-R132 IonicContact OE1-CZ 3.49Å; E128-R132 IonicContact OE1-NE 3.56Å; E128-R132 PolarHBondContact OE1-NE 3.22Å; E128-R132 IonicContact OE1-NH2 2.76Å; E128-R132 PolarHBondContact OE1-NH2 2.76Å
129Q97.9Very high97.5Very high23 Ų2340.4 Ų40.411%0.10721%0.21CC..Hα-helixtrans-66.1-38.3174-178.855.511.800112.1M79 V81 N86 Q125 V126 R132 S133M79-Q129 HydrophobicContact CE-CB 4.44Å; M79-Q129 HydrophobicContact SD-CB 3.79Å; M79-Q129 HydrophobicContact SD-CG 4.48Å; V81-Q129 HydrophobicContact CG2-CG 4.32Å; N86-Q129 PolarHBondContact OD1-NE2 2.97Å; Q125-Q129 WeakPolarHBondContact O-CB 3.33Å; Q125-Q129 PolarHBondContact O-N 2.96Å; V126-Q129 WeakPolarHBondContact O-CB 3.5Å; V126-Q129 PolarHBondContact O-N 3.16Å; V126-Q129 VanDerWaalsContact O-N 3.12Å; Q129-R132 PolarHBondContact O-N 3.41Å; Q129-S133 VanDerWaalsContact O-CB 3.27Å; Q129-S133 WeakPolarHBondContact O-CB 3.47Å; Q129-S133 PolarHBondContact O-N 2.98Å; Q129-S133 PolarHBondContact O-OG 3.29Å
130E97.7Very high97.6Very high9 Ų940 Ų404%0.04221%0.207CC..Hα-helixtrans-64.1-43.9175.6-69.3178.9146.400111.1I18 R22 V126 L127 R132 G134 K135 S137I18-E130 HydrophobicContact CD1-CB 4.28Å; I18-E130 HydrophobicContact CD1-CG 4.49Å; I18-E130 WeakPolarHBondContact CG2-OE1 3.46Å; R22-E130 IonicContact CZ-OE1 3.93Å; R22-E130 IonicContact CZ-OE2 3.81Å; R22-E130 IonicContact NH1-OE1 3.57Å; R22-E130 PolarHBondContact NH1-OE1 2.84Å; R22-E130 IonicContact NH1-OE2 2.71Å; R22-E130 PolarHBondContact NH1-OE2 2.91Å; R22-E130 VanDerWaalsContact NH2-CD 3.3Å; R22-E130 IonicContact NH2-OE1 3.91Å; R22-E130 PolarHBondContact NH2-OE1 2.91Å; R22-E130 IonicContact NH2-OE2 2.71Å; V126-E130 VanDerWaalsContact O-CG 3.3Å; V126-E130 WeakPolarHBondContact O-CG 3.49Å; V126-E130 PolarHBondContact O-N 3.1Å; L127-E130 PolarHBondContact O-N 2.71Å; E130-R132 PolarHBondContact O-N 3.14Å; E130-G134 WeakPolarHBondContact O-CA 3.36Å; E130-G134 PolarHBondContact O-N 3.5Å; E130-K135 WeakPolarHBondContact CG-O 3.44Å; E130-S137 PolarHBondContact OE1-N 3.4Å
131K97Very high97.6Very high169 Ų16941.3 Ų41.374%0.73521%0.213SC*.Hα-helixtrans-60.7-43.2174.9-175179.7179-178.80112L127 E128L127-K131 WeakPolarHBondContact O-CB 3Å; L127-K131 PolarHBondContact O-N 3.18Å; E128-K131 PolarHBondContact O-N 3.1Å
132R97.3Very high97.5Very high160 Ų16041.1 Ų41.160%0.60421%0.213SC*.Hα-helixtrans-69.7-44.3179.7-74.6174.4-176.6-164.42.7113.3E128 Q129 E130E128-R132 WeakPolarHBondContact O-CB 3.49Å; E128-R132 VanDerWaalsContact O-CG 3.26Å; E128-R132 WeakPolarHBondContact O-CG 3.38Å; E128-R132 PolarHBondContact O-N 2.96Å; E128-R132 IonicContact OE1-CZ 3.49Å; E128-R132 IonicContact OE1-NE 3.56Å; E128-R132 PolarHBondContact OE1-NE 3.22Å; E128-R132 IonicContact OE1-NH2 2.76Å; E128-R132 PolarHBondContact OE1-NH2 2.76Å; Q129-R132 PolarHBondContact O-N 3.41Å; E130-R132 PolarHBondContact O-N 3.14Å
133S97.4Very high97.4Very high38 Ų3842.5 Ų42.527%0.26622%0.218SC..Hα-helixtrans-89.9-20.4-171.964.20000113.8N86 Q129 K135N86-S133 PolarHBondContact ND2-OG 3.12Å; N86-S133 WeakPolarHBondContact OD1-CB 3.23Å; N86-S133 PolarHBondContact OD1-OG 3.29Å; Q129-S133 VanDerWaalsContact O-CB 3.27Å; Q129-S133 WeakPolarHBondContact O-CB 3.47Å; Q129-S133 PolarHBondContact O-N 2.98Å; Q129-S133 PolarHBondContact O-OG 3.29Å; S133-K135 PolarHBondContact O-N 2.68Å; S133-K135 PolarHBondContact OG-N 2.85Å; S133-K135 PolarHBondContact OG-O 2.89Å
134G96.2Very high97.3Very high65 Ų6542.4 Ų42.467%0.6722%0.217SC*.SBendtrans6615.9-171.300000113.6E130E130-G134 WeakPolarHBondContact O-CA 3.36Å; E130-G134 PolarHBondContact O-N 3.5Å
135K96.9Very high97.1Very high133 Ų13342.5 Ų42.558%0.57822%0.217SC*.SBendtrans-126.6153.5-175.2-65.4174.4-173.41760110.1N86 E130 S133 S137N86-K135 PolarHBondContact ND2-O 3.49Å; E130-K135 WeakPolarHBondContact CG-O 3.44Å; S133-K135 PolarHBondContact O-N 2.68Å; S133-K135 PolarHBondContact OG-N 2.85Å; S133-K135 PolarHBondContact OG-O 2.89Å; K135-S137 PolarHBondContact O-N 3.06Å
136P96.6Very high96.9Very high90 Ų9047 Ų4758%0.58424%0.238SC*.  trans-52.7139.2168.6-24.534.4000111.5I18 N86I18-P136 HydrophobicContact CG2-CB 4.16Å; I18-P136 HydrophobicContact CG2-CG 4.38Å; N86-P136 PolarHBondContact ND2-O 2.78Å
137S97.7Very high96.5Very high12 Ų1250.4 Ų50.48%0.08427%0.273CS..  trans-126.1-174.3174.1-1750000109.1R22 N86 E130 K135R22-S137 PolarHBondContact NH2-O 2.93Å; N86-S137 WeakPolarHBondContact O-CB 3.47Å; N86-S137 PolarHBondContact O-OG 2.86Å; E130-S137 PolarHBondContact OE1-N 3.4Å; K135-S137 PolarHBondContact O-N 3.06Å
138G97.5Very high96.2Very high0 Ų050.5 Ų50.50%027%0.273CS..  trans177.6-160.6179.500000110.6S87 I88 V126 L178 T180S87-G138 CarbonylContact C-O 3.54Å; S87-G138 WeakPolarHBondContact CA-O 3.44Å; S87-G138 WeakPolarHBondContact CB-O 3.43Å; I88-G138 PolarHBondContact N-O 3.08Å; V126-G138 WeakPolarHBondContact CG2-O 3.35Å; G138-L178 CarbonylContact C-O 3.35Å; G138-L178 WeakPolarHBondContact CA-O 3.43Å; G138-T180 WeakPolarHBondContact CA-OG1 3.33Å
139I98.3Very high95.6Very high18 Ų1851 Ų519%0.09228%0.278CS..EExtended strand (participates in β ladder)trans-115.2124.4179.4-61.7173.5000109.4I88 V90 F122 V126 L141 L178 T180 A181I88-I139 HydrophobicContact CD1-CG1 4.28Å; I88-I139 HydrophobicContact CG1-CG1 4Å; I88-I139 CarbonylContact O-C 3.42Å; I88-I139 WeakPolarHBondContact O-CA 3.44Å; V90-I139 HydrophobicContact CB-CG2 4.2Å; V90-I139 HydrophobicContact CG2-CG2 3.94Å; F122-I139 HydrophobicContact CB-CD1 3.66Å; F122-I139 HydrophobicContact CB-CG1 4.46Å; F122-I139 HydrophobicContact CG-CD1 4.48Å; V126-I139 HydrophobicContact CG2-CG1 3.94Å; I139-L141 HydrophobicContact CG2-CB 4.19Å; I139-L178 HydrophobicContact CD1-CD2 3.55Å; I139-L178 HydrophobicContact CD1-CG 3.75Å; I139-L178 HydrophobicContact CG1-CD2 4.3Å; I139-L178 HydrophobicContact CG1-CG 3.99Å; I139-L178 PolarHBondContact N-O 3.13Å; I139-T180 PolarHBondContact O-N 3.4Å; I139-A181 PolarHBondContact O-N 3.26Å
140T98.2Very high94.8Very high0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-91.5109.9159.2-74.90000108.4D85 S87 I88 V89 V90 Y183 I226D85-T140 PolarHBondContact OD2-OG1 3.16Å; S87-T140 WeakPolarHBondContact OG-CB 3.3Å; S87-T140 PolarHBondContact OG-OG1 3.47Å; I88-T140 PolarHBondContact O-N 2.77Å; V89-T140 WeakPolarHBondContact CA-O 3.37Å; V89-T140 HydrophobicContact CG2-CG2 4.49Å; V90-T140 PolarHBondContact N-O 3.16Å; T140-Y183 HydrophobicContact CG2-CD2 3.97Å; T140-Y183 HydrophobicContact CG2-CE2 3.74Å; T140-I226 HydrophobicContact CG2-CD1 3.58Å; T140-I226 HydrophobicContact CG2-CG1 3.99Å
141L98Very high93.9Very high26 Ų2655.1 Ų55.114%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-102.8130.8-176-174.659000110.6V90 I139 Y143 L179 A181 F182 Y183V90-L141 HydrophobicContact CB-CD1 3.89Å; V90-L141 HydrophobicContact CG1-CD1 3.79Å; V90-L141 CarbonylContact O-C 3.49Å; V90-L141 WeakPolarHBondContact O-CA 3.2Å; I139-L141 HydrophobicContact CG2-CB 4.19Å; L141-Y143 HydrophobicContact CD1-CD1 4.07Å; L141-Y143 HydrophobicContact CD1-CE1 3.87Å; L141-Y143 HydrophobicContact CD2-CD1 4.05Å; L141-Y143 HydrophobicContact CD2-CE1 3.6Å; L141-Y143 HydrophobicContact CG-CD1 3.85Å; L141-Y143 HydrophobicContact CG-CE1 3.82Å; L141-L179 HydrophobicContact CB-CD1 3.72Å; L141-L179 HydrophobicContact CD2-CD1 4.26Å; L141-A181 PolarHBondContact N-O 3.17Å; L141-F182 HydrophobicContact CB-CD2 3.98Å; L141-F182 HydrophobicContact CB-CE2 4.49Å; L141-F182 HydrophobicContact CD2-CD2 3.86Å; L141-F182 HydrophobicContact CD2-CE2 3.69Å; L141-F182 HydrophobicContact CD2-CG 4.37Å; L141-F182 HydrophobicContact CD2-CZ 4.06Å; L141-F182 HydrophobicContact CG-CD2 3.86Å; L141-F182 HydrophobicContact CG-CE2 3.87Å; L141-F182 CarbonylContact O-C 3.54Å; L141-F182 WeakPolarHBondContact O-CA 3.38Å; L141-Y183 PolarHBondContact O-N 3.33Å
142I97.8Very high92.8Very high0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-113.6118.5170.5-49.7-170.2000108.4V90 I91 N92 Y183 V185 L222 I226 L231 Y235V90-I142 PolarHBondContact O-N 2.7Å; I91-I142 HydrophobicContact CD1-CB 3.76Å; I91-I142 HydrophobicContact CD1-CD1 3.52Å; I91-I142 HydrophobicContact CD1-CG1 3.72Å; N92-I142 PolarHBondContact N-O 2.95Å; I142-Y183 CarbonylContact C-O 3.58Å; I142-Y183 WeakPolarHBondContact CA-O 3.47Å; I142-Y183 HydrophobicContact CG1-CD2 4.44Å; I142-V185 HydrophobicContact CG2-CG1 3.99Å; I142-V185 HydrophobicContact CG2-CG2 4.05Å; I142-L222 HydrophobicContact CD1-CD1 4.12Å; I142-L222 HydrophobicContact CD1-CD2 4.34Å; I142-I226 HydrophobicContact CD1-CD1 3.57Å; I142-I226 HydrophobicContact CG1-CD1 4.17Å; I142-L231 HydrophobicContact CD1-CD1 3.7Å; I142-Y235 HydrophobicContact CG2-CE1 4.49Å
143Y96.2Very high92Very high44 Ų4445.4 Ų45.417%0.17326%0.263CS..EExtended strand (participates in β ladder)trans-99.2119.2166.3-86.724.5000109.7N92 L94 L141 Y145 F182 Y183 L184 V185N92-Y143 HydrophobicContact CB-CD1 3.63Å; N92-Y143 HydrophobicContact CB-CE1 3.56Å; N92-Y143 WeakPolarHBondContact ND2-CE1 2.92Å; N92-Y143 VanDerWaalsContact ND2-CZ 3.28Å; N92-Y143 PolarHBondContact ND2-OH 3.32Å; N92-Y143 WeakPolarHBondContact O-CA 3.24Å; L94-Y143 HydrophobicContact CD1-CD2 3.93Å; L94-Y143 HydrophobicContact CD2-CD2 4.19Å; L94-Y143 HydrophobicContact CD2-CE2 4.23Å; L94-Y143 HydrophobicContact CG-CD2 4.35Å; L141-Y143 HydrophobicContact CD1-CD1 4.07Å; L141-Y143 HydrophobicContact CD1-CE1 3.87Å; L141-Y143 HydrophobicContact CD2-CD1 4.05Å; L141-Y143 HydrophobicContact CD2-CE1 3.6Å; L141-Y143 HydrophobicContact CG-CD1 3.85Å; L141-Y143 HydrophobicContact CG-CE1 3.82Å; Y143-Y145 HydrophobicContact CD2-CE2 4.44Å; Y143-F182 AromaticContact CD1-CE2 3.51Å; Y143-F182 HydrophobicContact CD1-CE2 3.51Å; Y143-F182 AromaticContact CD1-CZ 3.97Å; Y143-F182 HydrophobicContact CD1-CZ 3.97Å; Y143-F182 AromaticContact CD2-CE2 3.87Å; Y143-F182 HydrophobicContact CD2-CE2 3.87Å; Y143-F182 AromaticContact CD2-CZ 3.63Å; Y143-F182 HydrophobicContact CD2-CZ 3.63Å; Y143-F182 HydrophobicContact CE1-CE2 4.04Å; Y143-F182 HydrophobicContact CE1-CZ 4.14Å; Y143-F182 HydrophobicContact CE2-CE2 4.35Å; Y143-F182 AromaticContact CE2-CZ 3.82Å; Y143-F182 HydrophobicContact CE2-CZ 3.82Å; Y143-F182 AromaticContact CG-CE2 3.43Å; Y143-F182 HydrophobicContact CG-CE2 3.43Å; Y143-F182 VanDerWaalsContact CG-CE2 3.43Å; Y143-F182 AromaticContact CG-CZ 3.72Å; Y143-F182 HydrophobicContact CG-CZ 3.72Å; Y143-Y183 PolarHBondContact N-O 2.89Å; Y143-L184 HydrophobicContact CG-CD2 4.45Å; Y143-V185 PolarHBondContact O-N 3.35Å
144D95.5Very high91.2Very high1 Ų146 Ų461%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-96.3116.3174.4177.518.3000110.5N92 R93 L94 E146 V185 N186 Y235N92-D144 PolarHBondContact O-N 3.31Å; R93-D144 HydrophobicContact CB-CB 4.5Å; R93-D144 HydrophobicContact CG-CB 4.1Å; R93-D144 IonicContact NE-OD2 2.74Å; R93-D144 PolarHBondContact NE-OD2 2.95Å; L94-D144 PolarHBondContact N-O 3.32Å; D144-E146 VanDerWaalsContact OD1-CB 3.23Å; D144-E146 WeakPolarHBondContact OD1-CB 3.42Å; D144-E146 PolarHBondContact OD1-N 3.23Å; D144-V185 HydrophobicContact CB-CG2 3.81Å; D144-N186 WeakPolarHBondContact OD1-CB 3.44Å; D144-N186 PolarHBondContact OD1-ND2 2.85Å; D144-Y235 HydrophobicContact CB-CE1 4.21Å; D144-Y235 PolarHBondContact OD2-OH 3.16Å
145Y93.4Very high90.8Very high23 Ų2346.4 Ų46.49%0.0926%0.257CS..  trans-91.42.3179.6-77.5-100.6000113.4L94 Y143 G147 F148 L150 L184 V185 N186 A187 I194L94-Y145 HydrophobicContact CD1-CD1 3.85Å; L94-Y145 HydrophobicContact CD1-CD2 4.1Å; L94-Y145 HydrophobicContact CD1-CE1 3.52Å; L94-Y145 HydrophobicContact CD1-CE2 3.81Å; L94-Y145 HydrophobicContact CD1-CG 4.11Å; L94-Y145 VanDerWaalsContact CD1-CZ 3.5Å; Y143-Y145 HydrophobicContact CD2-CE2 4.44Å; Y145-G147 PolarHBondContact O-N 3.46Å; Y145-F148 AromaticContact CD1-CD1 3.7Å; Y145-F148 HydrophobicContact CD1-CD1 3.7Å; Y145-F148 HydrophobicContact CD1-CE1 4.44Å; Y145-F148 AromaticContact CE1-CD1 3.93Å; Y145-F148 HydrophobicContact CE1-CD1 3.93Å; Y145-F148 HydrophobicContact CE1-CE1 4.22Å; Y145-F148 VanDerWaalsContact O-CB 3.32Å; Y145-F148 WeakPolarHBondContact O-CB 3.32Å; Y145-F148 PolarHBondContact O-N 3.49Å; Y145-L150 HydrophobicContact CE1-CD1 4.32Å; Y145-L184 HydrophobicContact CE2-CB 4.16Å; Y145-L184 HydrophobicContact CE2-CD2 4.04Å; Y145-L184 HydrophobicContact CE2-CG 4.48Å; Y145-V185 WeakPolarHBondContact CB-O 3.1Å; Y145-V185 PolarHBondContact N-O 2.93Å; Y145-N186 WeakPolarHBondContact CB-O 3.36Å; Y145-A187 HydrophobicContact CD2-CB 3.89Å; Y145-A187 HydrophobicContact CG-CB 3.92Å; Y145-I194 HydrophobicContact CD1-CD1 3.7Å; Y145-I194 HydrophobicContact CD1-CG1 4.4Å; Y145-I194 HydrophobicContact CD2-CD1 4.35Å; Y145-I194 HydrophobicContact CE1-CD1 3.41Å; Y145-I194 VanDerWaalsContact CE1-CD1 3.41Å; Y145-I194 HydrophobicContact CE1-CG1 3.72Å; Y145-I194 HydrophobicContact CE2-CD1 4.09Å; Y145-I194 HydrophobicContact CG-CD1 4.18Å
146E92.3Very high90.3Very high101 Ų10142.6 Ų42.647%0.47225%0.246SC..THydrogen-bonded Turntrans-56.2128.9177.3-173.8170-15500110.8G95 D144 F148 N186G95-E146 VanDerWaalsContact CA-O 3.27Å; G95-E146 WeakPolarHBondContact CA-O 3.41Å; D144-E146 VanDerWaalsContact OD1-CB 3.23Å; D144-E146 WeakPolarHBondContact OD1-CB 3.42Å; D144-E146 PolarHBondContact OD1-N 3.23Å; E146-F148 PolarHBondContact O-N 3.42Å; E146-N186 HydrophobicContact CB-CB 3.88Å
147G90.3Very high89.9Confident71 Ų7147.4 Ų47.473%0.73225%0.252SS*.THydrogen-bonded Turntrans69.75.3-178.100000115.5Y145Y145-G147 PolarHBondContact O-N 3.46Å
148F90.6Very high89.7Confident20 Ų2047.7 Ų47.79%0.08825%0.254CS..  trans-87.1122.4-179.9-170.2-126.7000112.5L94 H99 Y145 E146 L150 Y153 W190L94-F148 HydrophobicContact CB-CB 3.96Å; L94-F148 HydrophobicContact CB-CD1 3.98Å; L94-F148 HydrophobicContact CB-CD2 3.69Å; L94-F148 HydrophobicContact CB-CE1 4.34Å; L94-F148 HydrophobicContact CB-CE2 4.12Å; L94-F148 HydrophobicContact CB-CG 3.61Å; L94-F148 HydrophobicContact CB-CZ 4.42Å; L94-F148 HydrophobicContact CD1-CD1 3.98Å; L94-F148 HydrophobicContact CD1-CE1 4.03Å; L94-F148 HydrophobicContact CD1-CG 4.46Å; L94-F148 WeakPolarHBondContact O-CD2 3.13Å; H99-F148 AromaticContact CD2-CE2 3.64Å; H99-F148 AromaticContact NE2-CE2 3.7Å; Y145-F148 AromaticContact CD1-CD1 3.7Å; Y145-F148 HydrophobicContact CD1-CD1 3.7Å; Y145-F148 HydrophobicContact CD1-CE1 4.44Å; Y145-F148 AromaticContact CE1-CD1 3.93Å; Y145-F148 HydrophobicContact CE1-CD1 3.93Å; Y145-F148 HydrophobicContact CE1-CE1 4.22Å; Y145-F148 VanDerWaalsContact O-CB 3.32Å; Y145-F148 WeakPolarHBondContact O-CB 3.32Å; Y145-F148 PolarHBondContact O-N 3.49Å; E146-F148 PolarHBondContact O-N 3.42Å; F148-L150 HydrophobicContact CD1-CB 4.47Å; F148-L150 HydrophobicContact CD1-CD1 3.98Å; F148-L150 HydrophobicContact CE1-CD1 3.42Å; F148-L150 VanDerWaalsContact CE1-CD1 3.42Å; F148-L150 HydrophobicContact CZ-CD1 4.4Å; F148-L150 PolarHBondContact O-N 2.71Å; F148-Y153 HydrophobicContact CD2-CE2 4.31Å; F148-Y153 HydrophobicContact CE1-CD2 4.04Å; F148-Y153 HydrophobicContact CE1-CE2 4.21Å; F148-Y153 HydrophobicContact CE1-CG 4.48Å; F148-Y153 AromaticContact CE2-CD2 3.95Å; F148-Y153 HydrophobicContact CE2-CD2 3.95Å; F148-Y153 HydrophobicContact CE2-CE1 4.22Å; F148-Y153 AromaticContact CE2-CE2 3.28Å; F148-Y153 HydrophobicContact CE2-CE2 3.28Å; F148-Y153 AromaticContact CE2-CZ 3.45Å; F148-Y153 VanDerWaalsContact CE2-CZ 3.45Å; F148-Y153 HydrophobicContact CZ-CD1 4.08Å; F148-Y153 AromaticContact CZ-CD2 3.4Å; F148-Y153 HydrophobicContact CZ-CD2 3.4Å; F148-Y153 VanDerWaalsContact CZ-CD2 3.4Å; F148-Y153 AromaticContact CZ-CE1 3.88Å; F148-Y153 HydrophobicContact CZ-CE1 3.88Å; F148-Y153 AromaticContact CZ-CE2 3.22Å; F148-Y153 HydrophobicContact CZ-CE2 3.22Å; F148-Y153 AromaticContact CZ-CG 3.86Å; F148-Y153 HydrophobicContact CZ-CG 3.86Å; F148-Y153 AromaticContact CZ-CZ 3.48Å; F148-Y153 VanDerWaalsContact CZ-CZ 3.48Å; F148-W190 PolarHBondContact O-NE1 3.48Å
149N84Confident89.4Confident69 Ų6949.1 Ų49.137%0.36926%0.264SS..  trans-87.191.6175-176.911.1000111.3L151 E152 Y153N149-L151 PolarHBondContact O-N 3.31Å; N149-L151 PolarHBondContact OD1-N 2.92Å; N149-E152 PolarHBondContact ND2-OE1 2.66Å; N149-Y153 WeakPolarHBondContact O-CD2 3.42Å; N149-Y153 WeakPolarHBondContact O-CE2 3.08Å
150L81.9Confident89.2Confident6 Ų649 Ų493%0.03126%0.264CS..G310 helixtrans-69.3-17.5-174.8-164.566.9000114.3Y145 F148 E152 Y153 A154 W190 V193 I194 I197Y145-L150 HydrophobicContact CE1-CD1 4.32Å; F148-L150 HydrophobicContact CD1-CB 4.47Å; F148-L150 HydrophobicContact CD1-CD1 3.98Å; F148-L150 HydrophobicContact CE1-CD1 3.42Å; F148-L150 VanDerWaalsContact CE1-CD1 3.42Å; F148-L150 HydrophobicContact CZ-CD1 4.4Å; F148-L150 PolarHBondContact O-N 2.71Å; L150-E152 PolarHBondContact O-N 3.33Å; L150-Y153 WeakPolarHBondContact O-CA 3.45Å; L150-Y153 WeakPolarHBondContact O-CB 3.35Å; L150-Y153 PolarHBondContact O-N 2.6Å; L150-A154 PolarHBondContact O-N 2.84Å; L150-W190 HydrophobicContact CB-CB 4.41Å; L150-W190 HydrophobicContact CB-CD2 3.55Å; L150-W190 HydrophobicContact CB-CE3 3.77Å; L150-W190 HydrophobicContact CB-CG 3.82Å; L150-W190 HydrophobicContact CB-CZ3 4.38Å; L150-W190 HydrophobicContact CD2-CB 3.61Å; L150-W190 HydrophobicContact CD2-CD2 4.14Å; L150-W190 HydrophobicContact CD2-CE3 4.14Å; L150-W190 HydrophobicContact CD2-CG 3.94Å; L150-W190 HydrophobicContact CG-CD2 4.5Å; L150-W190 HydrophobicContact CG-CE3 4.49Å; L150-V193 HydrophobicContact CD2-CB 3.59Å; L150-V193 HydrophobicContact CD2-CG1 3.46Å; L150-V193 VanDerWaalsContact CD2-CG1 3.46Å; L150-V193 HydrophobicContact CG-CB 4.48Å; L150-V193 HydrophobicContact CG-CG1 3.88Å; L150-I194 HydrophobicContact CD2-CD1 4.33Å; L150-I194 HydrophobicContact CD2-CG1 3.46Å; L150-I194 VanDerWaalsContact CD2-CG1 3.46Å; L150-I197 HydrophobicContact CD1-CD1 4.32Å
151L77.9Confident88.9Confident112 Ų11249.3 Ų49.359%0.58627%0.265SS*.G310 helixtrans-61.7-32.3-178.7-70.9172.4000112.6N149 Y153 A154 W190N149-L151 PolarHBondContact O-N 3.31Å; N149-L151 PolarHBondContact OD1-N 2.92Å; L151-Y153 PolarHBondContact O-N 3.46Å; L151-A154 WeakPolarHBondContact O-CB 3.47Å; L151-A154 PolarHBondContact O-N 3.39Å; L151-W190 HydrophobicContact CD1-CH2 3.9Å; L151-W190 HydrophobicContact CD2-CH2 3.95Å; L151-W190 HydrophobicContact CD2-CZ3 3.78Å; L151-W190 HydrophobicContact CG-CH2 3.45Å; L151-W190 VanDerWaalsContact CG-CH2 3.45Å; L151-W190 HydrophobicContact CG-CZ2 4.44Å; L151-W190 HydrophobicContact CG-CZ3 3.79Å
152E74Confident88.8Confident106 Ų10651.2 Ų51.250%0.49527%0.274SS..G310 helixtrans-63.7-20.2176.5-68171.6-153.700112.5N149 L150N149-E152 PolarHBondContact ND2-OE1 2.66Å; L150-E152 PolarHBondContact O-N 3.33Å
153Y80.8Confident88.6Confident19 Ų1951.3 Ų51.38%0.07527%0.274CS..G310 helixtrans-106.8-4.1-176.6-56-93.7000112.7H99 F148 N149 L150 L151 N155 T160 M161H99-Y153 HydrophobicContact CB-CE1 4.03Å; H99-Y153 WeakPolarHBondContact CB-OH 3.3Å; H99-Y153 AromaticContact CD2-CZ 3.94Å; H99-Y153 PolarHBondContact CD2-OH 2.95Å; F148-Y153 HydrophobicContact CD2-CE2 4.31Å; F148-Y153 HydrophobicContact CE1-CD2 4.04Å; F148-Y153 HydrophobicContact CE1-CE2 4.21Å; F148-Y153 HydrophobicContact CE1-CG 4.48Å; F148-Y153 AromaticContact CE2-CD2 3.95Å; F148-Y153 HydrophobicContact CE2-CD2 3.95Å; F148-Y153 HydrophobicContact CE2-CE1 4.22Å; F148-Y153 AromaticContact CE2-CE2 3.28Å; F148-Y153 HydrophobicContact CE2-CE2 3.28Å; F148-Y153 AromaticContact CE2-CZ 3.45Å; F148-Y153 VanDerWaalsContact CE2-CZ 3.45Å; F148-Y153 HydrophobicContact CZ-CD1 4.08Å; F148-Y153 AromaticContact CZ-CD2 3.4Å; F148-Y153 HydrophobicContact CZ-CD2 3.4Å; F148-Y153 VanDerWaalsContact CZ-CD2 3.4Å; F148-Y153 AromaticContact CZ-CE1 3.88Å; F148-Y153 HydrophobicContact CZ-CE1 3.88Å; F148-Y153 AromaticContact CZ-CE2 3.22Å; F148-Y153 HydrophobicContact CZ-CE2 3.22Å; F148-Y153 AromaticContact CZ-CG 3.86Å; F148-Y153 HydrophobicContact CZ-CG 3.86Å; F148-Y153 AromaticContact CZ-CZ 3.48Å; F148-Y153 VanDerWaalsContact CZ-CZ 3.48Å; N149-Y153 WeakPolarHBondContact O-CD2 3.42Å; N149-Y153 WeakPolarHBondContact O-CE2 3.08Å; L150-Y153 WeakPolarHBondContact O-CA 3.45Å; L150-Y153 WeakPolarHBondContact O-CB 3.35Å; L150-Y153 PolarHBondContact O-N 2.6Å; L151-Y153 PolarHBondContact O-N 3.46Å; Y153-N155 PolarHBondContact O-N 3.32Å; Y153-T160 HydrophobicContact CD1-CG2 4.07Å; Y153-T160 HydrophobicContact CE1-CG2 3.45Å; Y153-T160 VanDerWaalsContact CE1-CG2 3.45Å; Y153-M161 HydrophobicContact CD1-SD 3.81Å; Y153-M161 HydrophobicContact CG-SD 4.22Å; Y153-M161 VanDerWaalsContact O-CG 3.31Å; Y153-M161 WeakPolarHBondContact O-CG 3.5Å
154A80.5Confident88.6Confident51 Ų5152.5 Ų52.542%0.42128%0.28SS..SBendtrans-67.6-22.6178.200000112.5L150 L151 P156L150-A154 PolarHBondContact O-N 2.84Å; L151-A154 WeakPolarHBondContact O-CB 3.47Å; L151-A154 PolarHBondContact O-N 3.39Å; A154-P156 WeakPolarHBondContact O-CD 3.01Å
155N88.3Confident88.5Confident72 Ų7253.2 Ų53.239%0.38529%0.286SS..  trans-88105.7175.2179.97.5000110.9Y153 R157 S158 M161Y153-N155 PolarHBondContact O-N 3.32Å; N155-R157 PolarHBondContact O-N 2.85Å; N155-R157 WeakPolarHBondContact OD1-CB 3.27Å; N155-R157 PolarHBondContact OD1-N 2.88Å; N155-S158 WeakPolarHBondContact O-CB 3.27Å; N155-S158 PolarHBondContact O-N 2.9Å; N155-S158 PolarHBondContact O-OG 3.36Å; N155-M161 WeakPolarHBondContact O-CG 3.43Å
156P86.9Confident88.6Confident53 Ų5352.8 Ų52.834%0.34429%0.285SS..THydrogen-bonded Turntrans-66.1-11.7-179.727.7-36000114.2A154A154-P156 WeakPolarHBondContact O-CD 3.01Å
157R88.8Confident88.8Confident191 Ų19148 Ų4872%0.72126%0.263SS*.THydrogen-bonded Turntrans-94.5-2.3176.1-65.9-173.7-78.7110.7-4.5112.9N155 Q162N155-R157 PolarHBondContact O-N 2.85Å; N155-R157 WeakPolarHBondContact OD1-CB 3.27Å; N155-R157 PolarHBondContact OD1-N 2.88Å; R157-Q162 PolarHBondContact O-NE2 2.92Å
158S92.2Very high89Confident18 Ų1845.4 Ų45.413%0.12623%0.234CC..SBendtrans-63.4150.6174.574.20000110.4N155 T160 M161 Q162N155-S158 WeakPolarHBondContact O-CB 3.27Å; N155-S158 PolarHBondContact O-N 2.9Å; N155-S158 PolarHBondContact O-OG 3.36Å; S158-T160 VanDerWaalsContact C-N 3.26Å; S158-T160 PolarHBondContact O-N 3.47Å; S158-M161 PolarHBondContact O-N 3.19Å; S158-M161 WeakPolarHBondContact OG-CB 3.45Å; S158-M161 WeakPolarHBondContact OG-CG 3.24Å; S158-M161 PolarHBondContact OG-N 2.97Å; S158-Q162 WeakPolarHBondContact O-CG 3.31Å; S158-Q162 PolarHBondContact O-N 3.25Å
159P91.9Very high89.1Confident31 Ų3148.5 Ų48.520%0.20125%0.25CC..Hα-helixtrans-52.6-44.6177.4-29.736.5000113.6M161 Q162 L163 P330 H331P159-M161 PolarHBondContact O-N 3.2Å; P159-Q162 PolarHBondContact O-N 2.95Å; P159-L163 PolarHBondContact O-N 2.94Å; P159-L163 VanDerWaalsContact O-N 3.11Å; P159-P330 HydrophobicContact CB-CB 3.73Å; P159-P330 HydrophobicContact CB-CG 3.67Å; P159-P330 HydrophobicContact CG-CB 4.11Å; P159-H331 VanDerWaalsContact CB-CE1 3.43Å; P159-H331 WeakPolarHBondContact CB-CE1 3.34Å; P159-H331 WeakPolarHBondContact CB-NE2 3.42Å; P159-H331 VanDerWaalsContact CG-CE1 3.47Å; P159-H331 WeakPolarHBondContact CG-CE1 3.41Å
160T93.1Very high89.6Confident14 Ų1446.2 Ų46.29%0.08624%0.237CC..Hα-helixtrans-60.4-45.8177.7-47.30000112.1H99 T103 Y153 S158 Q162 L163 F164H99-T160 HydrophobicContact CB-CG2 3.86Å; T103-T160 HydrophobicContact CG2-CG2 4.31Å; Y153-T160 HydrophobicContact CD1-CG2 4.07Å; Y153-T160 HydrophobicContact CE1-CG2 3.45Å; Y153-T160 VanDerWaalsContact CE1-CG2 3.45Å; S158-T160 VanDerWaalsContact C-N 3.26Å; S158-T160 PolarHBondContact O-N 3.47Å; T160-Q162 PolarHBondContact O-N 3.38Å; T160-L163 PolarHBondContact O-N 3.36Å; T160-F164 VanDerWaalsContact O-CB 3.24Å; T160-F164 WeakPolarHBondContact O-CB 3.25Å; T160-F164 PolarHBondContact O-N 2.83Å
161M93.2Very high90.2Very high7 Ų748.3 Ų48.33%0.03425%0.248CC..Hα-helixtrans-69.9-32.2178.8-74.5-54.9-62.100113.5Y153 N155 S158 P159 F164 S165 I197Y153-M161 HydrophobicContact CD1-SD 3.81Å; Y153-M161 HydrophobicContact CG-SD 4.22Å; Y153-M161 VanDerWaalsContact O-CG 3.31Å; Y153-M161 WeakPolarHBondContact O-CG 3.5Å; N155-M161 WeakPolarHBondContact O-CG 3.43Å; S158-M161 PolarHBondContact O-N 3.19Å; S158-M161 WeakPolarHBondContact OG-CB 3.45Å; S158-M161 WeakPolarHBondContact OG-CG 3.24Å; S158-M161 PolarHBondContact OG-N 2.97Å; P159-M161 PolarHBondContact O-N 3.2Å; M161-F164 HydrophobicContact CE-CD1 4.07Å; M161-F164 HydrophobicContact SD-CD1 4.32Å; M161-S165 WeakPolarHBondContact O-CB 3.33Å; M161-S165 PolarHBondContact O-N 3.48Å; M161-S165 PolarHBondContact O-OG 2.85Å; M161-I197 HydrophobicContact CE-CG2 4.14Å
162Q94.6Very high90.8Very high66 Ų6643.9 Ų43.931%0.30823%0.225SC..Hα-helixtrans-64.3-48.2175.1-72.1-179.574.100111.2R157 S158 P159 T160 S165 L166R157-Q162 PolarHBondContact O-NE2 2.92Å; S158-Q162 WeakPolarHBondContact O-CG 3.31Å; S158-Q162 PolarHBondContact O-N 3.25Å; P159-Q162 PolarHBondContact O-N 2.95Å; T160-Q162 PolarHBondContact O-N 3.38Å; Q162-S165 PolarHBondContact O-N 3.12Å; Q162-L166 WeakPolarHBondContact O-CG 3.48Å; Q162-L166 PolarHBondContact O-N 3.49Å; Q162-L166 VanDerWaalsContact O-N 3.08Å
163L95.3Very high91.6Very high3 Ų341.6 Ų41.62%0.01622%0.216CC..Hα-helixtrans-68.9-42.9179-69.6169.4000112.5T103 P108 L111 P159 T160 S165 L166 G167 P330T103-L163 HydrophobicContact CG2-CD1 3.66Å; P108-L163 HydrophobicContact CB-CD2 3.75Å; P108-L163 HydrophobicContact CG-CD2 4.26Å; L111-L163 HydrophobicContact CD2-CB 4.06Å; L111-L163 HydrophobicContact CD2-CD1 4.2Å; P159-L163 PolarHBondContact O-N 2.94Å; P159-L163 VanDerWaalsContact O-N 3.11Å; T160-L163 PolarHBondContact O-N 3.36Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 3.08Å; L163-L166 PolarHBondContact O-N 3.01Å; L163-G167 PolarHBondContact O-N 3.2Å; L163-P330 HydrophobicContact CD1-CG 4.27Å; L163-P330 HydrophobicContact CG-CG 4.29Å
164F94.2Very high92.2Very high69 Ų6941.5 Ų41.530%0.30322%0.215SC..Hα-helixtrans-58.5-42.4173.6175.9-105.7000111.7T160 M161 G167 A168 L201T160-F164 VanDerWaalsContact O-CB 3.24Å; T160-F164 WeakPolarHBondContact O-CB 3.25Å; T160-F164 PolarHBondContact O-N 2.83Å; M161-F164 HydrophobicContact CE-CD1 4.07Å; M161-F164 HydrophobicContact SD-CD1 4.32Å; F164-G167 PolarHBondContact O-N 2.82Å; F164-A168 WeakPolarHBondContact O-CB 3.34Å; F164-A168 PolarHBondContact O-N 3.13Å; F164-L201 HydrophobicContact CD1-CD2 3.89Å; F164-L201 HydrophobicContact CE1-CD2 3.4Å; F164-L201 HydrophobicContact CZ-CD2 4.26Å
165S95Very high92.7Very high16 Ų1640.1 Ų40.111%0.11220%0.199CC..Hα-helixtrans-65.3-41178.9-59.80000112M161 Q162 L163 A168 M169M161-S165 WeakPolarHBondContact O-CB 3.33Å; M161-S165 PolarHBondContact O-N 3.48Å; M161-S165 PolarHBondContact O-OG 2.85Å; Q162-S165 PolarHBondContact O-N 3.12Å; L163-S165 VanDerWaalsContact C-N 3.3Å; L163-S165 PolarHBondContact O-N 3.08Å; S165-A168 PolarHBondContact O-N 3.32Å; S165-M169 WeakPolarHBondContact O-CG 3.47Å; S165-M169 PolarHBondContact O-N 3.32Å
166L95.5Very high92.6Very high14 Ų1436.9 Ų36.97%0.07318%0.183CC..Hα-helixtrans-62-44.3174.8-72.3176.5000111.6L112 Q162 L163 M169 L170 V326 C328L112-L166 HydrophobicContact CD2-CB 3.75Å; Q162-L166 WeakPolarHBondContact O-CG 3.48Å; Q162-L166 PolarHBondContact O-N 3.49Å; Q162-L166 VanDerWaalsContact O-N 3.08Å; L163-L166 PolarHBondContact O-N 3.01Å; L166-M169 HydrophobicContact CD2-CE 3.71Å; L166-M169 PolarHBondContact O-N 3.21Å; L166-L170 WeakPolarHBondContact O-CB 3.17Å; L166-L170 PolarHBondContact O-N 3.04Å; L166-V326 HydrophobicContact CD2-CB 4.11Å; L166-V326 HydrophobicContact CD2-CG1 3.62Å; L166-C328 HydrophobicContact CD1-CB 3.94Å; L166-C328 WeakPolarHBondContact CD1-SG 3.32Å
167G96.2Very high92.7Very high1 Ų136.7 Ų36.71%0.0118%0.177CC..Hα-helixtrans-58.7-51.417400000112L163 F164 M169 L170 L171L163-G167 PolarHBondContact O-N 3.2Å; F164-G167 PolarHBondContact O-N 2.82Å; G167-M169 VanDerWaalsContact C-N 3.3Å; G167-M169 PolarHBondContact O-N 3.08Å; G167-L170 WeakPolarHBondContact O-CB 3.47Å; G167-L170 PolarHBondContact O-N 3.47Å; G167-L171 WeakPolarHBondContact O-CG 3.41Å; G167-L171 PolarHBondContact O-N 2.9Å
168A94.2Very high93Very high15 Ų1528 Ų2812%0.12415%0.145CC..Hα-helixtrans-61.8-34.6179.500000113.2F164 S165 Q172 L201F164-A168 WeakPolarHBondContact O-CB 3.34Å; F164-A168 PolarHBondContact O-N 3.13Å; S165-A168 PolarHBondContact O-N 3.32Å; A168-Q172 VanDerWaalsContact O-CB 3.29Å; A168-Q172 WeakPolarHBondContact O-CB 3.46Å; A168-Q172 WeakPolarHBondContact O-CG 3.49Å; A168-Q172 PolarHBondContact O-N 2.9Å; A168-Q172 VanDerWaalsContact O-N 3.1Å; A168-Q172 PolarHBondContact O-NE2 3.41Å; A168-Q172 VanDerWaalsContact O-NE2 3.07Å; A168-L201 HydrophobicContact CB-CD1 4.03Å; A168-L201 HydrophobicContact CB-CD2 3.68Å; A168-L201 HydrophobicContact CB-CG 3.91Å
169M92.5Very high93.1Very high86 Ų8628.5 Ų28.542%0.42415%0.146SC..Hα-helixtrans-68.3-47.2173.5-72.6-175.5-59.300111.3S165 L166 G167 L171 Q172 D173S165-M169 WeakPolarHBondContact O-CG 3.47Å; S165-M169 PolarHBondContact O-N 3.32Å; L166-M169 HydrophobicContact CD2-CE 3.71Å; L166-M169 PolarHBondContact O-N 3.21Å; G167-M169 VanDerWaalsContact C-N 3.3Å; G167-M169 PolarHBondContact O-N 3.08Å; M169-L171 VanDerWaalsContact C-N 3.29Å; M169-L171 PolarHBondContact O-N 3.39Å; M169-Q172 PolarHBondContact O-N 3.43Å; M169-Q172 VanDerWaalsContact O-N 3.16Å; M169-D173 PolarHBondContact O-N 3.07Å
170L94.1Very high93.3Very high21 Ų2129.6 Ų29.611%0.1115%0.152CC..Hα-helixtrans-52.8-48.3175.2175.765.9000111.6F116 L166 G167 Q172 D173 Y174 L325F116-L170 HydrophobicContact CB-CD2 4.02Å; F116-L170 HydrophobicContact CG-CD2 4.38Å; L166-L170 WeakPolarHBondContact O-CB 3.17Å; L166-L170 PolarHBondContact O-N 3.04Å; G167-L170 WeakPolarHBondContact O-CB 3.47Å; G167-L170 PolarHBondContact O-N 3.47Å; L170-Q172 PolarHBondContact O-N 2.92Å; L170-D173 PolarHBondContact O-N 3.36Å; L170-Y174 HydrophobicContact CD1-CD2 3.69Å; L170-Y174 HydrophobicContact CD1-CE2 3.43Å; L170-Y174 VanDerWaalsContact CD1-CE2 3.43Å; L170-Y174 PolarHBondContact O-N 3.1Å; L170-L325 HydrophobicContact CD1-CD2 3.89Å; L170-L325 HydrophobicContact CD2-CD2 4.18Å
171L94.4Very high93.5Very high50 Ų5029.2 Ų29.226%0.26215%0.15SC..Hα-helixtrans-66.1-40.1-178.9-62.2-164.9000112.3Y115 A119 G167 M169 Y175Y115-L171 WeakPolarHBondContact O-CD2 3.26Å; A119-L171 HydrophobicContact CB-CD1 4.27Å; A119-L171 HydrophobicContact CB-CD2 3.32Å; A119-L171 HydrophobicContact CB-CG 4.35Å; G167-L171 WeakPolarHBondContact O-CG 3.41Å; G167-L171 PolarHBondContact O-N 2.9Å; M169-L171 VanDerWaalsContact C-N 3.29Å; M169-L171 PolarHBondContact O-N 3.39Å; L171-Y175 HydrophobicContact CB-CD2 4.44Å; L171-Y175 HydrophobicContact CD2-CD2 4.06Å; L171-Y175 HydrophobicContact CD2-CE2 3.96Å; L171-Y175 WeakPolarHBondContact O-CA 3.43Å; L171-Y175 WeakPolarHBondContact O-CB 3.41Å; L171-Y175 WeakPolarHBondContact O-CD2 3.18Å; L171-Y175 PolarHBondContact O-N 2.96Å
172Q92.2Very high93.6Very high18 Ų1829.8 Ų29.88%0.08415%0.153CC..Hα-helixtrans-70-33.1-179.2-78.8-177.5100.900113.1A168 M169 L170 L201 L202 H203 R205 T206A168-Q172 VanDerWaalsContact O-CB 3.29Å; A168-Q172 WeakPolarHBondContact O-CB 3.46Å; A168-Q172 WeakPolarHBondContact O-CG 3.49Å; A168-Q172 PolarHBondContact O-N 2.9Å; A168-Q172 VanDerWaalsContact O-N 3.1Å; A168-Q172 PolarHBondContact O-NE2 3.41Å; A168-Q172 VanDerWaalsContact O-NE2 3.07Å; M169-Q172 PolarHBondContact O-N 3.43Å; M169-Q172 VanDerWaalsContact O-N 3.16Å; L170-Q172 PolarHBondContact O-N 2.92Å; Q172-L201 PolarHBondContact NE2-O 2.91Å; Q172-L202 VanDerWaalsContact OE1-CA 3.26Å; Q172-H203 PolarHBondContact OE1-CD2 2.81Å; Q172-R205 PolarHBondContact O-NH2 3.34Å; Q172-T206 PolarHBondContact OE1-OG1 2.88Å
173D89.5Confident93.7Very high58 Ų5827.2 Ų27.231%0.3114%0.14SC..Hα-helixtrans-71.8-44.3178.8-73.4-20.8000111.4V37 M169 L170 H203V37-D173 HydrophobicContact CG1-CB 4.41Å; M169-D173 PolarHBondContact O-N 3.07Å; L170-D173 PolarHBondContact O-N 3.36Å; D173-H203 IonicContact OD1-NE2 2.86Å
174Y92.6Very high93.7Very high17 Ų1727.2 Ų27.27%0.06714%0.14CC..Hα-helixtrans-86.5-36.9-175-68.2-8.6000114.2W23 V37 S40 Y41 N44 F116 L170 C176W23-Y174 WeakPolarHBondContact CZ2-O 3.49Å; V37-Y174 HydrophobicContact CG1-CD1 4.32Å; V37-Y174 HydrophobicContact CG1-CE1 4.45Å; S40-Y174 PolarHBondContact OG-OH 3.43Å; Y41-Y174 HydrophobicContact CD2-CD1 4.2Å; Y41-Y174 AromaticContact CD2-CD2 3.64Å; Y41-Y174 HydrophobicContact CD2-CD2 3.64Å; Y41-Y174 HydrophobicContact CD2-CE2 4.28Å; Y41-Y174 AromaticContact CD2-CG 3.59Å; Y41-Y174 HydrophobicContact CD2-CG 3.59Å; Y41-Y174 HydrophobicContact CE2-CD2 4.47Å; Y41-Y174 HydrophobicContact CG-CD1 4.35Å; Y41-Y174 HydrophobicContact CG-CG 4.17Å; N44-Y174 HydrophobicContact CB-CE2 4.37Å; N44-Y174 PolarHBondContact ND2-OH 2.91Å; F116-Y174 AromaticContact CE2-CD2 3.95Å; F116-Y174 HydrophobicContact CE2-CD2 3.95Å; F116-Y174 HydrophobicContact CE2-CE2 4.35Å; F116-Y174 HydrophobicContact CZ-CD2 4.19Å; F116-Y174 HydrophobicContact CZ-CE2 4.15Å; L170-Y174 HydrophobicContact CD1-CD2 3.69Å; L170-Y174 HydrophobicContact CD1-CE2 3.43Å; L170-Y174 VanDerWaalsContact CD1-CE2 3.43Å; L170-Y174 PolarHBondContact O-N 3.1Å; Y174-C176 PolarHBondContact O-N 3.47Å
175Y92.9Very high93.8Very high22 Ų2224 Ų249%0.08613%0.126CC..SBendtrans-106.455.2-173.8-54.6-75.4000111.3Y41 F116 A119 E120 Y123 L171 L178Y41-Y175 HydrophobicContact CE2-CE1 4.26Å; F116-Y175 HydrophobicContact CD2-CE2 4.34Å; F116-Y175 VanDerWaalsContact CD2-OH 3.27Å; F116-Y175 WeakPolarHBondContact CD2-OH 3.01Å; F116-Y175 VanDerWaalsContact CE2-OH 3.23Å; F116-Y175 WeakPolarHBondContact CE2-OH 3.33Å; A119-Y175 HydrophobicContact CB-CD2 3.67Å; A119-Y175 HydrophobicContact CB-CE1 4.47Å; A119-Y175 HydrophobicContact CB-CE2 3.3Å; A119-Y175 HydrophobicContact CB-CG 4.4Å; E120-Y175 WeakPolarHBondContact CA-OH 3.24Å; E120-Y175 PolarHBondContact N-OH 3.42Å; E120-Y175 PolarHBondContact OE2-OH 3.34Å; Y123-Y175 AromaticContact CD1-CD1 3.89Å; Y123-Y175 HydrophobicContact CD1-CD1 3.89Å; Y123-Y175 AromaticContact CD1-CE1 3.61Å; Y123-Y175 HydrophobicContact CD1-CE1 3.61Å; Y123-Y175 HydrophobicContact CD2-CD1 4.34Å; Y123-Y175 HydrophobicContact CE1-CE1 4.46Å; Y123-Y175 AromaticContact CG-CD1 3.73Å; Y123-Y175 HydrophobicContact CG-CD1 3.73Å; Y123-Y175 AromaticContact CG-CE1 3.79Å; Y123-Y175 HydrophobicContact CG-CE1 3.79Å; L171-Y175 HydrophobicContact CB-CD2 4.44Å; L171-Y175 HydrophobicContact CD2-CD2 4.06Å; L171-Y175 HydrophobicContact CD2-CE2 3.96Å; L171-Y175 WeakPolarHBondContact O-CA 3.43Å; L171-Y175 WeakPolarHBondContact O-CB 3.41Å; L171-Y175 WeakPolarHBondContact O-CD2 3.18Å; L171-Y175 PolarHBondContact O-N 2.96Å; Y175-L178 HydrophobicContact CD1-CD2 4Å; Y175-L178 HydrophobicContact CG-CD2 4.18Å; Y175-L178 WeakPolarHBondContact O-CB 3.47Å
176C85.3Confident93.6Very high5 Ų526.1 Ų26.13%0.03414%0.136CC..THydrogen-bonded Turntrans-65.6140.3179.865.60000112.1Y174 L178 R205Y174-C176 PolarHBondContact O-N 3.47Å; C176-L178 PolarHBondContact O-N 3.22Å; C176-R205 VanDerWaalsContact CB-NH2 3.32Å
177E89.6Confident93.3Very high49 Ų4925.6 Ų25.623%0.22913%0.134CC..THydrogen-bonded Turntrans5025.3-178-64.6-56.2128.500115.2R22 T25 R205 K209R22-E177 HydrophobicContact CB-CB 4.19Å; R22-E177 HydrophobicContact CG-CB 4.27Å; T25-E177 HydrophobicContact CG2-CG 3.96Å; E177-R205 WeakPolarHBondContact OE1-CD 3.35Å; E177-K209 IonicContact OE1-NZ 3.32Å; E177-K209 IonicContact OE2-NZ 2.67Å; E177-K209 PolarHBondContact OE2-NZ 2.55Å
178L93.7Very high92.6Very high7 Ų729.1 Ų29.14%0.03716%0.158CC..  trans-83.5-35.4176.7-171.359.7000112.3Y123 V126 G138 I139 Y175 C176 T180Y123-L178 HydrophobicContact CD2-CD1 3.69Å; Y123-L178 HydrophobicContact CD2-CD2 3.87Å; Y123-L178 HydrophobicContact CD2-CG 4.43Å; Y123-L178 HydrophobicContact CE2-CD1 4.27Å; Y123-L178 HydrophobicContact CG-CD2 4.22Å; V126-L178 HydrophobicContact CB-CD1 3.97Å; V126-L178 HydrophobicContact CG1-CD1 3.7Å; V126-L178 HydrophobicContact CG2-CD1 3.93Å; G138-L178 CarbonylContact C-O 3.35Å; G138-L178 WeakPolarHBondContact CA-O 3.43Å; I139-L178 HydrophobicContact CD1-CD2 3.55Å; I139-L178 HydrophobicContact CD1-CG 3.75Å; I139-L178 HydrophobicContact CG1-CD2 4.3Å; I139-L178 HydrophobicContact CG1-CG 3.99Å; I139-L178 PolarHBondContact N-O 3.13Å; Y175-L178 HydrophobicContact CD1-CD2 4Å; Y175-L178 HydrophobicContact CG-CD2 4.18Å; Y175-L178 WeakPolarHBondContact O-CB 3.47Å; C176-L178 PolarHBondContact O-N 3.22Å; L178-T180 PolarHBondContact O-N 3.12Å
179L95.3Very high92Very high30 Ų3033.4 Ų33.416%0.15719%0.187CC..EExtended strand (participates in β ladder)trans-71.4122.3178.7-170.766.1000109.7L141 A181 F182 T206 K209L141-L179 HydrophobicContact CB-CD1 3.72Å; L141-L179 HydrophobicContact CD2-CD1 4.26Å; L179-A181 WeakPolarHBondContact CD1-O 3.48Å; L179-F182 HydrophobicContact CD1-CB 4.15Å; L179-F182 HydrophobicContact CD2-CB 3.89Å; L179-F182 HydrophobicContact CD2-CD1 4.21Å; L179-F182 HydrophobicContact CD2-CG 4.37Å; L179-F182 HydrophobicContact CG-CB 4.27Å; L179-T206 HydrophobicContact CD2-CG2 3.66Å; L179-K209 HydrophobicContact CB-CD 4.38Å; L179-K209 HydrophobicContact CD2-CB 4.41Å; L179-K209 HydrophobicContact CG-CD 4.45Å; L179-K209 WeakPolarHBondContact O-CD 3.22Å; L179-K209 WeakPolarHBondContact O-CE 3.41Å; L179-K209 PolarHBondContact O-NZ 3.41Å
180T96.3Very high91.7Very high54 Ų5432.1 Ų32.133%0.33118%0.178SC..EExtended strand (participates in β ladder)trans-87.2-48.9173.1-54.10000110D85 G138 I139 L178D85-T180 HydrophobicContact CB-CG2 4.33Å; G138-T180 WeakPolarHBondContact CA-OG1 3.33Å; I139-T180 PolarHBondContact O-N 3.4Å; L178-T180 PolarHBondContact O-N 3.12Å
181A96.6Very high91.5Very high5 Ų533.3 Ų33.34%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-148.4147.2179.200000110.6I139 L141 L179 Y183I139-A181 PolarHBondContact O-N 3.26Å; L141-A181 PolarHBondContact N-O 3.17Å; L179-A181 WeakPolarHBondContact CD1-O 3.48Å; A181-Y183 HydrophobicContact CB-CD2 4.32Å; A181-Y183 HydrophobicContact CB-CE2 3.5Å; A181-Y183 VanDerWaalsContact CB-CE2 3.5Å
182F96.4Very high91.2Very high20 Ų2039.8 Ų39.89%0.08821%0.21CC..EExtended strand (participates in β ladder)trans-130.1100.2178.4-171.3-173.5000111.2L141 Y143 L179 L184 K209 V210 H211L141-F182 HydrophobicContact CB-CD2 3.98Å; L141-F182 HydrophobicContact CB-CE2 4.49Å; L141-F182 HydrophobicContact CD2-CD2 3.86Å; L141-F182 HydrophobicContact CD2-CE2 3.69Å; L141-F182 HydrophobicContact CD2-CG 4.37Å; L141-F182 HydrophobicContact CD2-CZ 4.06Å; L141-F182 HydrophobicContact CG-CD2 3.86Å; L141-F182 HydrophobicContact CG-CE2 3.87Å; L141-F182 CarbonylContact O-C 3.54Å; L141-F182 WeakPolarHBondContact O-CA 3.38Å; Y143-F182 AromaticContact CD1-CE2 3.51Å; Y143-F182 HydrophobicContact CD1-CE2 3.51Å; Y143-F182 AromaticContact CD1-CZ 3.97Å; Y143-F182 HydrophobicContact CD1-CZ 3.97Å; Y143-F182 AromaticContact CD2-CE2 3.87Å; Y143-F182 HydrophobicContact CD2-CE2 3.87Å; Y143-F182 AromaticContact CD2-CZ 3.63Å; Y143-F182 HydrophobicContact CD2-CZ 3.63Å; Y143-F182 HydrophobicContact CE1-CE2 4.04Å; Y143-F182 HydrophobicContact CE1-CZ 4.14Å; Y143-F182 HydrophobicContact CE2-CE2 4.35Å; Y143-F182 AromaticContact CE2-CZ 3.82Å; Y143-F182 HydrophobicContact CE2-CZ 3.82Å; Y143-F182 AromaticContact CG-CE2 3.43Å; Y143-F182 HydrophobicContact CG-CE2 3.43Å; Y143-F182 VanDerWaalsContact CG-CE2 3.43Å; Y143-F182 AromaticContact CG-CZ 3.72Å; Y143-F182 HydrophobicContact CG-CZ 3.72Å; L179-F182 HydrophobicContact CD1-CB 4.15Å; L179-F182 HydrophobicContact CD2-CB 3.89Å; L179-F182 HydrophobicContact CD2-CD1 4.21Å; L179-F182 HydrophobicContact CD2-CG 4.37Å; L179-F182 HydrophobicContact CG-CB 4.27Å; F182-L184 HydrophobicContact CD2-CD2 3.76Å; F182-L184 HydrophobicContact CE1-CD2 4.18Å; F182-L184 HydrophobicContact CE2-CD2 3.31Å; F182-L184 HydrophobicContact CG-CD2 4.36Å; F182-L184 HydrophobicContact CZ-CD2 3.55Å; F182-K209 WeakPolarHBondContact CB-O 3.26Å; F182-K209 PolarHBondContact N-O 2.96Å; F182-V210 HydrophobicContact CD1-CG2 3.86Å; F182-V210 CarbonylContact O-C 3.59Å; F182-V210 WeakPolarHBondContact O-CA 3.35Å; F182-H211 PolarHBondContact O-N 2.97Å
183Y96.3Very high91.1Very high11 Ų1141.3 Ų41.34%0.04322%0.22CC..EExtended strand (participates in β ladder)trans-91.4128.4-179.2-59.2-71.4000111T140 L141 I142 Y143 A181 H211 I213 L222 I226T140-Y183 HydrophobicContact CG2-CD2 3.97Å; T140-Y183 HydrophobicContact CG2-CE2 3.74Å; L141-Y183 PolarHBondContact O-N 3.33Å; I142-Y183 CarbonylContact C-O 3.58Å; I142-Y183 WeakPolarHBondContact CA-O 3.47Å; I142-Y183 HydrophobicContact CG1-CD2 4.44Å; Y143-Y183 PolarHBondContact N-O 2.89Å; A181-Y183 HydrophobicContact CB-CD2 4.32Å; A181-Y183 HydrophobicContact CB-CE2 3.5Å; A181-Y183 VanDerWaalsContact CB-CE2 3.5Å; Y183-H211 CarbonylContact C-O 3.59Å; Y183-H211 WeakPolarHBondContact CA-O 3.35Å; Y183-H211 HydrophobicContact CD1-CB 3.62Å; Y183-H211 HydrophobicContact CE1-CB 3.8Å; Y183-H211 AromaticContact CE1-CD2 3.67Å; Y183-H211 AromaticContact CE1-CG 3.95Å; Y183-I213 HydrophobicContact CD1-CD1 4.12Å; Y183-I213 HydrophobicContact CD1-CG1 4.04Å; Y183-L222 HydrophobicContact CD1-CD2 4.27Å; Y183-L222 HydrophobicContact CD2-CD2 4.33Å; Y183-L222 HydrophobicContact CG-CD2 3.96Å; Y183-I226 HydrophobicContact CD2-CD1 4.08Å; Y183-I226 HydrophobicContact CE2-CD1 4.07Å; Y183-I226 HydrophobicContact CE2-CG1 4.33Å
184L95.3Very high91.2Very high4 Ų438.9 Ų38.92%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-108.7115.2172.9-47.6-178.2000107.9Y143 Y145 F182 I194 V210 H211 F212 I213Y143-L184 HydrophobicContact CG-CD2 4.45Å; Y145-L184 HydrophobicContact CE2-CB 4.16Å; Y145-L184 HydrophobicContact CE2-CD2 4.04Å; Y145-L184 HydrophobicContact CE2-CG 4.48Å; F182-L184 HydrophobicContact CD2-CD2 3.76Å; F182-L184 HydrophobicContact CE1-CD2 4.18Å; F182-L184 HydrophobicContact CE2-CD2 3.31Å; F182-L184 HydrophobicContact CG-CD2 4.36Å; F182-L184 HydrophobicContact CZ-CD2 3.55Å; L184-I194 HydrophobicContact CD1-CG2 3.71Å; L184-V210 HydrophobicContact CD1-CG1 3.49Å; L184-V210 VanDerWaalsContact CD1-CG1 3.49Å; L184-V210 HydrophobicContact CG-CG1 3.93Å; L184-H211 PolarHBondContact N-O 3.48Å; L184-F212 HydrophobicContact CB-CD1 4.15Å; L184-F212 HydrophobicContact CB-CE1 4.34Å; L184-F212 HydrophobicContact CD1-CD1 4.09Å; L184-F212 HydrophobicContact CD1-CE1 3.53Å; L184-F212 HydrophobicContact CD1-CE2 4.2Å; L184-F212 HydrophobicContact CD1-CZ 3.59Å; L184-I213 PolarHBondContact O-N 2.82Å
185V95.1Very high91.1Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-114.6159.3-176.8-52.90000110.4I142 Y143 D144 Y145 A187 I213 M218 L222 Y235I142-V185 HydrophobicContact CG2-CG1 3.99Å; I142-V185 HydrophobicContact CG2-CG2 4.05Å; Y143-V185 PolarHBondContact O-N 3.35Å; D144-V185 HydrophobicContact CB-CG2 3.81Å; Y145-V185 WeakPolarHBondContact CB-O 3.1Å; Y145-V185 PolarHBondContact N-O 2.93Å; V185-A187 PolarHBondContact O-N 2.76Å; V185-I213 HydrophobicContact CG1-CB 4.14Å; V185-I213 HydrophobicContact CG1-CG1 4.47Å; V185-M218 HydrophobicContact CB-CG 4.14Å; V185-M218 HydrophobicContact CB-SD 3.56Å; V185-M218 VanDerWaalsContact CB-SD 3.56Å; V185-M218 HydrophobicContact CG1-CG 3.88Å; V185-M218 HydrophobicContact CG1-SD 3.79Å; V185-M218 HydrophobicContact CG2-SD 3.75Å; V185-L222 HydrophobicContact CG1-CD1 4.1Å; V185-Y235 HydrophobicContact CG2-CE1 4.14Å
186N92.2Very high91Very high62 Ų6241.7 Ų41.733%0.33224%0.235SC..SBendtrans54.125.8179.9-60-35.9000114.2D144 Y145 E146D144-N186 WeakPolarHBondContact OD1-CB 3.44Å; D144-N186 PolarHBondContact OD1-ND2 2.85Å; Y145-N186 WeakPolarHBondContact CB-O 3.36Å; E146-N186 HydrophobicContact CB-CB 3.88Å
187A89.3Confident91.2Very high3 Ų343.2 Ų43.23%0.02524%0.242CC..  trans-100.35.6-171.600000114.1Y145 V185 S189 W190 I191 I194Y145-A187 HydrophobicContact CD2-CB 3.89Å; Y145-A187 HydrophobicContact CG-CB 3.92Å; V185-A187 PolarHBondContact O-N 2.76Å; A187-S189 VanDerWaalsContact C-N 3.33Å; A187-S189 PolarHBondContact O-N 2.89Å; A187-W190 CarbonylContact O-C 3.48Å; A187-W190 WeakPolarHBondContact O-CA 3.44Å; A187-W190 PolarHBondContact O-N 3.37Å; A187-I191 WeakPolarHBondContact O-CG1 3.4Å; A187-I191 PolarHBondContact O-N 3.1Å; A187-I191 VanDerWaalsContact O-N 3.16Å; A187-I194 HydrophobicContact CB-CD1 3.65Å
188S81.4Confident91.3Very high75 Ų7541.3 Ų41.352%0.52424%0.235SC..G310 helixtrans-52.5-44.3-16553.70000113.8W190S188-W190 PolarHBondContact O-N 2.95Å
189S81.6Confident91.3Very high104 Ų10448 Ų4873%0.72726%0.264SS*.G310 helixtrans-68-13.7178.3-56.10000114.3A187A187-S189 VanDerWaalsContact C-N 3.33Å; A187-S189 PolarHBondContact O-N 2.89Å
190W85.6Confident91Very high59 Ų5955.1 Ų55.122%0.22329%0.289CS..G310 helixtrans-124.5-2.6-164.7-68125.3000115.2F148 L150 L151 A187 S188 K192 V193 I194F148-W190 PolarHBondContact O-NE1 3.48Å; L150-W190 HydrophobicContact CB-CB 4.41Å; L150-W190 HydrophobicContact CB-CD2 3.55Å; L150-W190 HydrophobicContact CB-CE3 3.77Å; L150-W190 HydrophobicContact CB-CG 3.82Å; L150-W190 HydrophobicContact CB-CZ3 4.38Å; L150-W190 HydrophobicContact CD2-CB 3.61Å; L150-W190 HydrophobicContact CD2-CD2 4.14Å; L150-W190 HydrophobicContact CD2-CE3 4.14Å; L150-W190 HydrophobicContact CD2-CG 3.94Å; L150-W190 HydrophobicContact CG-CD2 4.5Å; L150-W190 HydrophobicContact CG-CE3 4.49Å; L151-W190 HydrophobicContact CD1-CH2 3.9Å; L151-W190 HydrophobicContact CD2-CH2 3.95Å; L151-W190 HydrophobicContact CD2-CZ3 3.78Å; L151-W190 HydrophobicContact CG-CH2 3.45Å; L151-W190 VanDerWaalsContact CG-CH2 3.45Å; L151-W190 HydrophobicContact CG-CZ2 4.44Å; L151-W190 HydrophobicContact CG-CZ3 3.79Å; A187-W190 CarbonylContact O-C 3.48Å; A187-W190 WeakPolarHBondContact O-CA 3.44Å; A187-W190 PolarHBondContact O-N 3.37Å; S188-W190 PolarHBondContact O-N 2.95Å; W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.33Å; W190-K192 VanDerWaalsContact O-N 3.09Å; W190-V193 HydrophobicContact CE3-CG2 4.22Å; W190-V193 PolarHBondContact O-N 3.21Å; W190-I194 HydrophobicContact CB-CD1 3.78Å; W190-I194 HydrophobicContact CB-CG1 4.14Å; W190-I194 WeakPolarHBondContact O-CG1 3.4Å; W190-I194 PolarHBondContact O-N 3.2Å
191I89.4Confident90.7Very high46 Ų4653.9 Ų53.924%0.23628%0.28CS..Hα-helixtrans-47.6-47-172.2-61.2176.8000112.9A187 V193 I194 L195 F212 T214A187-I191 WeakPolarHBondContact O-CG1 3.4Å; A187-I191 PolarHBondContact O-N 3.1Å; A187-I191 VanDerWaalsContact O-N 3.16Å; I191-V193 PolarHBondContact O-N 3.5Å; I191-I194 PolarHBondContact O-N 2.85Å; I191-L195 HydrophobicContact CG2-CD1 3.85Å; I191-L195 HydrophobicContact CG2-CG 4.3Å; I191-L195 WeakPolarHBondContact O-CB 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.48Å; I191-L195 PolarHBondContact O-N 3.05Å; I191-F212 HydrophobicContact CB-CD1 4.36Å; I191-F212 HydrophobicContact CB-CE1 4.19Å; I191-F212 HydrophobicContact CD1-CD1 4.42Å; I191-F212 HydrophobicContact CG1-CD1 3.89Å; I191-F212 HydrophobicContact CG1-CE1 4.15Å; I191-F212 HydrophobicContact CG2-CD1 3.97Å; I191-F212 HydrophobicContact CG2-CE1 3.8Å; I191-F212 HydrophobicContact CG2-CE2 4.49Å; I191-F212 HydrophobicContact CG2-CG 4.37Å; I191-F212 HydrophobicContact CG2-CZ 4.09Å; I191-T214 HydrophobicContact CD1-CG2 3.47Å; I191-T214 VanDerWaalsContact CD1-CG2 3.47Å
192K89.2Confident90.5Very high187 Ų18755.2 Ų55.281%0.81329%0.286SS*.Hα-helixtrans-63.3-41.6-178.4-69.4-177.6-179.41760112.6W190 G196W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.33Å; W190-K192 VanDerWaalsContact O-N 3.09Å; K192-G196 PolarHBondContact O-N 2.84Å
193V89.4Confident90.2Very high49 Ų4957.5 Ų57.530%0.29730%0.297SS..Hα-helixtrans-69.4-44.3179.3-179.60000109.6L150 W190 I191 L195 G196 I197L150-V193 HydrophobicContact CD2-CB 3.59Å; L150-V193 HydrophobicContact CD2-CG1 3.46Å; L150-V193 VanDerWaalsContact CD2-CG1 3.46Å; L150-V193 HydrophobicContact CG-CB 4.48Å; L150-V193 HydrophobicContact CG-CG1 3.88Å; W190-V193 HydrophobicContact CE3-CG2 4.22Å; W190-V193 PolarHBondContact O-N 3.21Å; I191-V193 PolarHBondContact O-N 3.5Å; V193-L195 PolarHBondContact O-N 2.95Å; V193-G196 PolarHBondContact O-N 3.22Å; V193-G196 VanDerWaalsContact O-N 3.15Å; V193-I197 HydrophobicContact CG1-CD1 4.04Å; V193-I197 WeakPolarHBondContact O-CG1 3.44Å; V193-I197 PolarHBondContact O-N 2.97Å
194I90.8Very high89.9Confident8 Ų862.2 Ų62.24%0.04133%0.329CS..Hα-helixtrans-60-47.6176.9-61.1164.5000110.8Y145 L150 L184 A187 W190 I191 G196 I197 A198 F212Y145-I194 HydrophobicContact CD1-CD1 3.7Å; Y145-I194 HydrophobicContact CD1-CG1 4.4Å; Y145-I194 HydrophobicContact CD2-CD1 4.35Å; Y145-I194 HydrophobicContact CE1-CD1 3.41Å; Y145-I194 VanDerWaalsContact CE1-CD1 3.41Å; Y145-I194 HydrophobicContact CE1-CG1 3.72Å; Y145-I194 HydrophobicContact CE2-CD1 4.09Å; Y145-I194 HydrophobicContact CG-CD1 4.18Å; L150-I194 HydrophobicContact CD2-CD1 4.33Å; L150-I194 HydrophobicContact CD2-CG1 3.46Å; L150-I194 VanDerWaalsContact CD2-CG1 3.46Å; L184-I194 HydrophobicContact CD1-CG2 3.71Å; A187-I194 HydrophobicContact CB-CD1 3.65Å; W190-I194 HydrophobicContact CB-CD1 3.78Å; W190-I194 HydrophobicContact CB-CG1 4.14Å; W190-I194 WeakPolarHBondContact O-CG1 3.4Å; W190-I194 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 2.85Å; I194-G196 VanDerWaalsContact C-N 3.29Å; I194-G196 PolarHBondContact O-N 3.43Å; I194-I197 PolarHBondContact O-N 3.25Å; I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.27Å; I194-A198 PolarHBondContact O-N 3.36Å; I194-F212 HydrophobicContact CB-CE1 4.32Å; I194-F212 HydrophobicContact CB-CZ 4.45Å; I194-F212 HydrophobicContact CD1-CE1 4.42Å; I194-F212 HydrophobicContact CG2-CE1 4.19Å; I194-F212 HydrophobicContact CG2-CZ 4.15Å
195L90.9Very high89.6Confident54 Ų5464.5 Ų64.528%0.28334%0.337SS..Hα-helixtrans-59.6-39176-78.7175.4000112.4I191 V193 K199 F212I191-L195 HydrophobicContact CG2-CD1 3.85Å; I191-L195 HydrophobicContact CG2-CG 4.3Å; I191-L195 WeakPolarHBondContact O-CB 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.48Å; I191-L195 PolarHBondContact O-N 3.05Å; V193-L195 PolarHBondContact O-N 2.95Å; L195-K199 WeakPolarHBondContact O-CB 3.42Å; L195-K199 VanDerWaalsContact O-CG 3.22Å; L195-K199 WeakPolarHBondContact O-CG 3.48Å; L195-K199 PolarHBondContact O-N 3.23Å; L195-F212 HydrophobicContact CD1-CE2 4.38Å; L195-F212 HydrophobicContact CD1-CZ 4.46Å; L195-F212 HydrophobicContact CD2-CE2 3.42Å; L195-F212 VanDerWaalsContact CD2-CE2 3.42Å; L195-F212 HydrophobicContact CD2-CZ 3.67Å; L195-F212 HydrophobicContact CG-CE2 3.8Å; L195-F212 HydrophobicContact CG-CZ 3.63Å
196G90.6Very high89.4Confident43 Ų4365.5 Ų65.544%0.44334%0.343SS..Hα-helixtrans-62.8-45.4175.600000112.4K192 V193 I194 R200K192-G196 PolarHBondContact O-N 2.84Å; V193-G196 PolarHBondContact O-N 3.22Å; V193-G196 VanDerWaalsContact O-N 3.15Å; I194-G196 VanDerWaalsContact C-N 3.29Å; I194-G196 PolarHBondContact O-N 3.43Å; G196-R200 PolarHBondContact O-N 3.05Å
197I90.5Very high89.4Confident37 Ų3765 Ų6519%0.1934%0.34CS..Hα-helixtrans-64.8-49.1175.9-65.9167.9000110.3L150 M161 V193 I194 K199 R200 L201L150-I197 HydrophobicContact CD1-CD1 4.32Å; M161-I197 HydrophobicContact CE-CG2 4.14Å; V193-I197 HydrophobicContact CG1-CD1 4.04Å; V193-I197 WeakPolarHBondContact O-CG1 3.44Å; V193-I197 PolarHBondContact O-N 2.97Å; I194-I197 PolarHBondContact O-N 3.25Å; I197-K199 PolarHBondContact O-N 3.03Å; I197-R200 PolarHBondContact O-N 3.48Å; I197-L201 WeakPolarHBondContact O-CB 3.37Å; I197-L201 PolarHBondContact O-N 3.04Å
198A92Very high89.6Confident10 Ų1067.9 Ų67.98%0.08337%0.37CS..Hα-helixtrans-58.8-44.6-178.400000111.9I194 R200 L201 L202 L207I194-A198 VanDerWaalsContact O-CB 3.24Å; I194-A198 WeakPolarHBondContact O-CB 3.27Å; I194-A198 PolarHBondContact O-N 3.36Å; A198-R200 PolarHBondContact O-N 3.29Å; A198-L201 PolarHBondContact O-N 3.32Å; A198-L202 HydrophobicContact CB-CD1 3.93Å; A198-L202 HydrophobicContact CB-CG 4.37Å; A198-L202 VanDerWaalsContact O-CB 3.23Å; A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.44Å; A198-L202 PolarHBondContact O-N 3.01Å; A198-L207 HydrophobicContact CB-CD1 3.93Å
199K92.7Very high90.2Very high148 Ų14866.2 Ų66.264%0.64335%0.354SS*.Hα-helixtrans-62.1-29.3176.6-77173.4-179.3-177.80113.7L195 I197 L207L195-K199 WeakPolarHBondContact O-CB 3.42Å; L195-K199 VanDerWaalsContact O-CG 3.22Å; L195-K199 WeakPolarHBondContact O-CG 3.48Å; L195-K199 PolarHBondContact O-N 3.23Å; I197-K199 PolarHBondContact O-N 3.03Å; K199-L207 HydrophobicContact CG-CD2 3.96Å
200R89.8Confident90.8Very high179 Ų17962.3 Ų62.368%0.67533%0.325SS*.Hα-helixtrans-84.2-35.6179.3-178.1174.2-179.2-100.71.2112.3G196 I197 A198G196-R200 PolarHBondContact O-N 3.05Å; I197-R200 PolarHBondContact O-N 3.48Å; A198-R200 PolarHBondContact O-N 3.29Å
201L90.4Very high91.2Very high27 Ų2762.5 Ų62.514%0.14133%0.328CS..Hα-helixtrans-99.1-33.4-169.4-175.161.1000113.7F164 A168 Q172 I197 A198F164-L201 HydrophobicContact CD1-CD2 3.89Å; F164-L201 HydrophobicContact CE1-CD2 3.4Å; F164-L201 HydrophobicContact CZ-CD2 4.26Å; A168-L201 HydrophobicContact CB-CD1 4.03Å; A168-L201 HydrophobicContact CB-CD2 3.68Å; A168-L201 HydrophobicContact CB-CG 3.91Å; Q172-L201 PolarHBondContact NE2-O 2.91Å; I197-L201 WeakPolarHBondContact O-CB 3.37Å; I197-L201 PolarHBondContact O-N 3.04Å; A198-L201 PolarHBondContact O-N 3.32Å
202L92.1Very high91.4Very high33 Ų3363 Ų6317%0.17333%0.329CS..SBendtrans-94141-172.3-55.7-176.6000111.7Q172 A198 T206 L207 V210Q172-L202 VanDerWaalsContact OE1-CA 3.26Å; A198-L202 HydrophobicContact CB-CD1 3.93Å; A198-L202 HydrophobicContact CB-CG 4.37Å; A198-L202 VanDerWaalsContact O-CB 3.23Å; A198-L202 WeakPolarHBondContact O-CB 3.49Å; A198-L202 WeakPolarHBondContact O-CG 3.44Å; A198-L202 PolarHBondContact O-N 3.01Å; L202-T206 HydrophobicContact CB-CG2 4.43Å; L202-T206 HydrophobicContact CD1-CG2 4.21Å; L202-T206 HydrophobicContact CD2-CG2 4.24Å; L202-L207 HydrophobicContact CB-CB 4.5Å; L202-V210 HydrophobicContact CD1-CG2 4.12Å
203H89.8Confident91.5Very high68 Ų6854.7 Ų54.732%0.31529%0.294SS..  trans-61151.1166.5-66.8-55.8000110.8Q172 D173 R205 T206 L207Q172-H203 PolarHBondContact OE1-CD2 2.81Å; D173-H203 IonicContact OD1-NE2 2.86Å; H203-R205 HydrophobicContact CB-CG 4.01Å; H203-R205 PolarHBondContact O-N 3.18Å; H203-R205 VanDerWaalsContact O-N 3.12Å; H203-T206 WeakPolarHBondContact O-CB 3.05Å; H203-T206 PolarHBondContact O-N 2.9Å; H203-L207 PolarHBondContact O-N 3.41Å
204P89.9Confident91.1Very high110 Ų11055.8 Ų55.871%0.71430%0.3SS*.Hα-helixtrans-51.8-38.5178.1-28.835.6000113.9T206 L207 G208P204-T206 VanDerWaalsContact C-N 3.33Å; P204-T206 PolarHBondContact O-N 2.97Å; P204-L207 PolarHBondContact O-N 3.05Å; P204-G208 PolarHBondContact O-N 3.19Å
205R88.5Confident90.1Very high52 Ų5257.6 Ų57.620%0.19632%0.321CS..Hα-helixtrans-61.3-37.8177.171.3-169.3-175.5-1751113.3G26 Q172 C176 E177 H203G26-R205 PolarHBondContact O-NH1 3.22Å; Q172-R205 PolarHBondContact O-NH2 3.34Å; C176-R205 VanDerWaalsContact CB-NH2 3.32Å; E177-R205 WeakPolarHBondContact OE1-CD 3.35Å; H203-R205 HydrophobicContact CB-CG 4.01Å; H203-R205 PolarHBondContact O-N 3.18Å; H203-R205 VanDerWaalsContact O-N 3.12Å
206T90.8Very high88.9Confident21 Ų2163 Ų6313%0.12935%0.35CS..Hα-helixtrans-78.1-43.2178.7-47.50000110Q172 L179 L202 H203 P204 G208 K209Q172-T206 PolarHBondContact OE1-OG1 2.88Å; L179-T206 HydrophobicContact CD2-CG2 3.66Å; L202-T206 HydrophobicContact CB-CG2 4.43Å; L202-T206 HydrophobicContact CD1-CG2 4.21Å; L202-T206 HydrophobicContact CD2-CG2 4.24Å; H203-T206 WeakPolarHBondContact O-CB 3.05Å; H203-T206 PolarHBondContact O-N 2.9Å; P204-T206 VanDerWaalsContact C-N 3.33Å; P204-T206 PolarHBondContact O-N 2.97Å; T206-G208 VanDerWaalsContact C-N 3.25Å; T206-G208 PolarHBondContact O-N 3.09Å; T206-K209 PolarHBondContact O-N 2.88Å
207L92.7Very high88.6Confident51 Ų5166 Ų6627%0.26735%0.352SS..Hα-helixtrans-58.5-37.6177.7-176.564.3000112A198 K199 L202 H203 P204 K209 V210A198-L207 HydrophobicContact CB-CD1 3.93Å; K199-L207 HydrophobicContact CG-CD2 3.96Å; L202-L207 HydrophobicContact CB-CB 4.5Å; H203-L207 PolarHBondContact O-N 3.41Å; P204-L207 PolarHBondContact O-N 3.05Å; L207-K209 PolarHBondContact O-N 2.96Å; L207-V210 WeakPolarHBondContact O-CB 3.44Å; L207-V210 PolarHBondContact O-N 3.35Å
208G93Very high88.5Confident64 Ų6464.9 Ų64.966%0.6635%0.346SS*.THydrogen-bonded Turntrans-64.7-14.9176.600000115P204 T206P204-G208 PolarHBondContact O-N 3.19Å; T206-G208 VanDerWaalsContact C-N 3.25Å; T206-G208 PolarHBondContact O-N 3.09Å
209K94.5Very high88.5Confident41 Ų4169.4 Ų69.418%0.17836%0.364CS..THydrogen-bonded Turntrans-99.71.1178.9-59.3178.2-177.5175.50112.9E177 L179 F182 T206 L207 H211E177-K209 IonicContact OE1-NZ 3.32Å; E177-K209 IonicContact OE2-NZ 2.67Å; E177-K209 PolarHBondContact OE2-NZ 2.55Å; L179-K209 HydrophobicContact CB-CD 4.38Å; L179-K209 HydrophobicContact CD2-CB 4.41Å; L179-K209 HydrophobicContact CG-CD 4.45Å; L179-K209 WeakPolarHBondContact O-CD 3.22Å; L179-K209 WeakPolarHBondContact O-CE 3.41Å; L179-K209 PolarHBondContact O-NZ 3.41Å; F182-K209 WeakPolarHBondContact CB-O 3.26Å; F182-K209 PolarHBondContact N-O 2.96Å; T206-K209 PolarHBondContact O-N 2.88Å; L207-K209 PolarHBondContact O-N 2.96Å; K209-H211 PolarHBondContact O-CD2 2.74Å; K209-H211 VanDerWaalsContact O-CD2 3.24Å
210V94.9Very high88.5Confident21 Ų2167.7 Ų67.713%0.12736%0.359CS..EExtended strand (participates in β ladder)trans-80.5125.8178.5179.70000110.3F182 L184 L202 L207 F212F182-V210 HydrophobicContact CD1-CG2 3.86Å; F182-V210 CarbonylContact O-C 3.59Å; F182-V210 WeakPolarHBondContact O-CA 3.35Å; L184-V210 HydrophobicContact CD1-CG1 3.49Å; L184-V210 VanDerWaalsContact CD1-CG1 3.49Å; L184-V210 HydrophobicContact CG-CG1 3.93Å; L202-V210 HydrophobicContact CD1-CG2 4.12Å; L207-V210 WeakPolarHBondContact O-CB 3.44Å; L207-V210 PolarHBondContact O-N 3.35Å; V210-F212 HydrophobicContact CG1-CD2 4.46Å; V210-F212 HydrophobicContact CG1-CE2 3.94Å; V210-F212 HydrophobicContact CG1-CZ 4.4Å
211H94.3Very high88.7Confident63 Ų6361.9 Ų61.929%0.29234%0.339SS..EExtended strand (participates in β ladder)trans-126.7119.4179.1-58.8-62.9000110.1F182 Y183 L184 K209F182-H211 PolarHBondContact O-N 2.97Å; Y183-H211 CarbonylContact C-O 3.59Å; Y183-H211 WeakPolarHBondContact CA-O 3.35Å; Y183-H211 HydrophobicContact CD1-CB 3.62Å; Y183-H211 HydrophobicContact CE1-CB 3.8Å; Y183-H211 AromaticContact CE1-CD2 3.67Å; Y183-H211 AromaticContact CE1-CG 3.95Å; L184-H211 PolarHBondContact N-O 3.48Å; K209-H211 PolarHBondContact O-CD2 2.74Å; K209-H211 VanDerWaalsContact O-CD2 3.24Å
212F93.4Very high89Confident56 Ų5660.6 Ų60.625%0.24633%0.332CS..EExtended strand (participates in β ladder)trans-83.1124.8171.5-67.8-92.5000109.4L184 I191 I194 L195 V210 T214L184-F212 HydrophobicContact CB-CD1 4.15Å; L184-F212 HydrophobicContact CB-CE1 4.34Å; L184-F212 HydrophobicContact CD1-CD1 4.09Å; L184-F212 HydrophobicContact CD1-CE1 3.53Å; L184-F212 HydrophobicContact CD1-CE2 4.2Å; L184-F212 HydrophobicContact CD1-CZ 3.59Å; I191-F212 HydrophobicContact CB-CD1 4.36Å; I191-F212 HydrophobicContact CB-CE1 4.19Å; I191-F212 HydrophobicContact CD1-CD1 4.42Å; I191-F212 HydrophobicContact CG1-CD1 3.89Å; I191-F212 HydrophobicContact CG1-CE1 4.15Å; I191-F212 HydrophobicContact CG2-CD1 3.97Å; I191-F212 HydrophobicContact CG2-CE1 3.8Å; I191-F212 HydrophobicContact CG2-CE2 4.49Å; I191-F212 HydrophobicContact CG2-CG 4.37Å; I191-F212 HydrophobicContact CG2-CZ 4.09Å; I194-F212 HydrophobicContact CB-CE1 4.32Å; I194-F212 HydrophobicContact CB-CZ 4.45Å; I194-F212 HydrophobicContact CD1-CE1 4.42Å; I194-F212 HydrophobicContact CG2-CE1 4.19Å; I194-F212 HydrophobicContact CG2-CZ 4.15Å; L195-F212 HydrophobicContact CD1-CE2 4.38Å; L195-F212 HydrophobicContact CD1-CZ 4.46Å; L195-F212 HydrophobicContact CD2-CE2 3.42Å; L195-F212 VanDerWaalsContact CD2-CE2 3.42Å; L195-F212 HydrophobicContact CD2-CZ 3.67Å; L195-F212 HydrophobicContact CG-CE2 3.8Å; L195-F212 HydrophobicContact CG-CZ 3.63Å; V210-F212 HydrophobicContact CG1-CD2 4.46Å; V210-F212 HydrophobicContact CG1-CE2 3.94Å; V210-F212 HydrophobicContact CG1-CZ 4.4Å; F212-T214 HydrophobicContact CB-CG2 4.21Å
213I91.4Very high89.3Confident14 Ų1460.4 Ų60.47%0.07233%0.333CS..EExtended strand (participates in β ladder)trans-107.9104.1169.6-51.2-60.8000106.5Y183 L184 V185 M218 E221 L222Y183-I213 HydrophobicContact CD1-CD1 4.12Å; Y183-I213 HydrophobicContact CD1-CG1 4.04Å; L184-I213 PolarHBondContact O-N 2.82Å; V185-I213 HydrophobicContact CG1-CB 4.14Å; V185-I213 HydrophobicContact CG1-CG1 4.47Å; I213-M218 HydrophobicContact CG2-CB 4.08Å; I213-M218 HydrophobicContact CG2-CG 4.26Å; I213-E221 HydrophobicContact CD1-CB 4.49Å; I213-E221 HydrophobicContact CG2-CB 3.97Å; I213-L222 HydrophobicContact CG1-CD2 4.18Å
214T80.8Confident89.5Confident72 Ų7263.4 Ų63.444%0.44235%0.345SS..  trans-106.9143-172.256.90000111.8I191 F212I191-T214 HydrophobicContact CD1-CG2 3.47Å; I191-T214 VanDerWaalsContact CD1-CG2 3.47Å; F212-T214 HydrophobicContact CB-CG2 4.21Å
215G68.7Low89.8Confident46 Ų4663.1 Ų63.147%0.47433%0.33SS..SBendtrans83.1-178.5175.700000113.5H217 M218G215-H217 PolarHBondContact O-N 2.77Å; G215-M218 PolarHBondContact O-N 2.91Å
216D67.1Low90.2Very high166 Ų16660.6 Ų60.689%0.88832%0.32SS*.THydrogen-bonded Turntrans-66.7-6.3-173.7-57.9-29.2000113.6M218D216-M218 PolarHBondContact O-N 2.81Å
217H82.5Confident90.6Very high107 Ų10760.1 Ų60.150%0.49532%0.318SS..THydrogen-bonded Turntrans-76.30.7179.2-57.8-67.8000114.4G215 K219 E220 E221G215-H217 PolarHBondContact O-N 2.77Å; H217-K219 PolarHBondContact O-N 3.49Å; H217-E220 IonicContact CE1-OE2 3.9Å; H217-E220 IonicContact CG-OE2 3.76Å; H217-E220 IonicContact ND1-OE2 3.32Å; H217-E220 PolarHBondContact ND1-OE2 3.26Å; H217-E220 CarbonylContact O-C 3.51Å; H217-E220 WeakPolarHBondContact O-CA 3.41Å; H217-E220 WeakPolarHBondContact O-CB 3.34Å; H217-E220 PolarHBondContact O-N 3.5Å; H217-E221 HydrophobicContact CB-CG 4.25Å; H217-E221 WeakPolarHBondContact O-CB 3.35Å; H217-E221 PolarHBondContact O-N 3.17Å
218M90.4Very high90.8Very high13 Ų1361.4 Ų61.46%0.06433%0.325CS..Hα-helixtrans-53.4-43.7178.3-179.4-16367.400112.1V185 I213 G215 D216 E220 E221 L222 E234 Y235V185-M218 HydrophobicContact CB-CG 4.14Å; V185-M218 HydrophobicContact CB-SD 3.56Å; V185-M218 VanDerWaalsContact CB-SD 3.56Å; V185-M218 HydrophobicContact CG1-CG 3.88Å; V185-M218 HydrophobicContact CG1-SD 3.79Å; V185-M218 HydrophobicContact CG2-SD 3.75Å; I213-M218 HydrophobicContact CG2-CB 4.08Å; I213-M218 HydrophobicContact CG2-CG 4.26Å; G215-M218 PolarHBondContact O-N 2.91Å; D216-M218 PolarHBondContact O-N 2.81Å; M218-E220 PolarHBondContact O-N 2.74Å; M218-E221 PolarHBondContact O-N 2.75Å; M218-L222 HydrophobicContact CG-CD1 3.46Å; M218-L222 VanDerWaalsContact CG-CD1 3.46Å; M218-L222 HydrophobicContact CG-CG 4.01Å; M218-L222 PolarHBondContact O-N 2.84Å; M218-L222 HydrophobicContact SD-CD1 4.09Å; M218-E234 WeakPolarHBondContact CE-O 3.43Å; M218-Y235 HydrophobicContact CE-CD1 3.79Å; M218-Y235 HydrophobicContact CE-CG 4.5Å; M218-Y235 HydrophobicContact SD-CD1 3.64Å; M218-Y235 HydrophobicContact SD-CE1 4.3Å
219K92Very high91.1Very high106 Ų10663.5 Ų63.546%0.46132%0.321SS..Hα-helixtrans-67.9-10178-65.7-173.5174.6-178.90113.5H217 P223 E234H217-K219 PolarHBondContact O-N 3.49Å; K219-P223 WeakPolarHBondContact O-CD 3.26Å; K219-P223 VanDerWaalsContact O-CG 3.3Å; K219-P223 WeakPolarHBondContact O-CG 3.41Å; K219-E234 WeakPolarHBondContact CE-O 3.47Å; K219-E234 IonicContact NZ-OE1 3.04Å; K219-E234 PolarHBondContact NZ-OE1 3.36Å
220E92.6Very high91.3Very high112 Ų11261.6 Ų61.652%0.52331%0.312SS..Hα-helixtrans-104.8-35.9175.8-59.9176.1163.600111.8H217 M218 K224H217-E220 IonicContact CE1-OE2 3.9Å; H217-E220 IonicContact CG-OE2 3.76Å; H217-E220 IonicContact ND1-OE2 3.32Å; H217-E220 PolarHBondContact ND1-OE2 3.26Å; H217-E220 CarbonylContact O-C 3.51Å; H217-E220 WeakPolarHBondContact O-CA 3.41Å; H217-E220 WeakPolarHBondContact O-CB 3.34Å; H217-E220 PolarHBondContact O-N 3.5Å; M218-E220 PolarHBondContact O-N 2.74Å; E220-K224 WeakPolarHBondContact O-CE 3.38Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å
221E94Very high91.4Very high57 Ų5760.6 Ų60.627%0.26631%0.306SS..Hα-helixtrans-83.1-42.5-174.5-74.5-58.4123.800113.4I213 H217 M218 K224I213-E221 HydrophobicContact CD1-CB 4.49Å; I213-E221 HydrophobicContact CG2-CB 3.97Å; H217-E221 HydrophobicContact CB-CG 4.25Å; H217-E221 WeakPolarHBondContact O-CB 3.35Å; H217-E221 PolarHBondContact O-N 3.17Å; M218-E221 PolarHBondContact O-N 2.75Å; E221-K224 WeakPolarHBondContact O-CB 3.34Å; E221-K224 PolarHBondContact O-N 2.86Å; E221-K224 VanDerWaalsContact O-N 3.12Å; E221-K224 IonicContact OE1-NZ 3.87Å; E221-K224 PolarHBondContact OE1-NZ 2.95Å
222L96.6Very high91.6Very high0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-62.8-43.1178.9-68.4175.6000111.9I142 Y183 V185 I213 M218 K224 R225 I226 L231 Y235I142-L222 HydrophobicContact CD1-CD1 4.12Å; I142-L222 HydrophobicContact CD1-CD2 4.34Å; Y183-L222 HydrophobicContact CD1-CD2 4.27Å; Y183-L222 HydrophobicContact CD2-CD2 4.33Å; Y183-L222 HydrophobicContact CG-CD2 3.96Å; V185-L222 HydrophobicContact CG1-CD1 4.1Å; I213-L222 HydrophobicContact CG1-CD2 4.18Å; M218-L222 HydrophobicContact CG-CD1 3.46Å; M218-L222 VanDerWaalsContact CG-CD1 3.46Å; M218-L222 HydrophobicContact CG-CG 4.01Å; M218-L222 PolarHBondContact O-N 2.84Å; M218-L222 HydrophobicContact SD-CD1 4.09Å; L222-K224 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact O-N 3.08Å; L222-R225 PolarHBondContact O-N 2.75Å; L222-I226 HydrophobicContact CD2-CD1 4.26Å; L222-I226 PolarHBondContact O-N 2.9Å; L222-L231 HydrophobicContact CB-CD1 4.19Å; L222-L231 HydrophobicContact CB-CD2 3.72Å; L222-L231 HydrophobicContact CD1-CD1 4.2Å; L222-Y235 HydrophobicContact CD1-CD1 4.26Å; L222-Y235 HydrophobicContact CD1-CG 4.42Å
223P96.5Very high91.8Very high29 Ų2957.5 Ų57.519%0.18830%0.296CS..Hα-helixtrans-60.1-16.1173.4-30.940.2000115.9K84 K219 L228 L231 G236K84-P223 PolarHBondContact NZ-O 2.96Å; K219-P223 WeakPolarHBondContact O-CD 3.26Å; K219-P223 VanDerWaalsContact O-CG 3.3Å; K219-P223 WeakPolarHBondContact O-CG 3.41Å; P223-L228 HydrophobicContact CB-CD2 3.76Å; P223-L228 HydrophobicContact CG-CD2 4.16Å; P223-L231 HydrophobicContact CG-CD2 3.87Å; P223-G236 WeakPolarHBondContact CG-O 3.46Å
224K95.4Very high92Very high131 Ų13159.6 Ų59.657%0.5731%0.306SS*.Hα-helixtrans-76.5-29172.1-64.7170.9-170.6171.10111.4K84 E220 E221 L222K84-K224 PolarHBondContact NZ-O 3.41Å; E220-K224 WeakPolarHBondContact O-CE 3.38Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å; E221-K224 WeakPolarHBondContact O-CB 3.34Å; E221-K224 PolarHBondContact O-N 2.86Å; E221-K224 VanDerWaalsContact O-N 3.12Å; E221-K224 IonicContact OE1-NZ 3.87Å; E221-K224 PolarHBondContact OE1-NZ 2.95Å; L222-K224 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact O-N 3.08Å
225R95.3Very high92.7Very high103 Ų10356.2 Ų56.239%0.38929%0.285SS..Hα-helixtrans-106.9-26.8-171.9-62.1168.6176.2-98.5-0.3114.1N82 K84 L222N82-R225 PolarHBondContact ND2-O 2.73Å; K84-R225 WeakPolarHBondContact CD-O 3.39Å; L222-R225 PolarHBondContact O-N 2.75Å
226I97.9Very high94Very high0 Ų055.2 Ų55.20%028%0.275CS..SBendtrans-119.3141-177.5-53177.7000108.6N82 K84 V89 T140 I142 Y183 L222 A230 L231N82-I226 HydrophobicContact CB-CG2 4.35Å; N82-I226 WeakPolarHBondContact OD1-CA 3.23Å; K84-I226 PolarHBondContact NZ-O 2.95Å; V89-I226 HydrophobicContact CG2-CG2 3.84Å; T140-I226 HydrophobicContact CG2-CD1 3.58Å; T140-I226 HydrophobicContact CG2-CG1 3.99Å; I142-I226 HydrophobicContact CD1-CD1 3.57Å; I142-I226 HydrophobicContact CG1-CD1 4.17Å; Y183-I226 HydrophobicContact CD2-CD1 4.08Å; Y183-I226 HydrophobicContact CE2-CD1 4.07Å; Y183-I226 HydrophobicContact CE2-CG1 4.33Å; L222-I226 HydrophobicContact CD2-CD1 4.26Å; L222-I226 PolarHBondContact O-N 2.9Å; I226-A230 HydrophobicContact CG2-CB 4.3Å; I226-L231 HydrophobicContact CB-CD1 4.49Å; I226-L231 HydrophobicContact CD1-CD1 4.12Å; I226-L231 HydrophobicContact CG2-CB 4.02Å; I226-L231 HydrophobicContact CG2-CD1 4.38Å
227S98.1Very high95.5Very high10 Ų1047.7 Ų47.77%0.0724%0.237CC..  trans-61.6139.1173.3-70.50000111N82 E83 N229 A230 L231N82-S227 PolarHBondContact OD1-N 2.76Å; N82-S227 PolarHBondContact OD1-OG 3.33Å; E83-S227 WeakPolarHBondContact CB-OG 3.35Å; E83-S227 PolarHBondContact N-OG 2.92Å; S227-N229 VanDerWaalsContact C-N 3.27Å; S227-N229 PolarHBondContact O-N 2.76Å; S227-A230 CarbonylContact O-C 3.58Å; S227-A230 WeakPolarHBondContact O-CA 3.42Å; S227-A230 PolarHBondContact O-N 2.82Å; S227-L231 PolarHBondContact O-N 2.87Å
228L98.4Very high96.2Very high79 Ų7947.2 Ų47.241%0.41424%0.237SC..G310 helixtrans-56.6-40.8-177.9-67175.5000112.2P223 A230 L231 N238P223-L228 HydrophobicContact CB-CD2 3.76Å; P223-L228 HydrophobicContact CG-CD2 4.16Å; L228-A230 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 2.84Å; L228-L231 VanDerWaalsContact O-O 3.1Å; L228-N238 PolarHBondContact O-N 2.74Å
229N97.9Very high96.6Very high107 Ų10747.4 Ų47.457%0.57224%0.237SC*.G310 helixtrans-73.3-7.6179.6-61.8-21.7000113.8S227S227-N229 VanDerWaalsContact C-N 3.27Å; S227-N229 PolarHBondContact O-N 2.76Å
230A98.3Very high96.9Very high1 Ų146.3 Ų46.31%0.00824%0.24CC..G310 helixtrans-110.75176.900000112.6V80 V81 V89 I226 S227 L228V80-A230 HydrophobicContact CG1-CB 3.89Å; V81-A230 VanDerWaalsContact O-CB 3.22Å; V81-A230 WeakPolarHBondContact O-CB 3.21Å; V89-A230 WeakPolarHBondContact CB-O 3.31Å; V89-A230 WeakPolarHBondContact CG1-O 3.38Å; V89-A230 HydrophobicContact CG2-CB 3.87Å; V89-A230 WeakPolarHBondContact CG2-O 3.38Å; I226-A230 HydrophobicContact CG2-CB 4.3Å; S227-A230 CarbonylContact O-C 3.58Å; S227-A230 WeakPolarHBondContact O-CA 3.42Å; S227-A230 PolarHBondContact O-N 2.82Å; L228-A230 PolarHBondContact O-N 3.04Å
231L98.3Very high97.1Very high0 Ų043 Ų430%022%0.224CC..SBendtrans-120.6126.2-177-176.666.6000108.8I142 L222 P223 I226 S227 L228 Y235 G237 N238 W239I142-L231 HydrophobicContact CD1-CD1 3.7Å; L222-L231 HydrophobicContact CB-CD1 4.19Å; L222-L231 HydrophobicContact CB-CD2 3.72Å; L222-L231 HydrophobicContact CD1-CD1 4.2Å; P223-L231 HydrophobicContact CG-CD2 3.87Å; I226-L231 HydrophobicContact CB-CD1 4.49Å; I226-L231 HydrophobicContact CD1-CD1 4.12Å; I226-L231 HydrophobicContact CG2-CB 4.02Å; I226-L231 HydrophobicContact CG2-CD1 4.38Å; S227-L231 PolarHBondContact O-N 2.87Å; L228-L231 PolarHBondContact O-N 2.84Å; L228-L231 VanDerWaalsContact O-O 3.1Å; L231-Y235 HydrophobicContact CD1-CG 4.43Å; L231-Y235 WeakPolarHBondContact CD2-O 3.44Å; L231-G237 CarbonylContact O-C 3.19Å; L231-G237 WeakPolarHBondContact O-CA 3.26Å; L231-N238 PolarHBondContact O-N 3.04Å; L231-N238 VanDerWaalsContact O-N 3.13Å; L231-W239 VanDerWaalsContact O-CB 3.3Å; L231-W239 WeakPolarHBondContact O-CB 3.29Å; L231-W239 PolarHBondContact O-N 2.66Å
232P98.1Very high97Very high0 Ų046.3 Ų46.30%025%0.254CS..BIsolated β-bridgetrans-63.9155.7-178.6-17.627.2000113I91 E234 Y235 G236 G237 W239 K249 T250 C251I91-P232 HydrophobicContact CD1-CG 4.21Å; I91-P232 HydrophobicContact CG1-CG 3.88Å; P232-E234 PolarHBondContact O-N 2.89Å; P232-Y235 HydrophobicContact CB-CD2 3.67Å; P232-Y235 HydrophobicContact CB-CE2 4.1Å; P232-Y235 HydrophobicContact CG-CD2 3.61Å; P232-Y235 HydrophobicContact CG-CE2 3.89Å; P232-Y235 CarbonylContact O-C 3.58Å; P232-Y235 WeakPolarHBondContact O-CA 3.44Å; P232-Y235 PolarHBondContact O-N 2.96Å; P232-G236 PolarHBondContact O-N 3.26Å; P232-G237 PolarHBondContact O-N 3.35Å; P232-G237 VanDerWaalsContact O-N 3.12Å; P232-W239 VanDerWaalsContact CA-O 3.26Å; P232-W239 WeakPolarHBondContact CA-O 3.26Å; P232-W239 HydrophobicContact CB-CE3 4.49Å; P232-W239 VanDerWaalsContact CD-CE3 3.47Å; P232-W239 HydrophobicContact CG-CD2 4.18Å; P232-W239 HydrophobicContact CG-CE3 3.52Å; P232-W239 HydrophobicContact CG-CZ3 3.84Å; P232-K249 WeakPolarHBondContact CB-O 3.39Å; P232-T250 WeakPolarHBondContact CG-O 3.27Å; P232-C251 HydrophobicContact CB-CB 4.38Å; P232-C251 HydrophobicContact CG-CB 4.1Å
233V97.7Very high96.7Very high54 Ų5447.6 Ų47.633%0.32727%0.267SS..G310 helixtrans-58.5-32.4179.4-660000113.1Y235 G236 G237 W239 T240 K249V233-Y235 PolarHBondContact O-N 3.31Å; V233-G236 PolarHBondContact O-N 2.87Å; V233-G236 VanDerWaalsContact O-N 3.15Å; V233-G237 WeakPolarHBondContact CA-O 3.23Å; V233-G237 WeakPolarHBondContact CG1-O 3.46Å; V233-W239 PolarHBondContact N-O 2.75Å; V233-W239 VanDerWaalsContact N-O 3.14Å; V233-T240 HydrophobicContact CG1-CG2 3.55Å; V233-T240 HydrophobicContact CG2-CG2 4.13Å; V233-K249 VanDerWaalsContact CG2-CA 3.44Å; V233-K249 HydrophobicContact CG2-CB 3.8Å; V233-K249 HydrophobicContact CG2-CG 3.99Å; V233-K249 WeakPolarHBondContact CG2-O 3.27Å; V233-K249 PolarHBondContact N-O 2.99Å
234E95.8Very high96.5Very high59 Ų5951.6 Ų51.628%0.27629%0.293SS..G310 helixtrans-62.1-24.5174.6-16755.9-115.700112.5M218 K219 P232 K249 T250M218-E234 WeakPolarHBondContact CE-O 3.43Å; K219-E234 WeakPolarHBondContact CE-O 3.47Å; K219-E234 IonicContact NZ-OE1 3.04Å; K219-E234 PolarHBondContact NZ-OE1 3.36Å; P232-E234 PolarHBondContact O-N 2.89Å; E234-K249 HydrophobicContact CB-CB 4.44Å; E234-K249 WeakPolarHBondContact CB-O 3.41Å; E234-K249 PolarHBondContact N-O 3.13Å; E234-T250 HydrophobicContact CB-CG2 4.07Å; E234-T250 HydrophobicContact CG-CG2 4.14Å
235Y96.1Very high96.4Very high1 Ų149.5 Ų49.50%0.00429%0.288CS..G310 helixtrans-102.99.1-179.4-53.8-77.8000113.2I91 I142 D144 V185 M218 L222 L231 P232 V233I91-Y235 HydrophobicContact CG2-CE2 3.62Å; I91-Y235 VanDerWaalsContact CG2-OH 3.26Å; I91-Y235 WeakPolarHBondContact CG2-OH 3.45Å; I142-Y235 HydrophobicContact CG2-CE1 4.49Å; D144-Y235 HydrophobicContact CB-CE1 4.21Å; D144-Y235 PolarHBondContact OD2-OH 3.16Å; V185-Y235 HydrophobicContact CG2-CE1 4.14Å; M218-Y235 HydrophobicContact CE-CD1 3.79Å; M218-Y235 HydrophobicContact CE-CG 4.5Å; M218-Y235 HydrophobicContact SD-CD1 3.64Å; M218-Y235 HydrophobicContact SD-CE1 4.3Å; L222-Y235 HydrophobicContact CD1-CD1 4.26Å; L222-Y235 HydrophobicContact CD1-CG 4.42Å; L231-Y235 HydrophobicContact CD1-CG 4.43Å; L231-Y235 WeakPolarHBondContact CD2-O 3.44Å; P232-Y235 HydrophobicContact CB-CD2 3.67Å; P232-Y235 HydrophobicContact CB-CE2 4.1Å; P232-Y235 HydrophobicContact CG-CD2 3.61Å; P232-Y235 HydrophobicContact CG-CE2 3.89Å; P232-Y235 CarbonylContact O-C 3.58Å; P232-Y235 WeakPolarHBondContact O-CA 3.44Å; P232-Y235 PolarHBondContact O-N 2.96Å; V233-Y235 PolarHBondContact O-N 3.31Å
236G95.8Very high96.5Very high25 Ų2545.6 Ų45.626%0.25828%0.276SS..THydrogen-bonded Turntrans90.813.5177.900000115.1P223 P232 V233P223-G236 WeakPolarHBondContact CG-O 3.46Å; P232-G236 PolarHBondContact O-N 3.26Å; V233-G236 PolarHBondContact O-N 2.87Å; V233-G236 VanDerWaalsContact O-N 3.15Å
237G97.7Very high96.5Very high8 Ų847.8 Ų47.88%0.08229%0.288CS..SBendtrans-101.7-158.6173.600000114.1L231 P232 V233L231-G237 CarbonylContact O-C 3.19Å; L231-G237 WeakPolarHBondContact O-CA 3.26Å; P232-G237 PolarHBondContact O-N 3.35Å; P232-G237 VanDerWaalsContact O-N 3.12Å; V233-G237 WeakPolarHBondContact CA-O 3.23Å; V233-G237 WeakPolarHBondContact CG1-O 3.46Å
238N98.3Very high96.5Very high96 Ų9650.7 Ų50.751%0.51331%0.306SS..  trans-118-7.5-176.9-67-17.6000113L228 L231 T240L228-N238 PolarHBondContact O-N 2.74Å; L231-N238 PolarHBondContact O-N 3.04Å; L231-N238 VanDerWaalsContact O-N 3.13Å; N238-T240 PolarHBondContact O-N 2.69Å
239W98.1Very high96.4Very high17 Ų1752.7 Ų52.76%0.06431%0.311CS..BIsolated β-bridgetrans-68.2126.9-179.5176.125.4000109.7T77 V80 V89 I91 L231 P232 V233 E241 C251T77-W239 HydrophobicContact CG2-CZ2 4.5Å; V80-W239 HydrophobicContact CB-CH2 4.26Å; V80-W239 HydrophobicContact CB-CZ2 4.33Å; V80-W239 HydrophobicContact CB-CZ3 4.41Å; V80-W239 HydrophobicContact CG1-CD2 3.85Å; V80-W239 HydrophobicContact CG1-CE3 3.72Å; V80-W239 HydrophobicContact CG1-CG 4.5Å; V80-W239 HydrophobicContact CG1-CH2 4.17Å; V80-W239 HydrophobicContact CG1-CZ2 4.29Å; V80-W239 HydrophobicContact CG1-CZ3 3.88Å; V80-W239 HydrophobicContact CG2-CD2 4.43Å; V80-W239 HydrophobicContact CG2-CH2 4.02Å; V80-W239 HydrophobicContact CG2-CZ2 3.63Å; V89-W239 HydrophobicContact CG1-CZ3 4.3Å; I91-W239 HydrophobicContact CG1-CH2 4.44Å; I91-W239 HydrophobicContact CG1-CZ3 3.94Å; L231-W239 VanDerWaalsContact O-CB 3.3Å; L231-W239 WeakPolarHBondContact O-CB 3.29Å; L231-W239 PolarHBondContact O-N 2.66Å; P232-W239 VanDerWaalsContact CA-O 3.26Å; P232-W239 WeakPolarHBondContact CA-O 3.26Å; P232-W239 HydrophobicContact CB-CE3 4.49Å; P232-W239 VanDerWaalsContact CD-CE3 3.47Å; P232-W239 HydrophobicContact CG-CD2 4.18Å; P232-W239 HydrophobicContact CG-CE3 3.52Å; P232-W239 HydrophobicContact CG-CZ3 3.84Å; V233-W239 PolarHBondContact N-O 2.75Å; V233-W239 VanDerWaalsContact N-O 3.14Å; W239-E241 HydrophobicContact CZ2-CG 4.47Å; W239-E241 PolarHBondContact NE1-OE1 2.84Å; W239-C251 HydrophobicContact CD2-CB 3.96Å; W239-C251 VanDerWaalsContact CE2-CB 3.49Å; W239-C251 VanDerWaalsContact CE2-SG 3.57Å; W239-C251 HydrophobicContact CE3-CB 4.33Å; W239-C251 HydrophobicContact CH2-CB 3.83Å; W239-C251 HydrophobicContact CZ2-CB 3.38Å; W239-C251 HydrophobicContact CZ3-CB 4.29Å
240T98Very high96.4Very high83 Ų8347.8 Ų47.851%0.50929%0.285SS..  trans-134158.117358.50000108.8V233 N238 P248V233-T240 HydrophobicContact CG1-CG2 3.55Å; V233-T240 HydrophobicContact CG2-CG2 4.13Å; N238-T240 PolarHBondContact O-N 2.69Å; T240-P248 WeakPolarHBondContact CA-O 3.15Å; T240-P248 WeakPolarHBondContact CB-O 3.38Å
241E96.5Very high96.4Very high43 Ų4347.8 Ų47.820%0.20129%0.285CS..  trans-128.3147.4177.1-73.6-63.4165.700110.9T77 W239 V246 P248 C251T77-E241 WeakPolarHBondContact CB-OE1 3.38Å; T77-E241 WeakPolarHBondContact CG2-OE1 3.45Å; T77-E241 PolarHBondContact OG1-OE1 2.96Å; W239-E241 HydrophobicContact CZ2-CG 4.47Å; W239-E241 PolarHBondContact NE1-OE1 2.84Å; E241-V246 HydrophobicContact CB-CB 4.36Å; E241-V246 HydrophobicContact CB-CG1 3.6Å; E241-V246 HydrophobicContact CG-CG1 4.03Å; E241-P248 PolarHBondContact N-O 3.32Å; E241-P248 VanDerWaalsContact O-CA 3.25Å; E241-P248 WeakPolarHBondContact O-CA 3.5Å; E241-P248 WeakPolarHBondContact O-CB 3.32Å; E241-C251 HydrophobicContact CB-CB 4.5Å; E241-C251 HydrophobicContact CG-CB 3.75Å
242S93.1Very high96.4Very high126 Ų12647.8 Ų47.888%0.88129%0.285SS*.  trans-122.213.3172.365.50000112.3
243G90Very high96.4Very high28 Ų2849.1 Ų49.129%0.28929%0.29SS..SBendtrans-66.9155.617900000112.9N245 V246G243-N245 PolarHBondContact O-N 2.67Å; G243-V246 PolarHBondContact O-N 3.14Å
244P91.3Very high96.3Very high113 Ų11350.6 Ų50.673%0.73430%0.296SS*.THydrogen-bonded Turntrans-62.8137.7177.427.9-34.7000110.9V246P244-V246 PolarHBondContact O-N 3.23Å
245N94.5Very high96.4Very high86 Ų8649.8 Ų49.846%0.4629%0.293SS..THydrogen-bonded Turntrans58.325.9-179.7-48.4-67.8000114.5G243 Y253 I254G243-N245 PolarHBondContact O-N 2.67Å; N245-Y253 HydrophobicContact CB-CE1 4.01Å; N245-Y253 HydrophobicContact CB-CE2 4.08Å; N245-Y253 CarbonylContact O-C 3.49Å; N245-Y253 WeakPolarHBondContact O-CA 3.25Å; N245-I254 PolarHBondContact O-N 3.1Å
246V97Very high96.3Very high22 Ų2254.9 Ų54.913%0.13332%0.315CS..BIsolated β-bridgetrans-114.6133.3174.3-178.80000109.1E241 G243 P244 C252E241-V246 HydrophobicContact CB-CB 4.36Å; E241-V246 HydrophobicContact CB-CG1 3.6Å; E241-V246 HydrophobicContact CG-CG1 4.03Å; G243-V246 PolarHBondContact O-N 3.14Å; P244-V246 PolarHBondContact O-N 3.23Å; V246-C252 WeakPolarHBondContact CA-O 2.92Å
247D97.5Very high96.3Very high46 Ų4658.9 Ų58.925%0.24634%0.337CS..  trans-69.6121.6172.7-176.1-47000108.6K249 T250 C251 C252 I254D247-K249 PolarHBondContact O-N 3.4Å; D247-K249 VanDerWaalsContact O-N 3.16Å; D247-K249 WeakPolarHBondContact OD1-CA 3.48Å; D247-K249 WeakPolarHBondContact OD1-CB 3.49Å; D247-K249 PolarHBondContact OD1-N 3.24Å; D247-T250 PolarHBondContact OD1-N 3.26Å; D247-C251 WeakPolarHBondContact O-CA 3.33Å; D247-C251 PolarHBondContact O-N 3.19Å; D247-C252 PolarHBondContact N-O 3.48Å; D247-I254 HydrophobicContact CB-CG1 4.13Å
248P97.5Very high96.2Very high70 Ų7059.1 Ų59.146%0.45534%0.336SS..THydrogen-bonded Turntrans-65.8-19.3-17526.7-35.8000114T240 E241T240-P248 WeakPolarHBondContact CA-O 3.15Å; T240-P248 WeakPolarHBondContact CB-O 3.38Å; E241-P248 PolarHBondContact N-O 3.32Å; E241-P248 VanDerWaalsContact O-CA 3.25Å; E241-P248 WeakPolarHBondContact O-CA 3.5Å; E241-P248 WeakPolarHBondContact O-CB 3.32Å
249K97.5Very high96Very high121 Ų12157.7 Ų57.753%0.52633%0.331SS..THydrogen-bonded Turntrans-96.4-35.9-176.2-64.3-177.1-179.1178.90113.5P232 V233 E234 D247P232-K249 WeakPolarHBondContact CB-O 3.39Å; V233-K249 VanDerWaalsContact CG2-CA 3.44Å; V233-K249 HydrophobicContact CG2-CB 3.8Å; V233-K249 HydrophobicContact CG2-CG 3.99Å; V233-K249 WeakPolarHBondContact CG2-O 3.27Å; V233-K249 PolarHBondContact N-O 2.99Å; E234-K249 HydrophobicContact CB-CB 4.44Å; E234-K249 WeakPolarHBondContact CB-O 3.41Å; E234-K249 PolarHBondContact N-O 3.13Å; D247-K249 PolarHBondContact O-N 3.4Å; D247-K249 VanDerWaalsContact O-N 3.16Å; D247-K249 WeakPolarHBondContact OD1-CA 3.48Å; D247-K249 WeakPolarHBondContact OD1-CB 3.49Å; D247-K249 PolarHBondContact OD1-N 3.24Å
250T97.5Very high95.8Very high4 Ų462.1 Ų62.13%0.02536%0.356CS..THydrogen-bonded Turntrans-98.7-14.6179.481.20000112.7P232 E234 D247 C252P232-T250 WeakPolarHBondContact CG-O 3.27Å; E234-T250 HydrophobicContact CB-CG2 4.07Å; E234-T250 HydrophobicContact CG-CG2 4.14Å; D247-T250 PolarHBondContact OD1-N 3.26Å; T250-C252 PolarHBondContact O-N 2.84Å; T250-C252 VanDerWaalsContact O-N 3.15Å; T250-C252 PolarHBondContact O-SG 3.26Å; T250-C252 VanDerWaalsContact O-SG 3.4Å; T250-C252 WeakPolarHBondContact OG1-CB 3.16Å; T250-C252 PolarHBondContact OG1-N 3.38Å
251C98.3Very high95.7Very high1 Ų166 Ų661%0.00737%0.369CS..  trans59.118.5-175.5-52.20000113.6S75 P232 W239 E241 D247S75-C251 VanDerWaalsContact CA-O 3.31Å; S75-C251 WeakPolarHBondContact CA-O 3.48Å; S75-C251 WeakPolarHBondContact CB-O 3.21Å; P232-C251 HydrophobicContact CB-CB 4.38Å; P232-C251 HydrophobicContact CG-CB 4.1Å; W239-C251 HydrophobicContact CD2-CB 3.96Å; W239-C251 VanDerWaalsContact CE2-CB 3.49Å; W239-C251 VanDerWaalsContact CE2-SG 3.57Å; W239-C251 HydrophobicContact CE3-CB 4.33Å; W239-C251 HydrophobicContact CH2-CB 3.83Å; W239-C251 HydrophobicContact CZ2-CB 3.38Å; W239-C251 HydrophobicContact CZ3-CB 4.29Å; E241-C251 HydrophobicContact CB-CB 4.5Å; E241-C251 HydrophobicContact CG-CB 3.75Å; D247-C251 WeakPolarHBondContact O-CA 3.33Å; D247-C251 PolarHBondContact O-N 3.19Å
252C98.2Very high95.6Very high0 Ų068 Ų680%038%0.38CS..SBendtrans-97.3153.2178.7-60.70000110.6S73 I91 V246 D247 T250 I254S73-C252 WeakPolarHBondContact OG-CB 3.27Å; I91-C252 VanDerWaalsContact CG2-SG 3.53Å; V246-C252 WeakPolarHBondContact CA-O 2.92Å; D247-C252 PolarHBondContact N-O 3.48Å; T250-C252 PolarHBondContact O-N 2.84Å; T250-C252 VanDerWaalsContact O-N 3.15Å; T250-C252 PolarHBondContact O-SG 3.26Å; T250-C252 VanDerWaalsContact O-SG 3.4Å; T250-C252 WeakPolarHBondContact OG1-CB 3.16Å; T250-C252 PolarHBondContact OG1-N 3.38Å; C252-I254 PolarHBondContact O-N 2.68Å
253Y97.5Very high95.7Very high28 Ų2864.4 Ų64.411%0.1135%0.348CS..BIsolated β-bridgetrans-56.3135.9169.3-154.8-84.1000110.7L69 P70 S73 I74 N245 N255L69-Y253 HydrophobicContact CD1-CD2 4.4Å; L69-Y253 HydrophobicContact CD1-CG 4.32Å; L69-Y253 HydrophobicContact CD2-CD2 3.68Å; L69-Y253 HydrophobicContact CD2-CE2 3.83Å; L69-Y253 HydrophobicContact CD2-CG 4.35Å; L69-Y253 HydrophobicContact CG-CD1 4.41Å; L69-Y253 HydrophobicContact CG-CD2 3.78Å; L69-Y253 HydrophobicContact CG-CE2 4.11Å; L69-Y253 HydrophobicContact CG-CG 3.93Å; P70-Y253 VanDerWaalsContact CA-CE1 3.49Å; P70-Y253 HydrophobicContact CB-CE1 3.96Å; P70-Y253 HydrophobicContact CG-CE1 4.25Å; S73-Y253 WeakPolarHBondContact CA-O 3.28Å; S73-Y253 PolarHBondContact OG-O 2.6Å; I74-Y253 PolarHBondContact O-N 2.78Å; N245-Y253 HydrophobicContact CB-CE1 4.01Å; N245-Y253 HydrophobicContact CB-CE2 4.08Å; N245-Y253 CarbonylContact O-C 3.49Å; N245-Y253 WeakPolarHBondContact O-CA 3.25Å; Y253-N255 PolarHBondContact O-N 3.46Å
254I97.1Very high95.9Very high86 Ų8664.7 Ų64.744%0.44134%0.341SS..  trans-81106.8175.3-59.3172.8000107.1N245 D247 C252N245-I254 PolarHBondContact O-N 3.1Å; D247-I254 HydrophobicContact CB-CG1 4.13Å; C252-I254 PolarHBondContact O-N 2.68Å
255N96.3Very high96Very high41 Ų4166.7 Ų66.722%0.21934%0.338CS..PPolyproline II helixtrans-68.4144179.266.1-74000111.4P70 T72 G96 V97 Y253P70-N255 CarbonylContact O-C 3.53Å; P70-N255 WeakPolarHBondContact O-CA 3.28Å; T72-N255 WeakPolarHBondContact O-CB 3.25Å; G96-N255 PolarHBondContact O-ND2 3.45Å; V97-N255 HydrophobicContact CG2-CB 4.16Å; Y253-N255 PolarHBondContact O-N 3.46Å
256K95.1Very high96Very high108 Ų10865 Ų6547%0.4733%0.331SS..PPolyproline II helixtrans-85.4147.9174.8-62.4180-177.9177.20109.8P70 I258P70-K256 HydrophobicContact CB-CD 4.03Å; P70-K256 HydrophobicContact CB-CG 4.33Å; P70-K256 PolarHBondContact O-N 2.7Å; K256-I258 PolarHBondContact O-N 2.98Å
257P94.7Very high95.8Very high110 Ų11067 Ų6771%0.71435%0.346SS*.PPolyproline II helixtrans-56.7134168.9-23.733.9000111.1
258I95.8Very high95.5Very high12 Ų1272.8 Ų72.86%0.06238%0.376CS..  trans-92.6106.9177.5-43.5-179.4000108.7L71 K101 V102 A105 K256 L262 Y263L71-I258 HydrophobicContact CB-CD1 4.1Å; L71-I258 HydrophobicContact CD2-CG1 4.2Å; K101-I258 HydrophobicContact CB-CB 3.81Å; K101-I258 HydrophobicContact CB-CD1 3.96Å; K101-I258 HydrophobicContact CB-CG1 4.45Å; K101-I258 HydrophobicContact CB-CG2 3.74Å; K101-I258 HydrophobicContact CD-CB 4.07Å; K101-I258 HydrophobicContact CD-CG2 4.46Å; K101-I258 WeakPolarHBondContact CD-O 3.43Å; K101-I258 PolarHBondContact NZ-O 3.09Å; V102-I258 HydrophobicContact CB-CD1 4.36Å; V102-I258 HydrophobicContact CG2-CD1 3.45Å; V102-I258 VanDerWaalsContact CG2-CD1 3.45Å; A105-I258 HydrophobicContact CB-CG2 4.07Å; K256-I258 PolarHBondContact O-N 2.98Å; I258-L262 HydrophobicContact CG2-CB 4.41Å; I258-L262 HydrophobicContact CG2-CD1 4.42Å; I258-Y263 HydrophobicContact CG2-CE1 4.14Å
259T95.5Very high95.1Very high67 Ų6770.5 Ų70.541%0.41136%0.359SS..  trans-97.6161.2176.363.20000110.8E261 L262T259-E261 PolarHBondContact O-N 3.04Å; T259-E261 VanDerWaalsContact O-N 3.1Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 PolarHBondContact O-N 3.04Å
260D93.6Very high94.4Very high110 Ų11069.3 Ų69.359%0.58836%0.363SS*.G310 helixtrans-61.2-21-179.8-63.4-3.8000113L262 Y263D260-L262 PolarHBondContact O-N 3.31Å; D260-Y263 HydrophobicContact CB-CD2 4.05Å; D260-Y263 HydrophobicContact CB-CE2 3.92Å; D260-Y263 WeakPolarHBondContact O-CB 3.16Å; D260-Y263 PolarHBondContact O-N 3.34Å; D260-Y263 VanDerWaalsContact O-N 3.16Å; D260-Y263 WeakPolarHBondContact OD1-CE2 3.29Å; D260-Y263 PolarHBondContact OD1-OH 3.45Å
261E94.6Very high93.7Very high165 Ų16576.3 Ų76.377%0.77140%0.401SS*.G310 helixtrans-65.4-29.2174.5-65175.4-170.300112.8T259 Y263T259-E261 PolarHBondContact O-N 3.04Å; T259-E261 VanDerWaalsContact O-N 3.1Å; E261-Y263 VanDerWaalsContact C-N 3.31Å
262L94.5Very high93.4Very high83 Ų8380 Ų8044%0.43542%0.417SS..G310 helixtrans-82.1-10.2176.4-62.3178.7000112.5L71 A105 I258 T259 D260 F264L71-L262 HydrophobicContact CD2-CD1 4.26Å; A105-L262 WeakPolarHBondContact CA-O 3.34Å; A105-L262 HydrophobicContact CB-CB 4.43Å; A105-L262 WeakPolarHBondContact CB-O 3.43Å; I258-L262 HydrophobicContact CG2-CB 4.41Å; I258-L262 HydrophobicContact CG2-CD1 4.42Å; T259-L262 WeakPolarHBondContact O-CB 3.46Å; T259-L262 PolarHBondContact O-N 3.04Å; D260-L262 PolarHBondContact O-N 3.31Å; L262-F264 PolarHBondContact O-N 3.08Å
263Y95.6Very high93.3Very high52 Ų5282.8 Ų82.820%0.20444%0.436CS..SBendtrans-62.7139.8178.7-66.2-9.1000110.8K101 L104 I258 D260 E261 K265K101-Y263 HydrophobicContact CB-CE1 4.12Å; K101-Y263 HydrophobicContact CD-CE1 4.34Å; K101-Y263 WeakPolarHBondContact CD-OH 3.46Å; K101-Y263 WeakPolarHBondContact CE-OH 3.22Å; K101-Y263 HydrophobicContact CG-CE1 4.09Å; K101-Y263 WeakPolarHBondContact CG-OH 3.39Å; L104-Y263 HydrophobicContact CB-CD1 3.66Å; L104-Y263 HydrophobicContact CB-CD2 4.36Å; L104-Y263 HydrophobicContact CB-CE1 3.84Å; L104-Y263 HydrophobicContact CB-CG 3.97Å; L104-Y263 HydrophobicContact CD1-CD2 4.48Å; L104-Y263 HydrophobicContact CD1-CE1 4.12Å; L104-Y263 HydrophobicContact CD1-CE2 3.97Å; L104-Y263 WeakPolarHBondContact O-CA 3.27Å; I258-Y263 HydrophobicContact CG2-CE1 4.14Å; D260-Y263 HydrophobicContact CB-CD2 4.05Å; D260-Y263 HydrophobicContact CB-CE2 3.92Å; D260-Y263 WeakPolarHBondContact O-CB 3.16Å; D260-Y263 PolarHBondContact O-N 3.34Å; D260-Y263 VanDerWaalsContact O-N 3.16Å; D260-Y263 WeakPolarHBondContact OD1-CE2 3.29Å; D260-Y263 PolarHBondContact OD1-OH 3.45Å; E261-Y263 VanDerWaalsContact C-N 3.31Å; Y263-K265 PolarHBondContact O-N 3.14Å
264F93.9Very high93.3Very high33 Ų3388.7 Ų88.715%0.14546%0.458CS..  trans-60.7128.6176.5174.5-101.8000109.6L104 T107 L262 P266 L335 E338L104-F264 PolarHBondContact O-N 2.75Å; T107-F264 HydrophobicContact CG2-CD1 4.42Å; T107-F264 HydrophobicContact CG2-CD2 3.69Å; T107-F264 HydrophobicContact CG2-CE1 4.18Å; T107-F264 HydrophobicContact CG2-CE2 3.41Å; T107-F264 VanDerWaalsContact CG2-CE2 3.41Å; T107-F264 HydrophobicContact CG2-CG 4.19Å; T107-F264 HydrophobicContact CG2-CZ 3.68Å; L262-F264 PolarHBondContact O-N 3.08Å; F264-P266 HydrophobicContact CD1-CG 4.1Å; F264-P266 HydrophobicContact CE1-CB 4.04Å; F264-P266 HydrophobicContact CE1-CG 3.85Å; F264-L335 HydrophobicContact CB-CD2 3.95Å; F264-L335 HydrophobicContact CD1-CD2 3.72Å; F264-L335 HydrophobicContact CG-CD2 4.34Å; F264-L335 WeakPolarHBondContact O-CD2 3.12Å; F264-E338 HydrophobicContact CZ-CB 3.93Å; F264-E338 HydrophobicContact CZ-CG 3.94Å
265K94.4Very high93.4Very high155 Ų15586.1 Ų86.167%0.67445%0.446SS*.  trans-108.4106.3178.9-66.3176.6-173.1171.30107.7Y263 S267Y263-K265 PolarHBondContact O-N 3.14Å; K265-S267 PolarHBondContact O-N 2.99Å
266P93.9Very high93.5Very high50 Ų5091.6 Ų91.633%0.32546%0.464SS..  trans-60.9137.7-177.8-21.431.8000111.7F264 K334 P336 E338F264-P266 HydrophobicContact CD1-CG 4.1Å; F264-P266 HydrophobicContact CE1-CB 4.04Å; F264-P266 HydrophobicContact CE1-CG 3.85Å; P266-K334 VanDerWaalsContact CG-O 3.25Å; P266-K334 WeakPolarHBondContact CG-O 2.87Å; P266-P336 HydrophobicContact CB-CG 3.9Å; P266-P336 HydrophobicContact CG-CG 4.27Å; P266-E338 WeakPolarHBondContact CA-OE1 3.4Å; P266-E338 WeakPolarHBondContact CB-OE1 3.3Å
267S93.5Very high93.6Very high64 Ų6486.6 Ų86.645%0.44844%0.442SS..  trans-66.6150.9171.9-56.40000110.8K265 F269 Q299 E338K265-S267 PolarHBondContact O-N 2.99Å; S267-F269 PolarHBondContact O-N 2.97Å; S267-Q299 PolarHBondContact O-NE2 2.85Å; S267-E338 WeakPolarHBondContact CB-OE2 3.03Å; S267-E338 PolarHBondContact N-OE1 3.05Å; S267-E338 PolarHBondContact N-OE2 3.5Å; S267-E338 PolarHBondContact OG-OE2 3.48Å
268I90.8Very high93.7Very high168 Ų16884.2 Ų84.286%0.86243%0.427SS*.  trans-82.9112.7174.7-58.4174.4000108.7
269F89.8Confident93.7Very high23 Ų2385 Ų8510%0.10143%0.433CS..  trans-108.1117.7170.3-83.7-100.3000110.5S267 K297 Q299 A368S267-F269 PolarHBondContact O-N 2.97Å; F269-K297 HydrophobicContact CE1-CB 4.29Å; F269-K297 HydrophobicContact CZ-CB 3.86Å; F269-Q299 HydrophobicContact CD1-CB 4.47Å; F269-Q299 HydrophobicContact CD2-CB 3.49Å; F269-Q299 VanDerWaalsContact CD2-CB 3.49Å; F269-Q299 HydrophobicContact CD2-CG 4.28Å; F269-Q299 HydrophobicContact CE2-CB 3.65Å; F269-Q299 HydrophobicContact CG-CB 3.92Å; F269-Q299 HydrophobicContact CZ-CB 4.21Å; F269-A368 HydrophobicContact CB-CB 3.74Å; F269-A368 HydrophobicContact CD1-CB 3.79Å; F269-A368 HydrophobicContact CG-CB 4.08Å
270P81.2Confident93.6Very high95 Ų9586.4 Ų86.462%0.61744%0.438SS*.SBendtrans-72.1161.6168.531.4-33.3000110.8
271N84.7Confident93.8Very high152 Ų15287.3 Ų87.381%0.81344%0.436SS*.SBendtrans60.651.4168.9-53.2-36.7000115.6S273N271-S273 PolarHBondContact O-N 2.82Å
272K92Very high93.9Very high79 Ų7986 Ų8634%0.34343%0.428SS..  trans-63.1133173.2-61.1-176.1-176.5-176.70111.1F301 E333 Y367 A368K272-F301 HydrophobicContact CD-CE1 4.48Å; K272-E333 IonicContact NZ-OE1 2.7Å; K272-E333 PolarHBondContact NZ-OE1 3.25Å; K272-Y367 WeakPolarHBondContact CA-O 3.33Å; K272-A368 HydrophobicContact CG-CB 4.27Å
273S96Very high94.1Very high57 Ų5785.3 Ų85.340%0.39942%0.42SS..EExtended strand (participates in β ladder)trans-100.7147.2172.4-68.60000110.3N271 D366 Y367N271-S273 PolarHBondContact O-N 2.82Å; S273-D366 CarbonylContact O-C 3.53Å; S273-D366 WeakPolarHBondContact O-CA 3.29Å; S273-Y367 PolarHBondContact N-O 2.83Å; S273-Y367 PolarHBondContact O-N 3.19Å
274R97.6Very high94.2Very high153 Ų15385.3 Ų85.358%0.57743%0.427SS*.EExtended strand (participates in β ladder)trans-118.7129.6175.9178174.3-68.5156.76.6110.7R364 L365 D366R274-R364 HydrophobicContact CG-CG 4.14Å; R274-L365 CarbonylContact C-O 3.51Å; R274-L365 WeakPolarHBondContact CA-O 3.03Å; R274-D366 IonicContact CZ-OD1 2.84Å; R274-D366 IonicContact NE-OD1 3.31Å; R274-D366 PolarHBondContact NE-OD1 3.25Å; R274-D366 IonicContact NE-OD2 3.47Å; R274-D366 IonicContact NH2-OD1 3.89Å; R274-D366 PolarHBondContact NH2-OD1 2.81Å; R274-D366 IonicContact NH2-OD2 3.6Å
275V97.6Very high94.3Very high31 Ų3184 Ų8419%0.18842%0.422CS..EExtended strand (participates in β ladder)trans-131.6145.5179.4179.70000109.7I277 Y283 L365 Y367V275-I277 HydrophobicContact CG1-CG1 4.17Å; V275-Y283 HydrophobicContact CG1-CD1 4.34Å; V275-Y283 HydrophobicContact CG1-CD2 3.85Å; V275-Y283 HydrophobicContact CG1-CE1 4.5Å; V275-Y283 HydrophobicContact CG1-CE2 4.02Å; V275-Y283 HydrophobicContact CG1-CG 4.02Å; V275-Y283 HydrophobicContact CG2-CE1 3.99Å; V275-Y283 HydrophobicContact CG2-CE2 4.11Å; V275-L365 PolarHBondContact N-O 2.96Å; V275-L365 PolarHBondContact O-N 3.23Å; V275-Y367 HydrophobicContact CG2-CE1 3.95Å
276W98Very high94.4Very high156 Ų15682.1 Ų82.159%0.59142%0.416SS*.EExtended strand (participates in β ladder)trans-107.5115170.6-66.891.8000108.9P278 L363 R364W276-P278 WeakPolarHBondContact O-CD 3.17Å; W276-L363 CarbonylContact C-O 3.57Å; W276-L363 WeakPolarHBondContact CA-O 3.41Å; W276-R364 HydrophobicContact CD2-CB 4.34Å; W276-R364 HydrophobicContact CD2-CG 4.34Å; W276-R364 HydrophobicContact CE3-CB 3.88Å; W276-R364 HydrophobicContact CE3-CG 4.36Å; W276-R364 HydrophobicContact CH2-CB 3.89Å; W276-R364 HydrophobicContact CH2-CG 4.01Å; W276-R364 HydrophobicContact CZ2-CB 4.3Å; W276-R364 HydrophobicContact CZ2-CG 3.95Å; W276-R364 HydrophobicContact CZ3-CB 3.66Å; W276-R364 HydrophobicContact CZ3-CG 4.22Å
277I97.9Very high94.5Very high3 Ų380.3 Ų80.32%0.01540%0.404CS..EExtended strand (participates in β ladder)trans-98.2112.3-177.7-50.9180000108.2V275 K281 Y283 F353 N355 S362 L363 L365V275-I277 HydrophobicContact CG1-CG1 4.17Å; I277-K281 HydrophobicContact CG2-CB 4.39Å; I277-K281 WeakPolarHBondContact CG2-O 3.33Å; I277-Y283 HydrophobicContact CD1-CG 4.45Å; I277-F353 HydrophobicContact CD1-CB 3.6Å; I277-N355 HydrophobicContact CB-CB 4.28Å; I277-N355 HydrophobicContact CG2-CB 3.8Å; I277-N355 PolarHBondContact O-ND2 2.98Å; I277-S362 CarbonylContact O-C 3.57Å; I277-S362 WeakPolarHBondContact O-CA 3.49Å; I277-L363 HydrophobicContact CB-CD2 4.49Å; I277-L363 HydrophobicContact CD1-CD2 4.1Å; I277-L363 HydrophobicContact CG1-CD2 4.37Å; I277-L363 PolarHBondContact N-O 3.06Å; I277-L363 PolarHBondContact O-N 2.87Å; I277-L365 HydrophobicContact CD1-CB 4.21Å; I277-L365 HydrophobicContact CD1-CD2 3.98Å
278P96.7Very high94.5Very high60 Ų6081.5 Ų81.539%0.3941%0.409SS..  trans-61.6158.9178.3-21.232.6000112.5W276 N280 K281 N355W276-P278 WeakPolarHBondContact O-CD 3.17Å; P278-N280 PolarHBondContact O-N 3.05Å; P278-K281 HydrophobicContact CB-CB 4.29Å; P278-K281 HydrophobicContact CB-CG 3.84Å; P278-K281 HydrophobicContact CG-CG 4.29Å; P278-K281 WeakPolarHBondContact O-CB 3.06Å; P278-K281 PolarHBondContact O-N 2.98Å; P278-K281 VanDerWaalsContact O-N 3.08Å; P278-N355 WeakPolarHBondContact O-CB 3.31Å; P278-N355 PolarHBondContact O-ND2 3.26Å
279P95.6Very high94.7Very high30 Ų3073.6 Ų73.620%0.19537%0.368CS..THydrogen-bonded Turntrans-51.6137.3177-26.734.2000113.1K281 T359P279-K281 PolarHBondContact O-N 3.31Å; P279-T359 WeakPolarHBondContact CB-O 3.45Å; P279-T359 WeakPolarHBondContact CG-O 3.29Å
280N94.6Very high94.8Very high96 Ų9678.5 Ų78.551%0.51340%0.4SS..THydrogen-bonded Turntrans57.313.5-177.8-56.8-63.1000115.2P278 W354 N355P278-N280 PolarHBondContact O-N 3.05Å; N280-W354 PolarHBondContact O-NE1 3.21Å; N280-N355 WeakPolarHBondContact CA-O 3.25Å; N280-N355 PolarHBondContact N-O 3.35Å
281K96.7Very high95.1Very high129 Ų12979.6 Ų79.656%0.56140%0.395SS*.  trans-102.7153176.6-59.8-56.7-176.71800111.9I277 P278 P279 W354 N355I277-K281 HydrophobicContact CG2-CB 4.39Å; I277-K281 WeakPolarHBondContact CG2-O 3.33Å; P278-K281 HydrophobicContact CB-CB 4.29Å; P278-K281 HydrophobicContact CB-CG 3.84Å; P278-K281 HydrophobicContact CG-CG 4.29Å; P278-K281 WeakPolarHBondContact O-CB 3.06Å; P278-K281 PolarHBondContact O-N 2.98Å; P278-K281 VanDerWaalsContact O-N 3.08Å; P279-K281 PolarHBondContact O-N 3.31Å; K281-W354 VanDerWaalsContact O-CD1 3.31Å; K281-N355 PolarHBondContact O-N 3.01Å
282K97.1Very high95.4Very high136 Ų13673.9 Ų73.959%0.59137%0.372SS*.EExtended strand (participates in β ladder)trans-102.2149.2176.4-62.1-173.8179.3-176.90110.4F353 W354K282-F353 CarbonylContact C-O 3.6Å; K282-F353 VanDerWaalsContact CA-O 3.24Å; K282-F353 WeakPolarHBondContact CA-O 3.38Å; K282-W354 HydrophobicContact CG-CB 4Å; K282-W354 HydrophobicContact CG-CG 3.96Å
283Y98Very high95.3Very high69 Ų6971.6 Ų71.627%0.27137%0.371SS..EExtended strand (participates in β ladder)trans-129.8130.5166.6177.4-103.3000108V275 I277 A285 F353 L365 Y367V275-Y283 HydrophobicContact CG1-CD1 4.34Å; V275-Y283 HydrophobicContact CG1-CD2 3.85Å; V275-Y283 HydrophobicContact CG1-CE1 4.5Å; V275-Y283 HydrophobicContact CG1-CE2 4.02Å; V275-Y283 HydrophobicContact CG1-CG 4.02Å; V275-Y283 HydrophobicContact CG2-CE1 3.99Å; V275-Y283 HydrophobicContact CG2-CE2 4.11Å; I277-Y283 HydrophobicContact CD1-CG 4.45Å; Y283-A285 HydrophobicContact CE1-CB 4.31Å; Y283-F353 HydrophobicContact CD1-CD2 4.12Å; Y283-F353 PolarHBondContact N-O 2.91Å; Y283-F353 PolarHBondContact O-N 2.83Å; Y283-L365 HydrophobicContact CD1-CD2 4Å; Y283-L365 HydrophobicContact CE1-CD2 4.45Å; Y283-Y367 AromaticContact CE1-CE1 3.83Å; Y283-Y367 HydrophobicContact CE1-CE1 3.83Å; Y283-Y367 AromaticContact CE1-CZ 3.84Å; Y283-Y367 PolarHBondContact OH-OH 2.99Å
284C97.5Very high95.2Very high53 Ų5369.3 Ų69.336%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-121.3121179.3-60.90000108.7E286 L351C284-E286 PolarHBondContact O-N 2.98Å; C284-L351 WeakPolarHBondContact CA-O 3.4Å
285A96.9Very high95.1Very high4 Ų463.3 Ų63.33%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-87.9102.1165.700000107.9Y283 A350 L351 Y367 Y369Y283-A285 HydrophobicContact CE1-CB 4.31Å; A285-A350 WeakPolarHBondContact O-CA 3.3Å; A285-L351 HydrophobicContact CB-CB 4.22Å; A285-L351 PolarHBondContact N-O 3.07Å; A285-L351 PolarHBondContact O-N 3Å; A285-Y367 HydrophobicContact CB-CD2 4.46Å; A285-Y367 HydrophobicContact CB-CE2 3.54Å; A285-Y369 HydrophobicContact CB-CD1 4.5Å; A285-Y369 HydrophobicContact CB-CE1 4.17Å
286E96.4Very high95.1Very high117 Ų11761.8 Ų61.855%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-77.9136.5179.1-62.6-168.1161.300111C284C284-E286 PolarHBondContact O-N 2.98Å
287V95.3Very high95Very high11 Ų1158.7 Ų58.77%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-129.2108.7178.5-171.50000108.1L296 Y349 Y369V287-L296 HydrophobicContact CG1-CD1 4.3Å; V287-L296 HydrophobicContact CG2-CD1 4.14Å; V287-L296 HydrophobicContact CG2-CD2 4.44Å; V287-Y349 PolarHBondContact N-O 3.33Å; V287-Y349 PolarHBondContact O-N 2.57Å; V287-Y369 HydrophobicContact CB-CE2 4.45Å; V287-Y369 HydrophobicContact CG1-CE2 4.29Å; V287-Y369 HydrophobicContact CG2-CD2 3.68Å; V287-Y369 HydrophobicContact CG2-CE2 3.44Å; V287-Y369 VanDerWaalsContact CG2-CE2 3.44Å; V287-Y369 HydrophobicContact CG2-CG 4.4Å
288T95.2Very high95Very high90 Ų9058.8 Ų58.855%0.55232%0.317SS*.EExtended strand (participates in β ladder)trans-81.9119.4174.9-560000109.5T290T288-T290 HydrophobicContact CG2-CG2 4.22Å
289V94.2Very high95.1Very high2 Ų256.2 Ų56.21%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-100.8113.9175.6176.60000108.4K291 C343 T346 G347 Y349 L371V289-K291 WeakPolarHBondContact CG1-O 3.32Å; V289-C343 HydrophobicContact CG1-CB 4.11Å; V289-C343 HydrophobicContact CG2-CB 4.05Å; V289-T346 VanDerWaalsContact O-CA 3.32Å; V289-T346 WeakPolarHBondContact O-CA 3.32Å; V289-G347 PolarHBondContact N-O 2.92Å; V289-G347 PolarHBondContact O-N 3.26Å; V289-Y349 HydrophobicContact CB-CD2 3.9Å; V289-Y349 HydrophobicContact CB-CE2 3.77Å; V289-Y349 HydrophobicContact CG1-CE2 4.39Å; V289-Y349 HydrophobicContact CG2-CD2 3.41Å; V289-Y349 VanDerWaalsContact CG2-CD2 3.41Å; V289-Y349 HydrophobicContact CG2-CE2 3.65Å; V289-Y349 HydrophobicContact CG2-CG 4.27Å; V289-L371 HydrophobicContact CG2-CD1 4Å; V289-L371 HydrophobicContact CG2-CD2 4.14Å
290T91.3Very high95.2Very high126 Ų12654.8 Ų54.877%0.77329%0.291SS*.  trans-95.9-9.4-177.457.30000113.6T288T288-T290 HydrophobicContact CG2-CG2 4.22Å
291K88.6Confident95.3Very high118 Ų11850.8 Ų50.851%0.51327%0.268SS..SBendtrans-143.2127.6178.9-178.8-178.4167.2-165.30108.6V289 C294 E373V289-K291 WeakPolarHBondContact CG1-O 3.32Å; K291-C294 PolarHBondContact O-SG 3.4Å; K291-C294 VanDerWaalsContact O-SG 3.38Å; K291-E373 IonicContact NZ-OE1 3.69Å; K291-E373 PolarHBondContact NZ-OE1 2.66Å; K291-E373 IonicContact NZ-OE2 3.7Å
292G89.4Confident95.4Very high32 Ų3245 Ų4533%0.3324%0.244SC..SBendtrans-66163176.200000113.2C343 D344G292-C343 CarbonylContact C-O 3.6Å; G292-D344 WeakPolarHBondContact CA-O 3.32Å
293G90.8Very high95.3Very high31 Ų3141.9 Ų41.932%0.3224%0.239SC..SBendtrans80.518.8-179.500000114C343 S374G293-C343 PolarHBondContact N-O 2.99Å; G293-S374 VanDerWaalsContact O-CB 3.27Å; G293-S374 WeakPolarHBondContact O-CB 3.48Å; G293-S374 PolarHBondContact O-N 2.87Å; G293-S374 PolarHBondContact O-OG 2.97Å
294C94.1Very high95.1Very high8 Ų840.8 Ų40.85%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-86.4160.5170.1-670000110.9K291 C343 L371 S372K291-C294 PolarHBondContact O-SG 3.4Å; K291-C294 VanDerWaalsContact O-SG 3.38Å; C294-C343 HydrophobicContact CB-CB 4.42Å; C294-C343 PolarHBondContact N-O 3.45Å; C294-C343 PolarHBondContact O-N 3.09Å; C294-L371 HydrophobicContact CB-CD1 3.6Å; C294-L371 HydrophobicContact CB-CD2 4.33Å; C294-L371 HydrophobicContact CB-CG 3.85Å; C294-S372 CarbonylContact C-O 3.53Å; C294-S372 WeakPolarHBondContact CA-O 3.46Å
295T95.9Very high95Very high27 Ų2739.7 Ų39.717%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-111.8121.4168.3-52.70000109K297 A340 I341 L371 S372T295-K297 HydrophobicContact CG2-CG 3.91Å; T295-A340 HydrophobicContact CG2-CB 4.01Å; T295-I341 CarbonylContact C-O 3.57Å; T295-I341 WeakPolarHBondContact CA-O 3.46Å; T295-L371 WeakPolarHBondContact O-CA 3.19Å; T295-S372 PolarHBondContact N-O 2.86Å; T295-S372 PolarHBondContact O-N 3.32Å
296L96.5Very high95.1Very high0 Ų039.5 Ų39.50%024%0.235CC..EExtended strand (participates in β ladder)trans-88.6116.5169.317359.6000108.6V287 W298 V310 A340 I341 C343 L351 Y369 L371V287-L296 HydrophobicContact CG1-CD1 4.3Å; V287-L296 HydrophobicContact CG2-CD1 4.14Å; V287-L296 HydrophobicContact CG2-CD2 4.44Å; L296-W298 HydrophobicContact CG-CE3 4.41Å; L296-V310 HydrophobicContact CD2-CG1 4.48Å; L296-A340 CarbonylContact O-C 3.59Å; L296-A340 VanDerWaalsContact O-CA 3.23Å; L296-A340 WeakPolarHBondContact O-CA 3.26Å; L296-I341 HydrophobicContact CB-CG2 4.18Å; L296-I341 PolarHBondContact N-O 3.13Å; L296-I341 PolarHBondContact O-N 2.84Å; L296-C343 VanDerWaalsContact CB-SG 3.59Å; L296-L351 HydrophobicContact CD2-CD2 4.09Å; L296-Y369 HydrophobicContact CD1-CD2 4.1Å; L296-L371 HydrophobicContact CB-CD1 4.19Å
297K96.9Very high95.1Very high90 Ų9034.1 Ų34.139%0.39121%0.21SC..EExtended strand (participates in β ladder)trans-109.8146.3174.9-54.1-172.7178.5-179.80110.1F269 T295 G339 A340 Y369 S370F269-K297 HydrophobicContact CE1-CB 4.29Å; F269-K297 HydrophobicContact CZ-CB 3.86Å; T295-K297 HydrophobicContact CG2-CG 3.91Å; K297-G339 WeakPolarHBondContact CA-O 3.35Å; K297-A340 HydrophobicContact CB-CB 4.48Å; K297-A340 HydrophobicContact CG-CB 3.89Å; K297-Y369 CarbonylContact O-C 3.57Å; K297-Y369 WeakPolarHBondContact O-CA 3.27Å; K297-Y369 VanDerWaalsContact O-CB 3.31Å; K297-Y369 WeakPolarHBondContact O-CB 3.4Å; K297-S370 PolarHBondContact N-O 2.79Å; K297-S370 PolarHBondContact O-N 3.03Å
298W97.3Very high95.3Very high5 Ų533.6 Ų33.62%0.01921%0.207CC..EExtended strand (participates in β ladder)trans-137.8155.3175.462.683.8000111.8L296 F308 V310 L322 E338 G339 I341 L351 A368L296-W298 HydrophobicContact CG-CE3 4.41Å; W298-F308 AromaticContact CD1-CE1 3.97Å; W298-F308 AromaticContact CD1-CZ 3.86Å; W298-F308 HydrophobicContact CD2-CZ 4.23Å; W298-F308 AromaticContact CE2-CE1 3.88Å; W298-F308 AromaticContact CE2-CZ 3.88Å; W298-F308 HydrophobicContact CG-CZ 4.22Å; W298-F308 HydrophobicContact CZ2-CE1 4.34Å; W298-F308 HydrophobicContact CZ2-CZ 4.49Å; W298-F308 AromaticContact NE1-CE1 3.41Å; W298-F308 AromaticContact NE1-CZ 3.64Å; W298-V310 HydrophobicContact CE3-CG2 4.21Å; W298-V310 HydrophobicContact CH2-CG2 3.79Å; W298-V310 HydrophobicContact CZ2-CG2 4.14Å; W298-V310 HydrophobicContact CZ3-CG2 3.83Å; W298-L322 HydrophobicContact CH2-CD2 3.83Å; W298-L322 HydrophobicContact CZ2-CD2 3.44Å; W298-L322 VanDerWaalsContact CZ2-CD2 3.44Å; W298-E338 WeakPolarHBondContact O-CA 3.29Å; W298-G339 VanDerWaalsContact CE2-CA 3.47Å; W298-G339 VanDerWaalsContact CZ2-CA 3.48Å; W298-G339 PolarHBondContact N-O 2.79Å; W298-G339 PolarHBondContact O-N 3.43Å; W298-G339 VanDerWaalsContact O-N 3.15Å; W298-I341 HydrophobicContact CH2-CB 4.37Å; W298-I341 HydrophobicContact CZ3-CB 4.18Å; W298-I341 HydrophobicContact CZ3-CG2 4.05Å; W298-L351 HydrophobicContact CB-CD1 3.77Å; W298-L351 HydrophobicContact CB-CD2 4.34Å; W298-L351 HydrophobicContact CD2-CD2 4.14Å; W298-L351 HydrophobicContact CE3-CD2 3.92Å; W298-L351 HydrophobicContact CG-CD1 4.49Å; W298-L351 HydrophobicContact CG-CD2 4.33Å; W298-A368 WeakPolarHBondContact CA-O 3.36Å
299Q97.8Very high95.4Very high6 Ų629.3 Ų29.33%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-138.2136.7166.7-179.7-17479.300108.2S267 F269 P336 E337 E338 Y367 A368S267-Q299 PolarHBondContact O-NE2 2.85Å; F269-Q299 HydrophobicContact CD1-CB 4.47Å; F269-Q299 HydrophobicContact CD2-CB 3.49Å; F269-Q299 VanDerWaalsContact CD2-CB 3.49Å; F269-Q299 HydrophobicContact CD2-CG 4.28Å; F269-Q299 HydrophobicContact CE2-CB 3.65Å; F269-Q299 HydrophobicContact CG-CB 3.92Å; F269-Q299 HydrophobicContact CZ-CB 4.21Å; Q299-P336 HydrophobicContact CG-CB 3.72Å; Q299-P336 HydrophobicContact CG-CG 3.64Å; Q299-E337 CarbonylContact C-O 3.52Å; Q299-E337 VanDerWaalsContact CA-O 3.27Å; Q299-E337 WeakPolarHBondContact CA-O 3.33Å; Q299-E338 HydrophobicContact CB-CG 3.86Å; Q299-E338 HydrophobicContact CG-CG 3.71Å; Q299-E338 PolarHBondContact NE2-OE1 3.46Å; Q299-Y367 CarbonylContact O-C 3.52Å; Q299-Y367 VanDerWaalsContact O-CA 3.29Å; Q299-Y367 WeakPolarHBondContact O-CA 3.29Å; Q299-A368 PolarHBondContact N-O 3.25Å; Q299-A368 PolarHBondContact O-N 3.1Å
300F98.1Very high95.6Very high1 Ų129.2 Ų29.20%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-151.7161.3170.273.3-90.8000113.6V302 V306 F308 I327 P336 E337 F353 L365 D366F300-V302 HydrophobicContact CD2-CG1 3.93Å; F300-V302 HydrophobicContact CE2-CG1 4.09Å; F300-V306 HydrophobicContact CE2-CG1 3.97Å; F300-V306 HydrophobicContact CZ-CG1 4.48Å; F300-F308 HydrophobicContact CD1-CD1 4.44Å; F300-F308 HydrophobicContact CD1-CE1 4.35Å; F300-F308 HydrophobicContact CD1-CZ 4.5Å; F300-F308 HydrophobicContact CE1-CB 4.48Å; F300-F308 AromaticContact CE1-CD1 3.26Å; F300-F308 HydrophobicContact CE1-CD1 3.26Å; F300-F308 HydrophobicContact CE1-CD2 4.13Å; F300-F308 AromaticContact CE1-CE1 3.44Å; F300-F308 HydrophobicContact CE1-CE1 3.44Å; F300-F308 VanDerWaalsContact CE1-CE1 3.44Å; F300-F308 HydrophobicContact CE1-CE2 4.25Å; F300-F308 AromaticContact CE1-CG 3.69Å; F300-F308 HydrophobicContact CE1-CG 3.69Å; F300-F308 AromaticContact CE1-CZ 3.94Å; F300-F308 HydrophobicContact CE1-CZ 3.94Å; F300-F308 HydrophobicContact CZ-CB 3.98Å; F300-F308 AromaticContact CZ-CD1 3.5Å; F300-F308 HydrophobicContact CZ-CD1 3.5Å; F300-F308 HydrophobicContact CZ-CD2 4.4Å; F300-F308 HydrophobicContact CZ-CE1 4.17Å; F300-F308 AromaticContact CZ-CG 3.69Å; F300-F308 HydrophobicContact CZ-CG 3.69Å; F300-I327 HydrophobicContact CZ-CG2 4.34Å; F300-P336 WeakPolarHBondContact O-CA 3.33Å; F300-P336 VanDerWaalsContact O-CB 3.27Å; F300-P336 WeakPolarHBondContact O-CB 3.31Å; F300-E337 HydrophobicContact CD1-CB 4.03Å; F300-E337 HydrophobicContact CD1-CG 3.91Å; F300-E337 HydrophobicContact CD2-CB 4.35Å; F300-E337 HydrophobicContact CE1-CB 3.64Å; F300-E337 HydrophobicContact CE1-CG 3.17Å; F300-E337 HydrophobicContact CE2-CB 4Å; F300-E337 HydrophobicContact CE2-CG 4.27Å; F300-E337 HydrophobicContact CG-CB 4.37Å; F300-E337 HydrophobicContact CZ-CB 3.64Å; F300-E337 HydrophobicContact CZ-CG 3.41Å; F300-E337 VanDerWaalsContact CZ-CG 3.41Å; F300-E337 PolarHBondContact N-O 3.08Å; F300-E337 PolarHBondContact O-N 3.23Å; F300-F353 HydrophobicContact CB-CE1 4.43Å; F300-F353 AromaticContact CD1-CE1 3.74Å; F300-F353 HydrophobicContact CD1-CE1 3.74Å; F300-F353 HydrophobicContact CD1-CZ 4.11Å; F300-F353 AromaticContact CD2-CE1 3.99Å; F300-F353 HydrophobicContact CD2-CE1 3.99Å; F300-F353 AromaticContact CE1-CE1 3.89Å; F300-F353 HydrophobicContact CE1-CE1 3.89Å; F300-F353 HydrophobicContact CE2-CE1 4.13Å; F300-F353 AromaticContact CG-CE1 3.79Å; F300-F353 HydrophobicContact CG-CE1 3.79Å; F300-F353 HydrophobicContact CG-CZ 4.3Å; F300-F353 HydrophobicContact CZ-CE1 4.07Å; F300-L365 HydrophobicContact CB-CD1 3.86Å; F300-L365 HydrophobicContact CD2-CD1 3.83Å; F300-L365 HydrophobicContact CG-CD1 4.08Å; F300-D366 CarbonylContact C-O 3.56Å; F300-D366 WeakPolarHBondContact CA-O 2.86Å; F300-D366 VanDerWaalsContact CB-O 3.32Å; F300-D366 WeakPolarHBondContact CB-O 3.43Å
301F97.8Very high95.9Very high11 Ų1124.1 Ų24.15%0.04815%0.149CC..EExtended strand (participates in β ladder)trans-140.9153.4165.159.8-86.1000110.7K272 T329 E333 P336 D366K272-F301 HydrophobicContact CD-CE1 4.48Å; F301-T329 WeakPolarHBondContact CA-OG1 3.43Å; F301-T329 HydrophobicContact CB-CG2 4.2Å; F301-T329 WeakPolarHBondContact CB-OG1 3.41Å; F301-E333 HydrophobicContact CD1-CB 4.11Å; F301-E333 HydrophobicContact CE1-CB 3.78Å; F301-E333 HydrophobicContact CE1-CG 3.98Å; F301-E333 HydrophobicContact CE2-CB 4.3Å; F301-E333 HydrophobicContact CZ-CB 3.87Å; F301-E333 HydrophobicContact CZ-CG 4.33Å; F301-P336 HydrophobicContact CB-CB 4.33Å; F301-P336 HydrophobicContact CD1-CB 4.43Å; F301-D366 HydrophobicContact CD1-CB 3.99Å; F301-D366 HydrophobicContact CD2-CB 3.96Å; F301-D366 HydrophobicContact CE1-CB 3.51Å; F301-D366 HydrophobicContact CE2-CB 3.49Å; F301-D366 VanDerWaalsContact CE2-CB 3.49Å; F301-D366 VanDerWaalsContact CE2-CG 3.49Å; F301-D366 VanDerWaalsContact CE2-OD2 3.29Å; F301-D366 WeakPolarHBondContact CE2-OD2 3.16Å; F301-D366 HydrophobicContact CG-CB 4.2Å; F301-D366 HydrophobicContact CZ-CB 3.25Å; F301-D366 PolarHBondContact N-O 2.77Å; F301-D366 PolarHBondContact O-N 3.04Å
302V97.7Very high96.3Very high8 Ų818.9 Ų18.95%0.04813%0.126CC..EExtended strand (participates in β ladder)trans-130.6150.4-171-70.40000112.1F300 S304 V306 T329 L363 R364 L365F300-V302 HydrophobicContact CD2-CG1 3.93Å; F300-V302 HydrophobicContact CE2-CG1 4.09Å; V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 VanDerWaalsContact CB-O 3.31Å; V302-S304 WeakPolarHBondContact CB-O 3.37Å; V302-S304 WeakPolarHBondContact CG2-O 3.41Å; V302-V306 HydrophobicContact CG1-CB 4.21Å; V302-V306 HydrophobicContact CG1-CG1 3.82Å; V302-V306 HydrophobicContact CG2-CG1 4.18Å; V302-T329 HydrophobicContact CG2-CG2 4.37Å; V302-T329 PolarHBondContact N-OG1 2.9Å; V302-T329 PolarHBondContact O-OG1 2.78Å; V302-L363 HydrophobicContact CB-CD1 4.31Å; V302-L363 HydrophobicContact CB-CD2 4.29Å; V302-L363 HydrophobicContact CB-CG 4.43Å; V302-L363 HydrophobicContact CG1-CD1 4.41Å; V302-L363 HydrophobicContact CG1-CD2 3.88Å; V302-R364 VanDerWaalsContact CA-O 3.26Å; V302-R364 WeakPolarHBondContact CA-O 3.31Å; V302-L365 HydrophobicContact CG1-CD1 3.67Å
303S95.6Very high96.5Very high70 Ų7023 Ų2349%0.4914%0.135SC..SBendtrans-75.4-19.1175610000114.1R364S303-R364 PolarHBondContact N-O 3.16Å; S303-R364 PolarHBondContact OG-N 3.3Å
304S94.1Very high96.5Very high47 Ų4725.7 Ų25.733%0.32914%0.142SC..SBendtrans-154.3173.5-179.558.30000109.7V302 L363V302-S304 VanDerWaalsContact C-N 3.31Å; V302-S304 VanDerWaalsContact CB-O 3.31Å; V302-S304 WeakPolarHBondContact CB-O 3.37Å; V302-S304 WeakPolarHBondContact CG2-O 3.41Å; S304-L363 VanDerWaalsContact O-CD1 3.27Å; S304-L363 WeakPolarHBondContact O-CD1 3.14Å; S304-L363 WeakPolarHBondContact OG-CD1 3.18Å
305A95.7Very high96.3Very high30 Ų3027.8 Ų27.825%0.24817%0.165CC..  trans-59.8138.5-179.700000112.9V326 I327 C328 V356 L363A305-V326 HydrophobicContact CB-CG1 3.78Å; A305-I327 CarbonylContact C-O 3.52Å; A305-I327 VanDerWaalsContact CA-O 3.24Å; A305-I327 WeakPolarHBondContact CA-O 3.48Å; A305-C328 HydrophobicContact CB-CB 4.34Å; A305-V356 HydrophobicContact CB-CG2 4.4Å; A305-L363 VanDerWaalsContact O-CD1 3.31Å; A305-L363 WeakPolarHBondContact O-CD1 3.02Å
306V97.8Very high95.9Very high0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-130.8139.5179.9690000109.4F300 V302 F308 V326 I327 F353 W354 L363F300-V306 HydrophobicContact CE2-CG1 3.97Å; F300-V306 HydrophobicContact CZ-CG1 4.48Å; V302-V306 HydrophobicContact CG1-CB 4.21Å; V302-V306 HydrophobicContact CG1-CG1 3.82Å; V302-V306 HydrophobicContact CG2-CG1 4.18Å; V306-F308 HydrophobicContact CG1-CB 4.3Å; V306-F308 PolarHBondContact O-N 3.02Å; V306-V326 CarbonylContact O-C 3.56Å; V306-V326 WeakPolarHBondContact O-CA 3.38Å; V306-I327 PolarHBondContact N-O 3.46Å; V306-I327 PolarHBondContact O-N 3.03Å; V306-F353 HydrophobicContact CG2-CB 3.95Å; V306-F353 HydrophobicContact CG2-CD1 4.21Å; V306-W354 WeakPolarHBondContact CG2-O 3.32Å; V306-L363 HydrophobicContact CB-CD1 3.69Å; V306-L363 HydrophobicContact CG2-CD1 4.12Å
307S97.7Very high95.5Very high4 Ų439.9 Ų39.93%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-77.8120.9164.3150.20000108.3R324 L325 F353 W354S307-R324 WeakPolarHBondContact OG-CG 3.47Å; S307-L325 WeakPolarHBondContact CA-O 3.44Å; S307-F353 CarbonylContact O-C 3.48Å; S307-F353 WeakPolarHBondContact O-CA 3.13Å; S307-W354 PolarHBondContact N-O 2.89Å; S307-W354 PolarHBondContact O-N 2.9Å
308F98.5Very high95.2Very high0 Ų040 Ų400%023%0.232CC..EExtended strand (participates in β ladder)trans-127.7139-178.1173.7-116.5000112.7R109 W298 F300 V306 V310 L322 L325 I327 L351 E352 F353R109-F308 PolarHBondContact NH1-O 3.34Å; R109-F308 PolarHBondContact NH2-O 2.72Å; W298-F308 AromaticContact CD1-CE1 3.97Å; W298-F308 AromaticContact CD1-CZ 3.86Å; W298-F308 HydrophobicContact CD2-CZ 4.23Å; W298-F308 AromaticContact CE2-CE1 3.88Å; W298-F308 AromaticContact CE2-CZ 3.88Å; W298-F308 HydrophobicContact CG-CZ 4.22Å; W298-F308 HydrophobicContact CZ2-CE1 4.34Å; W298-F308 HydrophobicContact CZ2-CZ 4.49Å; W298-F308 AromaticContact NE1-CE1 3.41Å; W298-F308 AromaticContact NE1-CZ 3.64Å; F300-F308 HydrophobicContact CD1-CD1 4.44Å; F300-F308 HydrophobicContact CD1-CE1 4.35Å; F300-F308 HydrophobicContact CD1-CZ 4.5Å; F300-F308 HydrophobicContact CE1-CB 4.48Å; F300-F308 AromaticContact CE1-CD1 3.26Å; F300-F308 HydrophobicContact CE1-CD1 3.26Å; F300-F308 HydrophobicContact CE1-CD2 4.13Å; F300-F308 AromaticContact CE1-CE1 3.44Å; F300-F308 HydrophobicContact CE1-CE1 3.44Å; F300-F308 VanDerWaalsContact CE1-CE1 3.44Å; F300-F308 HydrophobicContact CE1-CE2 4.25Å; F300-F308 AromaticContact CE1-CG 3.69Å; F300-F308 HydrophobicContact CE1-CG 3.69Å; F300-F308 AromaticContact CE1-CZ 3.94Å; F300-F308 HydrophobicContact CE1-CZ 3.94Å; F300-F308 HydrophobicContact CZ-CB 3.98Å; F300-F308 AromaticContact CZ-CD1 3.5Å; F300-F308 HydrophobicContact CZ-CD1 3.5Å; F300-F308 HydrophobicContact CZ-CD2 4.4Å; F300-F308 HydrophobicContact CZ-CE1 4.17Å; F300-F308 AromaticContact CZ-CG 3.69Å; F300-F308 HydrophobicContact CZ-CG 3.69Å; V306-F308 HydrophobicContact CG1-CB 4.3Å; V306-F308 PolarHBondContact O-N 3.02Å; F308-V310 HydrophobicContact CZ-CG2 4.03Å; F308-L322 HydrophobicContact CE1-CD2 4.17Å; F308-L325 PolarHBondContact N-O 2.79Å; F308-L325 PolarHBondContact O-N 3.26Å; F308-I327 HydrophobicContact CB-CD1 4.35Å; F308-I327 HydrophobicContact CD1-CD1 4.14Å; F308-L351 HydrophobicContact CE2-CB 4.05Å; F308-L351 HydrophobicContact CE2-CD2 4.43Å; F308-L351 HydrophobicContact CZ-CD2 4.31Å; F308-E352 WeakPolarHBondContact CA-O 3.34Å; F308-E352 WeakPolarHBondContact CD2-O 3.45Å; F308-F353 HydrophobicContact CB-CD1 4.35Å; F308-F353 AromaticContact CD2-CD1 3.59Å; F308-F353 HydrophobicContact CD2-CD1 3.59Å; F308-F353 AromaticContact CD2-CE1 3.29Å; F308-F353 HydrophobicContact CD2-CE1 3.29Å; F308-F353 HydrophobicContact CD2-CE2 4.29Å; F308-F353 HydrophobicContact CD2-CG 4.21Å; F308-F353 AromaticContact CD2-CZ 3.68Å; F308-F353 HydrophobicContact CD2-CZ 3.68Å; F308-F353 HydrophobicContact CE2-CD1 4.33Å; F308-F353 AromaticContact CE2-CE1 3.67Å; F308-F353 HydrophobicContact CE2-CE1 3.67Å; F308-F353 HydrophobicContact CE2-CE2 4.15Å; F308-F353 AromaticContact CE2-CZ 3.56Å; F308-F353 HydrophobicContact CE2-CZ 3.56Å; F308-F353 HydrophobicContact CG-CD1 4.23Å; F308-F353 AromaticContact CG-CE1 3.97Å; F308-F353 HydrophobicContact CG-CE1 3.97Å; F308-F353 HydrophobicContact CZ-CZ 4.48Å
309T98.4Very high95Very high0 Ų043.8 Ų43.80%025%0.248CC..EExtended strand (participates in β ladder)trans-151.7172.1178.3-176.30000110.5T311 L320 L322 R324 E352T309-T311 HydrophobicContact CG2-CG2 4.09Å; T309-L320 HydrophobicContact CG2-CD1 4.34Å; T309-L320 WeakPolarHBondContact OG1-CD1 3.43Å; T309-L322 PolarHBondContact OG1-O 2.77Å; T309-R324 VanDerWaalsContact CG2-CZ 3.48Å; T309-E352 HydrophobicContact CG2-CB 3.66Å; T309-E352 HydrophobicContact CG2-CG 3.94Å; T309-E352 VanDerWaalsContact CG2-OE2 3.3Å; T309-E352 WeakPolarHBondContact CG2-OE2 3.48Å; T309-E352 PolarHBondContact N-O 2.91Å; T309-E352 PolarHBondContact O-N 3.47Å; T309-E352 VanDerWaalsContact O-N 3.07Å
310V98.3Very high94.9Very high0 Ų045.3 Ų45.30%026%0.257CS..EExtended strand (participates in β ladder)trans-122128.9164.3-175.50000108.5L296 W298 F308 L321 L322 I341 A350 L351L296-V310 HydrophobicContact CD2-CG1 4.48Å; W298-V310 HydrophobicContact CE3-CG2 4.21Å; W298-V310 HydrophobicContact CH2-CG2 3.79Å; W298-V310 HydrophobicContact CZ2-CG2 4.14Å; W298-V310 HydrophobicContact CZ3-CG2 3.83Å; F308-V310 HydrophobicContact CZ-CG2 4.03Å; V310-L321 HydrophobicContact CG1-CD1 4.43Å; V310-L321 PolarHBondContact O-N 3.47Å; V310-L322 HydrophobicContact CB-CB 3.91Å; V310-L322 HydrophobicContact CB-CD2 4.49Å; V310-L322 HydrophobicContact CG2-CB 4.16Å; V310-L322 HydrophobicContact CG2-CD2 3.81Å; V310-L322 PolarHBondContact O-N 3.44Å; V310-I341 HydrophobicContact CG1-CG2 4.37Å; V310-A350 WeakPolarHBondContact CA-O 3.38Å; V310-L351 HydrophobicContact CG1-CD2 4.39Å; V310-L351 HydrophobicContact CG2-CD2 3.66Å
311T97.4Very high94.8Very high19 Ų1947.5 Ų47.512%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-118.4154.7177.354.30000110.7T309 K319 L320 Y349 A350 E352T309-T311 HydrophobicContact CG2-CG2 4.09Å; T311-K319 WeakPolarHBondContact CA-O 3.41Å; T311-L320 HydrophobicContact CG2-CD1 3.86Å; T311-Y349 CarbonylContact O-C 3.55Å; T311-Y349 VanDerWaalsContact O-CA 3.29Å; T311-Y349 WeakPolarHBondContact O-CA 3.4Å; T311-A350 PolarHBondContact N-O 2.87Å; T311-A350 PolarHBondContact O-N 2.94Å; T311-E352 HydrophobicContact CG2-CG 4.31Å; T311-E352 VanDerWaalsContact CG2-OE1 3.31Å; T311-E352 WeakPolarHBondContact CG2-OE1 3.32Å; T311-E352 VanDerWaalsContact OG1-CD 3.3Å; T311-E352 PolarHBondContact OG1-OE1 3.19Å
312Y96.6Very high94.8Very high8 Ų847.9 Ų47.93%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-119141168.7164.4-96.8000109.3D314 S318 K319 D345 T346 K348 Y349Y312-D314 HydrophobicContact CE1-CB 4.04Å; Y312-D314 HydrophobicContact CE2-CB 4.39Å; Y312-D314 WeakPolarHBondContact OH-CB 3.37Å; Y312-S318 CarbonylContact O-C 3.51Å; Y312-S318 VanDerWaalsContact O-CA 3.29Å; Y312-S318 WeakPolarHBondContact O-CA 3.39Å; Y312-K319 HydrophobicContact CD1-CB 4.31Å; Y312-K319 HydrophobicContact CD1-CD 4.09Å; Y312-K319 HydrophobicContact CD1-CG 4.41Å; Y312-K319 PolarHBondContact N-O 2.84Å; Y312-K319 PolarHBondContact O-N 3.29Å; Y312-D345 HydrophobicContact CE2-CB 3.94Å; Y312-D345 WeakPolarHBondContact OH-CB 3.34Å; Y312-T346 PolarHBondContact OH-O 2.81Å; Y312-T346 VanDerWaalsContact OH-O 3.12Å; Y312-K348 CarbonylContact C-O 3.38Å; Y312-K348 WeakPolarHBondContact CA-O 3.32Å; Y312-Y349 HydrophobicContact CD2-CD1 4.37Å; Y312-Y349 HydrophobicContact CD2-CD2 4.04Å; Y312-Y349 AromaticContact CD2-CE1 3.98Å; Y312-Y349 HydrophobicContact CD2-CE1 3.98Å; Y312-Y349 AromaticContact CD2-CE2 3.58Å; Y312-Y349 HydrophobicContact CD2-CE2 3.58Å; Y312-Y349 HydrophobicContact CD2-CG 4.4Å; Y312-Y349 AromaticContact CD2-CZ 3.54Å; Y312-Y349 AromaticContact CE2-CE2 3.94Å; Y312-Y349 HydrophobicContact CE2-CE2 3.94Å
313K94.4Very high94.8Very high118 Ų11847.6 Ų47.651%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-139.5130.5174.7-172.9175-179.41740110.9G315 E317 K348K313-G315 WeakPolarHBondContact CE-O 3.34Å; K313-E317 VanDerWaalsContact CA-O 3.31Å; K313-E317 WeakPolarHBondContact CA-O 3.19Å; K313-K348 PolarHBondContact N-O 2.91Å; K313-K348 PolarHBondContact O-N 3.04Å
314D91.1Very high94.9Very high87 Ų8747.1 Ų47.147%0.46526%0.256SS..EExtended strand (participates in β ladder)trans-138.8114.7167.6-17525.4000110Y312 E316 E317Y312-D314 HydrophobicContact CE1-CB 4.04Å; Y312-D314 HydrophobicContact CE2-CB 4.39Å; Y312-D314 WeakPolarHBondContact OH-CB 3.37Å; D314-E316 PolarHBondContact O-N 2.83Å; D314-E317 PolarHBondContact N-O 3.5Å; D314-E317 WeakPolarHBondContact O-CB 3.25Å; D314-E317 PolarHBondContact O-N 3.27Å
315G88.1Confident95Very high53 Ų5345.1 Ų45.155%0.54624%0.242SC..THydrogen-bonded Turntrans55.2-119-168.800000112.8K313K313-G315 WeakPolarHBondContact CE-O 3.34Å
316E87.8Confident95.1Very high186 Ų18646.3 Ų46.387%0.86925%0.246SC*.THydrogen-bonded Turntrans-87.7-15.4176.6-64.6-57.7142.300113.1D314D314-E316 PolarHBondContact O-N 2.83Å
317E87.7Confident95.1Very high95 Ų9546.3 Ų46.344%0.44425%0.246SC..EExtended strand (participates in β ladder)trans-74.3130.4178.3-169.7176.6-178.500109.7K313 D314 K319K313-E317 VanDerWaalsContact CA-O 3.31Å; K313-E317 WeakPolarHBondContact CA-O 3.19Å; D314-E317 PolarHBondContact N-O 3.5Å; D314-E317 WeakPolarHBondContact O-CB 3.25Å; D314-E317 PolarHBondContact O-N 3.27Å; E317-K319 WeakPolarHBondContact OE1-CE 3.33Å; E317-K319 IonicContact OE1-NZ 2.8Å; E317-K319 PolarHBondContact OE1-NZ 3.33Å
318S91.5Very high95Very high92 Ų9246.4 Ų46.464%0.64325%0.247SC*.EExtended strand (participates in β ladder)trans-135.9137.8172.666.80000110.5Y312Y312-S318 CarbonylContact O-C 3.51Å; Y312-S318 VanDerWaalsContact O-CA 3.29Å; Y312-S318 WeakPolarHBondContact O-CA 3.39Å
319K93.1Very high95Very high84 Ų8446.7 Ų46.737%0.36525%0.248SC..EExtended strand (participates in β ladder)trans-131133.9-178.5-70.5172.9172.61490109.8T311 Y312 E317 L321T311-K319 WeakPolarHBondContact CA-O 3.41Å; Y312-K319 HydrophobicContact CD1-CB 4.31Å; Y312-K319 HydrophobicContact CD1-CD 4.09Å; Y312-K319 HydrophobicContact CD1-CG 4.41Å; Y312-K319 PolarHBondContact N-O 2.84Å; Y312-K319 PolarHBondContact O-N 3.29Å; E317-K319 WeakPolarHBondContact OE1-CE 3.33Å; E317-K319 IonicContact OE1-NZ 2.8Å; E317-K319 PolarHBondContact OE1-NZ 3.33Å; K319-L321 HydrophobicContact CB-CD2 4.04Å; K319-L321 PolarHBondContact O-N 2.8Å
320L96.1Very high94.8Very high38 Ų3848.4 Ų48.420%0.19926%0.259CS..EExtended strand (participates in β ladder)trans-83105.9166.8-169.471.4000107.8E43 N44 A47 T309 T311E43-L320 HydrophobicContact CB-CD2 4.06Å; N44-L320 WeakPolarHBondContact OD1-CD2 3.22Å; A47-L320 HydrophobicContact CB-CB 4.26Å; A47-L320 HydrophobicContact CB-CD2 3.83Å; A47-L320 HydrophobicContact CB-CG 3.91Å; A47-L320 WeakPolarHBondContact CB-O 3.45Å; T309-L320 HydrophobicContact CG2-CD1 4.34Å; T309-L320 WeakPolarHBondContact OG1-CD1 3.43Å; T311-L320 HydrophobicContact CG2-CD1 3.86Å
321L96.4Very high94.6Very high47 Ų4750.5 Ų50.525%0.24627%0.269CS..EExtended strand (participates in β ladder)trans-88.9-23.2-175.5-60.4-178.6000113.1V310 K319 I341 Y349V310-L321 HydrophobicContact CG1-CD1 4.43Å; V310-L321 PolarHBondContact O-N 3.47Å; K319-L321 HydrophobicContact CB-CD2 4.04Å; K319-L321 PolarHBondContact O-N 2.8Å; L321-I341 HydrophobicContact CB-CD1 3.52Å; L321-I341 HydrophobicContact CD1-CD1 4.23Å; L321-I341 HydrophobicContact CG-CD1 4.45Å; L321-Y349 HydrophobicContact CD1-CD1 3.57Å; L321-Y349 HydrophobicContact CD1-CE1 3.46Å; L321-Y349 VanDerWaalsContact CD1-CE1 3.46Å
322L97.1Very high94.5Very high19 Ų1950.6 Ų50.610%0.09927%0.274CS..EExtended strand (participates in β ladder)trans-136.5134.6178.3-173.370.1000109.3W298 F308 T309 V310 R324W298-L322 HydrophobicContact CH2-CD2 3.83Å; W298-L322 HydrophobicContact CZ2-CD2 3.44Å; W298-L322 VanDerWaalsContact CZ2-CD2 3.44Å; F308-L322 HydrophobicContact CE1-CD2 4.17Å; T309-L322 PolarHBondContact OG1-O 2.77Å; V310-L322 HydrophobicContact CB-CB 3.91Å; V310-L322 HydrophobicContact CB-CD2 4.49Å; V310-L322 HydrophobicContact CG2-CB 4.16Å; V310-L322 HydrophobicContact CG2-CD2 3.81Å; V310-L322 PolarHBondContact O-N 3.44Å; L322-R324 PolarHBondContact O-N 3.29Å
323P97.7Very high94.3Very high2 Ų255.6 Ų55.61%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-53.2135.1-178.8-29.236.3000112.9N44 A47 A48 R109 M113 L325N44-P323 HydrophobicContact CB-CB 4.25Å; N44-P323 WeakPolarHBondContact OD1-CA 3.35Å; A47-P323 HydrophobicContact CB-CG 4.02Å; A48-P323 HydrophobicContact CB-CG 3.74Å; R109-P323 PolarHBondContact NH1-O 3.28Å; M113-P323 HydrophobicContact CE-CG 4.15Å; M113-P323 HydrophobicContact SD-CB 4.29Å; M113-P323 HydrophobicContact SD-CG 4.01Å; P323-L325 HydrophobicContact CB-CD2 4.3Å; P323-L325 HydrophobicContact CB-CG 4.11Å; P323-L325 PolarHBondContact O-N 2.95Å; P323-L325 VanDerWaalsContact O-N 3.16Å
324R97.5Very high94.3Very high60 Ų6058.4 Ų58.423%0.22631%0.31CS..EExtended strand (participates in β ladder)trans-76.596.9173.2-175.6-179.9-50.9-67.5-2.2109.2N44 S307 T309 L322 E352N44-R324 PolarHBondContact ND2-O 3.17Å; N44-R324 PolarHBondContact OD1-N 3.36Å; S307-R324 WeakPolarHBondContact OG-CG 3.47Å; T309-R324 VanDerWaalsContact CG2-CZ 3.48Å; L322-R324 PolarHBondContact O-N 3.29Å; R324-E352 IonicContact CZ-OE2 2.92Å; R324-E352 IonicContact NH1-OE2 3.73Å; R324-E352 PolarHBondContact NH1-OE2 2.94Å; R324-E352 IonicContact NH2-OE2 3.04Å; R324-E352 PolarHBondContact NH2-OE2 2.94Å
325L97Very high94.4Very high5 Ų555.1 Ų55.13%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-116.2149.2179.6-57.4-178000110.4L112 M113 L170 S307 F308 P323 I327L112-L325 HydrophobicContact CB-CD1 4.08Å; M113-L325 HydrophobicContact CG-CD1 4.25Å; M113-L325 HydrophobicContact SD-CD1 3.69Å; L170-L325 HydrophobicContact CD1-CD2 3.89Å; L170-L325 HydrophobicContact CD2-CD2 4.18Å; S307-L325 WeakPolarHBondContact CA-O 3.44Å; F308-L325 PolarHBondContact N-O 2.79Å; F308-L325 PolarHBondContact O-N 3.26Å; P323-L325 HydrophobicContact CB-CD2 4.3Å; P323-L325 HydrophobicContact CB-CG 4.11Å; P323-L325 PolarHBondContact O-N 2.95Å; P323-L325 VanDerWaalsContact O-N 3.16Å; L325-I327 HydrophobicContact CB-CG1 4.33Å; L325-I327 PolarHBondContact O-N 2.9Å
326V97.3Very high94.8Very high56 Ų5652.6 Ų52.634%0.33927%0.266SS..EExtended strand (participates in β ladder)trans-79.6117.7168-176.10000108.4L112 L166 A305 V306 V356L112-V326 WeakPolarHBondContact CD1-O 3.17Å; L166-V326 HydrophobicContact CD2-CB 4.11Å; L166-V326 HydrophobicContact CD2-CG1 3.62Å; A305-V326 HydrophobicContact CB-CG1 3.78Å; V306-V326 CarbonylContact O-C 3.56Å; V306-V326 WeakPolarHBondContact O-CA 3.38Å; V326-V356 HydrophobicContact CG1-CG2 3.98Å; V326-V356 HydrophobicContact CG2-CG1 4.17Å
327I97.3Very high95.3Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-119.2143-174.3-67.4177.7000109.5P108 R109 L112 F300 A305 V306 F308 L325P108-I327 HydrophobicContact CB-CG2 3.78Å; R109-I327 HydrophobicContact CB-CD1 4.22Å; R109-I327 VanDerWaalsContact CZ-CD1 3.41Å; L112-I327 HydrophobicContact CD1-CG1 3.9Å; F300-I327 HydrophobicContact CZ-CG2 4.34Å; A305-I327 CarbonylContact C-O 3.52Å; A305-I327 VanDerWaalsContact CA-O 3.24Å; A305-I327 WeakPolarHBondContact CA-O 3.48Å; V306-I327 PolarHBondContact N-O 3.46Å; V306-I327 PolarHBondContact O-N 3.03Å; F308-I327 HydrophobicContact CB-CD1 4.35Å; F308-I327 HydrophobicContact CD1-CD1 4.14Å; L325-I327 HydrophobicContact CB-CG1 4.33Å; L325-I327 PolarHBondContact O-N 2.9Å
328C96.7Very high95.7Very high5 Ų540.5 Ų40.53%0.03421%0.21CC..  trans-126.4154.6163.869.40000109.7P108 L166 A305 P330P108-C328 VanDerWaalsContact CB-O 3.26Å; P108-C328 WeakPolarHBondContact CB-O 3.5Å; P108-C328 WeakPolarHBondContact CG-O 3.29Å; L166-C328 HydrophobicContact CD1-CB 3.94Å; L166-C328 WeakPolarHBondContact CD1-SG 3.32Å; A305-C328 HydrophobicContact CB-CB 4.34Å; C328-P330 WeakPolarHBondContact O-CD 3.4Å
329T97.4Very high95.9Very high6 Ų637.2 Ų37.24%0.03719%0.191CC..  trans-117.975.6175.656.20000108.8P108 F301 V302 H331 G332 E337P108-T329 HydrophobicContact CG-CG2 4.3Å; F301-T329 WeakPolarHBondContact CA-OG1 3.43Å; F301-T329 HydrophobicContact CB-CG2 4.2Å; F301-T329 WeakPolarHBondContact CB-OG1 3.41Å; V302-T329 HydrophobicContact CG2-CG2 4.37Å; V302-T329 PolarHBondContact N-OG1 2.9Å; V302-T329 PolarHBondContact O-OG1 2.78Å; T329-H331 PolarHBondContact O-N 2.81Å; T329-H331 VanDerWaalsContact O-N 3.13Å; T329-G332 PolarHBondContact O-N 2.84Å; T329-E337 HydrophobicContact CG2-CB 4.04Å
330P95.2Very high96.1Very high36 Ų3636.1 Ų36.123%0.23420%0.197CC..THydrogen-bonded Turntrans-66-19.6-168.927.2-36.1000113.7P159 L163 C328P159-P330 HydrophobicContact CB-CB 3.73Å; P159-P330 HydrophobicContact CB-CG 3.67Å; P159-P330 HydrophobicContact CG-CB 4.11Å; L163-P330 HydrophobicContact CD1-CG 4.27Å; L163-P330 HydrophobicContact CG-CG 4.29Å; C328-P330 WeakPolarHBondContact O-CD 3.4Å
331H94.3Very high96.1Very high44 Ų4435.9 Ų35.920%0.20420%0.196CC..THydrogen-bonded Turntrans-92.3-0.1174.8-62.6-76000113.2T103 P159 T329 K334 L335T103-H331 PolarHBondContact OG1-NE2 2.91Å; P159-H331 VanDerWaalsContact CB-CE1 3.43Å; P159-H331 WeakPolarHBondContact CB-CE1 3.34Å; P159-H331 WeakPolarHBondContact CB-NE2 3.42Å; P159-H331 VanDerWaalsContact CG-CE1 3.47Å; P159-H331 WeakPolarHBondContact CG-CE1 3.41Å; T329-H331 PolarHBondContact O-N 2.81Å; T329-H331 VanDerWaalsContact O-N 3.13Å; H331-K334 PolarHBondContact O-N 3.47Å; H331-L335 HydrophobicContact CB-CB 3.78Å; H331-L335 HydrophobicContact CB-CD1 3.98Å; H331-L335 HydrophobicContact CB-CG 4.15Å
332G94.8Very high96Very high21 Ų2137 Ų3722%0.21621%0.207CC..G310 helixtrans58.7-139.2-179.800000112.8T329 K334 L335T329-G332 PolarHBondContact O-N 2.84Å; G332-K334 PolarHBondContact O-N 2.92Å; G332-K334 VanDerWaalsContact O-N 3.13Å; G332-L335 CarbonylContact O-C 3.55Å; G332-L335 PolarHBondContact O-N 3.15Å
333E92.9Very high95.9Very high113 Ų11336.1 Ų36.153%0.52820%0.203SC..G310 helixtrans-61.2-20.6-178.2-176.7167.8-153.200114.3K272 F301 P336K272-E333 IonicContact NZ-OE1 2.7Å; K272-E333 PolarHBondContact NZ-OE1 3.25Å; F301-E333 HydrophobicContact CD1-CB 4.11Å; F301-E333 HydrophobicContact CE1-CB 3.78Å; F301-E333 HydrophobicContact CE1-CG 3.98Å; F301-E333 HydrophobicContact CE2-CB 4.3Å; F301-E333 HydrophobicContact CZ-CB 3.87Å; F301-E333 HydrophobicContact CZ-CG 4.33Å; E333-P336 WeakPolarHBondContact O-CD 3.24Å
334K92.7Very high95.6Very high178 Ų17841.1 Ų41.177%0.77423%0.229SC*.G310 helixtrans-70.6-32.5178.9-66.5-174.7178-176.30112.7P266 H331 G332P266-K334 VanDerWaalsContact CG-O 3.25Å; P266-K334 WeakPolarHBondContact CG-O 2.87Å; H331-K334 PolarHBondContact O-N 3.47Å; G332-K334 PolarHBondContact O-N 2.92Å; G332-K334 VanDerWaalsContact O-N 3.13Å
335L94Very high95.4Very high18 Ų1842 Ų429%0.09424%0.239CC..SBendtrans-140.276.9173.8-61.1168.1000107.5L104 F264 H331 G332L104-L335 HydrophobicContact CB-CD1 4.41Å; L104-L335 HydrophobicContact CD2-CD1 3.47Å; L104-L335 VanDerWaalsContact CD2-CD1 3.47Å; F264-L335 HydrophobicContact CB-CD2 3.95Å; F264-L335 HydrophobicContact CD1-CD2 3.72Å; F264-L335 HydrophobicContact CG-CD2 4.34Å; F264-L335 WeakPolarHBondContact O-CD2 3.12Å; H331-L335 HydrophobicContact CB-CB 3.78Å; H331-L335 HydrophobicContact CB-CD1 3.98Å; H331-L335 HydrophobicContact CB-CG 4.15Å; G332-L335 CarbonylContact O-C 3.55Å; G332-L335 PolarHBondContact O-N 3.15Å
336P96.6Very high95.2Very high0 Ų045.3 Ų45.30%026%0.259CS..  trans-69.4168.8175.332.8-32.9000110.1P266 Q299 F300 F301 E333 E338P266-P336 HydrophobicContact CB-CG 3.9Å; P266-P336 HydrophobicContact CG-CG 4.27Å; Q299-P336 HydrophobicContact CG-CB 3.72Å; Q299-P336 HydrophobicContact CG-CG 3.64Å; F300-P336 WeakPolarHBondContact O-CA 3.33Å; F300-P336 VanDerWaalsContact O-CB 3.27Å; F300-P336 WeakPolarHBondContact O-CB 3.31Å; F301-P336 HydrophobicContact CB-CB 4.33Å; F301-P336 HydrophobicContact CD1-CB 4.43Å; E333-P336 WeakPolarHBondContact O-CD 3.24Å; P336-E338 HydrophobicContact CG-CG 4.47Å
337E97.3Very high95Very high1 Ų143.2 Ų43.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-76.2135.9161.717260.7-165.700108.9R109 Q299 F300 T329R109-E337 WeakPolarHBondContact CB-OE1 3.46Å; R109-E337 WeakPolarHBondContact CB-OE2 3.14Å; R109-E337 PolarHBondContact N-OE2 2.9Å; R109-E337 IonicContact NE-OE1 2.73Å; Q299-E337 CarbonylContact C-O 3.52Å; Q299-E337 VanDerWaalsContact CA-O 3.27Å; Q299-E337 WeakPolarHBondContact CA-O 3.33Å; F300-E337 HydrophobicContact CD1-CB 4.03Å; F300-E337 HydrophobicContact CD1-CG 3.91Å; F300-E337 HydrophobicContact CD2-CB 4.35Å; F300-E337 HydrophobicContact CE1-CB 3.64Å; F300-E337 HydrophobicContact CE1-CG 3.17Å; F300-E337 HydrophobicContact CE2-CB 4Å; F300-E337 HydrophobicContact CE2-CG 4.27Å; F300-E337 HydrophobicContact CG-CB 4.37Å; F300-E337 HydrophobicContact CZ-CB 3.64Å; F300-E337 HydrophobicContact CZ-CG 3.41Å; F300-E337 VanDerWaalsContact CZ-CG 3.41Å; F300-E337 PolarHBondContact N-O 3.08Å; F300-E337 PolarHBondContact O-N 3.23Å; T329-E337 HydrophobicContact CG2-CB 4.04Å
338E96.7Very high95Very high25 Ų2548.3 Ų48.312%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-136.2146.8174.9-77.7-177.1-151.900110.7F264 P266 S267 W298 Q299 P336F264-E338 HydrophobicContact CZ-CB 3.93Å; F264-E338 HydrophobicContact CZ-CG 3.94Å; P266-E338 WeakPolarHBondContact CA-OE1 3.4Å; P266-E338 WeakPolarHBondContact CB-OE1 3.3Å; S267-E338 WeakPolarHBondContact CB-OE2 3.03Å; S267-E338 PolarHBondContact N-OE1 3.05Å; S267-E338 PolarHBondContact N-OE2 3.5Å; S267-E338 PolarHBondContact OG-OE2 3.48Å; W298-E338 WeakPolarHBondContact O-CA 3.29Å; Q299-E338 HydrophobicContact CB-CG 3.86Å; Q299-E338 HydrophobicContact CG-CG 3.71Å; Q299-E338 PolarHBondContact NE2-OE1 3.46Å; P336-E338 HydrophobicContact CG-CG 4.47Å
339G96.3Very high95Very high24 Ų2448.3 Ų48.325%0.24727%0.27CS..EExtended strand (participates in β ladder)trans-165.5171.8172.800000112.4K297 W298K297-G339 WeakPolarHBondContact CA-O 3.35Å; W298-G339 VanDerWaalsContact CE2-CA 3.47Å; W298-G339 VanDerWaalsContact CZ2-CA 3.48Å; W298-G339 PolarHBondContact N-O 2.79Å; W298-G339 PolarHBondContact O-N 3.43Å; W298-G339 VanDerWaalsContact O-N 3.15Å
340A96.3Very high95Very high60 Ų6048.6 Ų48.650%0.49627%0.273SS..EExtended strand (participates in β ladder)trans-146.4151.5178.500000110T295 L296 K297T295-A340 HydrophobicContact CG2-CB 4.01Å; L296-A340 CarbonylContact O-C 3.59Å; L296-A340 VanDerWaalsContact O-CA 3.23Å; L296-A340 WeakPolarHBondContact O-CA 3.26Å; K297-A340 HydrophobicContact CB-CB 4.48Å; K297-A340 HydrophobicContact CG-CB 3.89Å
341I95.8Very high95.1Very high34 Ų3446.9 Ų46.917%0.17426%0.262CS..EExtended strand (participates in β ladder)trans-141.3147.7170.2-160.1156.7000110.8T295 L296 W298 V310 L321T295-I341 CarbonylContact C-O 3.57Å; T295-I341 WeakPolarHBondContact CA-O 3.46Å; L296-I341 HydrophobicContact CB-CG2 4.18Å; L296-I341 PolarHBondContact N-O 3.13Å; L296-I341 PolarHBondContact O-N 2.84Å; W298-I341 HydrophobicContact CH2-CB 4.37Å; W298-I341 HydrophobicContact CZ3-CB 4.18Å; W298-I341 HydrophobicContact CZ3-CG2 4.05Å; V310-I341 HydrophobicContact CG1-CG2 4.37Å; L321-I341 HydrophobicContact CB-CD1 3.52Å; L321-I341 HydrophobicContact CD1-CD1 4.23Å; L321-I341 HydrophobicContact CG-CD1 4.45Å
342S95Very high95.3Very high70 Ų7046.4 Ų46.449%0.4926%0.26SS..EExtended strand (participates in β ladder)trans-75.3133170-58.30000109.9
343C94.9Very high95.5Very high0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-106.985.5175.3-61.10000108.1V289 G292 G293 C294 L296 Y349V289-C343 HydrophobicContact CG1-CB 4.11Å; V289-C343 HydrophobicContact CG2-CB 4.05Å; G292-C343 CarbonylContact C-O 3.6Å; G293-C343 PolarHBondContact N-O 2.99Å; C294-C343 HydrophobicContact CB-CB 4.42Å; C294-C343 PolarHBondContact N-O 3.45Å; C294-C343 PolarHBondContact O-N 3.09Å; L296-C343 VanDerWaalsContact CB-SG 3.59Å; C343-Y349 VanDerWaalsContact CA-OH 3.29Å; C343-Y349 WeakPolarHBondContact CA-OH 3.31Å; C343-Y349 HydrophobicContact CB-CE1 3.87Å; C343-Y349 HydrophobicContact CB-CE2 3.92Å; C343-Y349 WeakPolarHBondContact SG-CE1 3.4Å
344D91.5Very high95.7Very high108 Ų10844.7 Ų44.758%0.57824%0.242SC*.  trans-78.4-36.2-177.3-63-42.5000111.8G292G292-D344 WeakPolarHBondContact CA-O 3.32Å
345D92.6Very high96Very high79 Ų7936.2 Ų36.242%0.42221%0.206SC..SBendtrans-94145.1179.1-60.5-48.5000111.7Y312 Y349Y312-D345 HydrophobicContact CE2-CB 3.94Å; Y312-D345 WeakPolarHBondContact OH-CB 3.34Å; D345-Y349 PolarHBondContact N-OH 3.48Å; D345-Y349 WeakPolarHBondContact O-CE2 3.3Å; D345-Y349 PolarHBondContact O-OH 3.09Å
346T93.1Very high95.9Very high73 Ų7337.6 Ų37.645%0.44822%0.215SC..  trans-73.5138.9167.157.30000110V289 Y312V289-T346 VanDerWaalsContact O-CA 3.32Å; V289-T346 WeakPolarHBondContact O-CA 3.32Å; Y312-T346 PolarHBondContact OH-O 2.81Å; Y312-T346 VanDerWaalsContact OH-O 3.12Å
347G93.9Very high95.4Very high13 Ų1339 Ų3913%0.13422%0.224CC..EExtended strand (participates in β ladder)trans157.7-160.9179.700000112.4V289V289-G347 PolarHBondContact N-O 2.92Å; V289-G347 PolarHBondContact O-N 3.26Å
348K96.2Very high94.6Very high106 Ų10644 Ų4446%0.46126%0.26SS..EExtended strand (participates in β ladder)trans-100.8116178.4-66.1-172.1176.2-165.60110.4Y312 K313Y312-K348 CarbonylContact C-O 3.38Å; Y312-K348 WeakPolarHBondContact CA-O 3.32Å; K313-K348 PolarHBondContact N-O 2.91Å; K313-K348 PolarHBondContact O-N 3.04Å
349Y97.3Very high94.1Very high5 Ų546 Ų462%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-96.2149.1168.1-65.6-107.4000108.5V287 V289 T311 Y312 L321 C343 D345V287-Y349 PolarHBondContact N-O 3.33Å; V287-Y349 PolarHBondContact O-N 2.57Å; V289-Y349 HydrophobicContact CB-CD2 3.9Å; V289-Y349 HydrophobicContact CB-CE2 3.77Å; V289-Y349 HydrophobicContact CG1-CE2 4.39Å; V289-Y349 HydrophobicContact CG2-CD2 3.41Å; V289-Y349 VanDerWaalsContact CG2-CD2 3.41Å; V289-Y349 HydrophobicContact CG2-CE2 3.65Å; V289-Y349 HydrophobicContact CG2-CG 4.27Å; T311-Y349 CarbonylContact O-C 3.55Å; T311-Y349 VanDerWaalsContact O-CA 3.29Å; T311-Y349 WeakPolarHBondContact O-CA 3.4Å; Y312-Y349 HydrophobicContact CD2-CD1 4.37Å; Y312-Y349 HydrophobicContact CD2-CD2 4.04Å; Y312-Y349 AromaticContact CD2-CE1 3.98Å; Y312-Y349 HydrophobicContact CD2-CE1 3.98Å; Y312-Y349 AromaticContact CD2-CE2 3.58Å; Y312-Y349 HydrophobicContact CD2-CE2 3.58Å; Y312-Y349 HydrophobicContact CD2-CG 4.4Å; Y312-Y349 AromaticContact CD2-CZ 3.54Å; Y312-Y349 AromaticContact CE2-CE2 3.94Å; Y312-Y349 HydrophobicContact CE2-CE2 3.94Å; L321-Y349 HydrophobicContact CD1-CD1 3.57Å; L321-Y349 HydrophobicContact CD1-CE1 3.46Å; L321-Y349 VanDerWaalsContact CD1-CE1 3.46Å; C343-Y349 VanDerWaalsContact CA-OH 3.29Å; C343-Y349 WeakPolarHBondContact CA-OH 3.31Å; C343-Y349 HydrophobicContact CB-CE1 3.87Å; C343-Y349 HydrophobicContact CB-CE2 3.92Å; C343-Y349 WeakPolarHBondContact SG-CE1 3.4Å; D345-Y349 PolarHBondContact N-OH 3.48Å; D345-Y349 WeakPolarHBondContact O-CE2 3.3Å; D345-Y349 PolarHBondContact O-OH 3.09Å
350A97.6Very high93.6Very high12 Ų1254.3 Ų54.310%0.09930%0.303CS..EExtended strand (participates in β ladder)trans-138.9132.317700000111.6A285 V310 T311 E352A285-A350 WeakPolarHBondContact O-CA 3.3Å; V310-A350 WeakPolarHBondContact CA-O 3.38Å; T311-A350 PolarHBondContact N-O 2.87Å; T311-A350 PolarHBondContact O-N 2.94Å; A350-E352 HydrophobicContact CB-CG 4.15Å; A350-E352 PolarHBondContact O-N 3.01Å
351L98.2Very high93.3Very high1 Ų159.2 Ų59.21%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-84.6103.2163.4-53.6-177.6000107.1C284 A285 L296 W298 F308 V310 F353 Y369C284-L351 WeakPolarHBondContact CA-O 3.4Å; A285-L351 HydrophobicContact CB-CB 4.22Å; A285-L351 PolarHBondContact N-O 3.07Å; A285-L351 PolarHBondContact O-N 3Å; L296-L351 HydrophobicContact CD2-CD2 4.09Å; W298-L351 HydrophobicContact CB-CD1 3.77Å; W298-L351 HydrophobicContact CB-CD2 4.34Å; W298-L351 HydrophobicContact CD2-CD2 4.14Å; W298-L351 HydrophobicContact CE3-CD2 3.92Å; W298-L351 HydrophobicContact CG-CD1 4.49Å; W298-L351 HydrophobicContact CG-CD2 4.33Å; F308-L351 HydrophobicContact CE2-CB 4.05Å; F308-L351 HydrophobicContact CE2-CD2 4.43Å; F308-L351 HydrophobicContact CZ-CD2 4.31Å; V310-L351 HydrophobicContact CG1-CD2 4.39Å; V310-L351 HydrophobicContact CG2-CD2 3.66Å; L351-F353 HydrophobicContact CB-CE2 3.67Å; L351-F353 HydrophobicContact CB-CZ 4.17Å; L351-F353 WeakPolarHBondContact O-CD2 3.23Å; L351-Y369 HydrophobicContact CD1-CD1 4.22Å; L351-Y369 HydrophobicContact CD1-CG 4.17Å
352E98.3Very high93.3Very high34 Ų3459.8 Ų59.816%0.15932%0.321CS..EExtended strand (participates in β ladder)trans-98.4123.6-175.9-46.7-179160.400111.2F308 T309 T311 R324 A350F308-E352 WeakPolarHBondContact CA-O 3.34Å; F308-E352 WeakPolarHBondContact CD2-O 3.45Å; T309-E352 HydrophobicContact CG2-CB 3.66Å; T309-E352 HydrophobicContact CG2-CG 3.94Å; T309-E352 VanDerWaalsContact CG2-OE2 3.3Å; T309-E352 WeakPolarHBondContact CG2-OE2 3.48Å; T309-E352 PolarHBondContact N-O 2.91Å; T309-E352 PolarHBondContact O-N 3.47Å; T309-E352 VanDerWaalsContact O-N 3.07Å; T311-E352 HydrophobicContact CG2-CG 4.31Å; T311-E352 VanDerWaalsContact CG2-OE1 3.31Å; T311-E352 WeakPolarHBondContact CG2-OE1 3.32Å; T311-E352 VanDerWaalsContact OG1-CD 3.3Å; T311-E352 PolarHBondContact OG1-OE1 3.19Å; R324-E352 IonicContact CZ-OE2 2.92Å; R324-E352 IonicContact NH1-OE2 3.73Å; R324-E352 PolarHBondContact NH1-OE2 2.94Å; R324-E352 IonicContact NH2-OE2 3.04Å; R324-E352 PolarHBondContact NH2-OE2 2.94Å; A350-E352 HydrophobicContact CB-CG 4.15Å; A350-E352 PolarHBondContact O-N 3.01Å
353F98.5Very high93.4Very high2 Ų256.5 Ų56.51%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-115.9126.5177.2-58.5-89.1000109.3I277 K282 Y283 F300 V306 S307 F308 L351 L365I277-F353 HydrophobicContact CD1-CB 3.6Å; K282-F353 CarbonylContact C-O 3.6Å; K282-F353 VanDerWaalsContact CA-O 3.24Å; K282-F353 WeakPolarHBondContact CA-O 3.38Å; Y283-F353 HydrophobicContact CD1-CD2 4.12Å; Y283-F353 PolarHBondContact N-O 2.91Å; Y283-F353 PolarHBondContact O-N 2.83Å; F300-F353 HydrophobicContact CB-CE1 4.43Å; F300-F353 AromaticContact CD1-CE1 3.74Å; F300-F353 HydrophobicContact CD1-CE1 3.74Å; F300-F353 HydrophobicContact CD1-CZ 4.11Å; F300-F353 AromaticContact CD2-CE1 3.99Å; F300-F353 HydrophobicContact CD2-CE1 3.99Å; F300-F353 AromaticContact CE1-CE1 3.89Å; F300-F353 HydrophobicContact CE1-CE1 3.89Å; F300-F353 HydrophobicContact CE2-CE1 4.13Å; F300-F353 AromaticContact CG-CE1 3.79Å; F300-F353 HydrophobicContact CG-CE1 3.79Å; F300-F353 HydrophobicContact CG-CZ 4.3Å; F300-F353 HydrophobicContact CZ-CE1 4.07Å; V306-F353 HydrophobicContact CG2-CB 3.95Å; V306-F353 HydrophobicContact CG2-CD1 4.21Å; S307-F353 CarbonylContact O-C 3.48Å; S307-F353 WeakPolarHBondContact O-CA 3.13Å; F308-F353 HydrophobicContact CB-CD1 4.35Å; F308-F353 AromaticContact CD2-CD1 3.59Å; F308-F353 HydrophobicContact CD2-CD1 3.59Å; F308-F353 AromaticContact CD2-CE1 3.29Å; F308-F353 HydrophobicContact CD2-CE1 3.29Å; F308-F353 HydrophobicContact CD2-CE2 4.29Å; F308-F353 HydrophobicContact CD2-CG 4.21Å; F308-F353 AromaticContact CD2-CZ 3.68Å; F308-F353 HydrophobicContact CD2-CZ 3.68Å; F308-F353 HydrophobicContact CE2-CD1 4.33Å; F308-F353 AromaticContact CE2-CE1 3.67Å; F308-F353 HydrophobicContact CE2-CE1 3.67Å; F308-F353 HydrophobicContact CE2-CE2 4.15Å; F308-F353 AromaticContact CE2-CZ 3.56Å; F308-F353 HydrophobicContact CE2-CZ 3.56Å; F308-F353 HydrophobicContact CG-CD1 4.23Å; F308-F353 AromaticContact CG-CE1 3.97Å; F308-F353 HydrophobicContact CG-CE1 3.97Å; F308-F353 HydrophobicContact CZ-CZ 4.48Å; L351-F353 HydrophobicContact CB-CE2 3.67Å; L351-F353 HydrophobicContact CB-CZ 4.17Å; L351-F353 WeakPolarHBondContact O-CD2 3.23Å; F353-L365 HydrophobicContact CB-CD2 4.15Å; F353-L365 HydrophobicContact CD1-CD1 3.85Å; F353-L365 HydrophobicContact CD1-CD2 3.8Å; F353-L365 HydrophobicContact CD1-CG 4.5Å; F353-L365 HydrophobicContact CD2-CD2 3.6Å; F353-L365 HydrophobicContact CE1-CD1 3.71Å; F353-L365 HydrophobicContact CE1-CD2 4.04Å; F353-L365 HydrophobicContact CE2-CD2 3.85Å; F353-L365 HydrophobicContact CG-CD1 4.47Å; F353-L365 HydrophobicContact CG-CD2 3.56Å; F353-L365 HydrophobicContact CZ-CD1 4.23Å; F353-L365 HydrophobicContact CZ-CD2 4.07Å
354W97.7Very high93.5Very high95 Ų9560.2 Ų60.236%0.3631%0.312SS..EExtended strand (participates in β ladder)trans-122.4122.5176179.742.7000110.4N280 K281 K282 V306 S307 V356N280-W354 PolarHBondContact O-NE1 3.21Å; K281-W354 VanDerWaalsContact O-CD1 3.31Å; K282-W354 HydrophobicContact CG-CB 4Å; K282-W354 HydrophobicContact CG-CG 3.96Å; V306-W354 WeakPolarHBondContact CG2-O 3.32Å; S307-W354 PolarHBondContact N-O 2.89Å; S307-W354 PolarHBondContact O-N 2.9Å; W354-V356 HydrophobicContact CD2-CG1 4.26Å; W354-V356 HydrophobicContact CE3-CG1 3.83Å; W354-V356 HydrophobicContact CZ3-CG1 4.11Å; W354-V356 PolarHBondContact O-N 3.01Å; W354-V356 VanDerWaalsContact O-N 3.09Å
355N97.5Very high93.8Very high0 Ų055 Ų550%028%0.284CS..  trans-73.7102.5174.5-176.2-4000109.3I277 P278 N280 K281 S357 L363I277-N355 HydrophobicContact CB-CB 4.28Å; I277-N355 HydrophobicContact CG2-CB 3.8Å; I277-N355 PolarHBondContact O-ND2 2.98Å; P278-N355 WeakPolarHBondContact O-CB 3.31Å; P278-N355 PolarHBondContact O-ND2 3.26Å; N280-N355 WeakPolarHBondContact CA-O 3.25Å; N280-N355 PolarHBondContact N-O 3.35Å; K281-N355 PolarHBondContact O-N 3.01Å; N355-S357 PolarHBondContact O-N 3.08Å; N355-S357 WeakPolarHBondContact OD1-CB 3.31Å; N355-S357 PolarHBondContact OD1-N 3.06Å; N355-L363 HydrophobicContact CB-CB 4.3Å; N355-L363 PolarHBondContact ND2-N 2.77Å
356V93.4Very high94.1Very high47 Ų4751.6 Ų51.629%0.28527%0.266SS..  trans-76-4.5179.5-61.40000113.3A305 V326 W354 S358A305-V356 HydrophobicContact CB-CG2 4.4Å; V326-V356 HydrophobicContact CG1-CG2 3.98Å; V326-V356 HydrophobicContact CG2-CG1 4.17Å; W354-V356 HydrophobicContact CD2-CG1 4.26Å; W354-V356 HydrophobicContact CE3-CG1 3.83Å; W354-V356 HydrophobicContact CZ3-CG1 4.11Å; W354-V356 PolarHBondContact O-N 3.01Å; W354-V356 VanDerWaalsContact O-N 3.09Å; V356-S358 PolarHBondContact O-N 3.47Å
357S86.4Confident94.3Very high29 Ų2949 Ų4920%0.20325%0.248CC..  trans-68132.1178.8-165.40000111N355 T359N355-S357 PolarHBondContact O-N 3.08Å; N355-S357 WeakPolarHBondContact OD1-CB 3.31Å; N355-S357 PolarHBondContact OD1-N 3.06Å; S357-T359 VanDerWaalsContact C-N 3.32Å; S357-T359 WeakPolarHBondContact OG-CB 3.34Å; S357-T359 WeakPolarHBondContact OG-CG2 3.49Å; S357-T359 PolarHBondContact OG-N 2.74Å; S357-T359 VanDerWaalsContact OG-N 3.16Å; S357-T359 PolarHBondContact OG-OG1 2.9Å
358S80.2Confident94.5Very high108 Ų10848.6 Ų48.676%0.75524%0.244SC*.  trans-88.81.9165.957.60000113V356V356-S358 PolarHBondContact O-N 3.47Å
359T85.1Confident94.4Very high65 Ų6548.1 Ų48.140%0.39924%0.24SC..SBendtrans-77.4176.9175.374.70000111.1P279 S357 F361P279-T359 WeakPolarHBondContact CB-O 3.45Å; P279-T359 WeakPolarHBondContact CG-O 3.29Å; S357-T359 VanDerWaalsContact C-N 3.32Å; S357-T359 WeakPolarHBondContact OG-CB 3.34Å; S357-T359 WeakPolarHBondContact OG-CG2 3.49Å; S357-T359 PolarHBondContact OG-N 2.74Å; S357-T359 VanDerWaalsContact OG-N 3.16Å; S357-T359 PolarHBondContact OG-OG1 2.9Å; T359-F361 VanDerWaalsContact C-N 3.34Å; T359-F361 PolarHBondContact OG1-N 3.44Å
360F85.5Confident94.3Very high199 Ų19950.2 Ų50.287%0.87326%0.255SS*.SBendtrans-84.4-7.4177.4-53-77.7000113.7
361F91Very high94.1Very high163 Ų16353.2 Ų53.272%0.71527%0.269SS*.PPolyproline II helixtrans-86.3130-172.5-61.7-69.7000111.9T359T359-F361 VanDerWaalsContact C-N 3.34Å; T359-F361 PolarHBondContact OG1-N 3.44Å
362S95.4Very high93.8Very high47 Ų4755.2 Ų55.233%0.32928%0.283SS..PPolyproline II helixtrans-65.4138.9168.9-61.50000110.7I277I277-S362 CarbonylContact O-C 3.57Å; I277-S362 WeakPolarHBondContact O-CA 3.49Å
363L96.4Very high93.2Very high0 Ų059.5 Ų59.50%030%0.303CS..EExtended strand (participates in β ladder)trans-77.7130.5170.9174.5149.7000109.1W276 I277 V302 S304 A305 V306 N355 L365W276-L363 CarbonylContact C-O 3.57Å; W276-L363 WeakPolarHBondContact CA-O 3.41Å; I277-L363 HydrophobicContact CB-CD2 4.49Å; I277-L363 HydrophobicContact CD1-CD2 4.1Å; I277-L363 HydrophobicContact CG1-CD2 4.37Å; I277-L363 PolarHBondContact N-O 3.06Å; I277-L363 PolarHBondContact O-N 2.87Å; V302-L363 HydrophobicContact CB-CD1 4.31Å; V302-L363 HydrophobicContact CB-CD2 4.29Å; V302-L363 HydrophobicContact CB-CG 4.43Å; V302-L363 HydrophobicContact CG1-CD1 4.41Å; V302-L363 HydrophobicContact CG1-CD2 3.88Å; S304-L363 VanDerWaalsContact O-CD1 3.27Å; S304-L363 WeakPolarHBondContact O-CD1 3.14Å; S304-L363 WeakPolarHBondContact OG-CD1 3.18Å; A305-L363 VanDerWaalsContact O-CD1 3.31Å; A305-L363 WeakPolarHBondContact O-CD1 3.02Å; V306-L363 HydrophobicContact CB-CD1 3.69Å; V306-L363 HydrophobicContact CG2-CD1 4.12Å; N355-L363 HydrophobicContact CB-CB 4.3Å; N355-L363 PolarHBondContact ND2-N 2.77Å; L363-L365 HydrophobicContact CD2-CB 3.96Å
364R97.4Very high91.6Very high78 Ų7862.6 Ų62.629%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-84122.7168-166.1-17278-155.8-3.8108.8R274 W276 V302 S303 D366R274-R364 HydrophobicContact CG-CG 4.14Å; W276-R364 HydrophobicContact CD2-CB 4.34Å; W276-R364 HydrophobicContact CD2-CG 4.34Å; W276-R364 HydrophobicContact CE3-CB 3.88Å; W276-R364 HydrophobicContact CE3-CG 4.36Å; W276-R364 HydrophobicContact CH2-CB 3.89Å; W276-R364 HydrophobicContact CH2-CG 4.01Å; W276-R364 HydrophobicContact CZ2-CB 4.3Å; W276-R364 HydrophobicContact CZ2-CG 3.95Å; W276-R364 HydrophobicContact CZ3-CB 3.66Å; W276-R364 HydrophobicContact CZ3-CG 4.22Å; V302-R364 VanDerWaalsContact CA-O 3.26Å; V302-R364 WeakPolarHBondContact CA-O 3.31Å; S303-R364 PolarHBondContact N-O 3.16Å; S303-R364 PolarHBondContact OG-N 3.3Å; R364-D366 IonicContact CZ-OD2 3.19Å; R364-D366 IonicContact NE-OD2 2.6Å; R364-D366 PolarHBondContact NE-OD2 2.9Å; R364-D366 IonicContact NH2-OD2 3.51Å; R364-D366 PolarHBondContact NH2-OD2 2.88Å
365L98.3Very high89.5Confident0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-111121.8171.4172.866.1000108.4R274 V275 I277 Y283 F300 V302 F353 L363 Y367R274-L365 CarbonylContact C-O 3.51Å; R274-L365 WeakPolarHBondContact CA-O 3.03Å; V275-L365 PolarHBondContact N-O 2.96Å; V275-L365 PolarHBondContact O-N 3.23Å; I277-L365 HydrophobicContact CD1-CB 4.21Å; I277-L365 HydrophobicContact CD1-CD2 3.98Å; Y283-L365 HydrophobicContact CD1-CD2 4Å; Y283-L365 HydrophobicContact CE1-CD2 4.45Å; F300-L365 HydrophobicContact CB-CD1 3.86Å; F300-L365 HydrophobicContact CD2-CD1 3.83Å; F300-L365 HydrophobicContact CG-CD1 4.08Å; V302-L365 HydrophobicContact CG1-CD1 3.67Å; F353-L365 HydrophobicContact CB-CD2 4.15Å; F353-L365 HydrophobicContact CD1-CD1 3.85Å; F353-L365 HydrophobicContact CD1-CD2 3.8Å; F353-L365 HydrophobicContact CD1-CG 4.5Å; F353-L365 HydrophobicContact CD2-CD2 3.6Å; F353-L365 HydrophobicContact CE1-CD1 3.71Å; F353-L365 HydrophobicContact CE1-CD2 4.04Å; F353-L365 HydrophobicContact CE2-CD2 3.85Å; F353-L365 HydrophobicContact CG-CD1 4.47Å; F353-L365 HydrophobicContact CG-CD2 3.56Å; F353-L365 HydrophobicContact CZ-CD1 4.23Å; F353-L365 HydrophobicContact CZ-CD2 4.07Å; L363-L365 HydrophobicContact CD2-CB 3.96Å; L365-Y367 HydrophobicContact CD2-CD1 3.97Å; L365-Y367 HydrophobicContact CD2-CG 4.29Å; L365-Y367 HydrophobicContact CG-CD1 4.03Å; L365-Y367 HydrophobicContact CG-CG 4.36Å
366D97.9Very high86.8Confident7 Ų770.5 Ų70.54%0.03739%0.389CS..EExtended strand (participates in β ladder)trans-109.4117.9166.7-66.4-92.4000107.1S273 R274 F300 F301 R364S273-D366 CarbonylContact O-C 3.53Å; S273-D366 WeakPolarHBondContact O-CA 3.29Å; R274-D366 IonicContact CZ-OD1 2.84Å; R274-D366 IonicContact NE-OD1 3.31Å; R274-D366 PolarHBondContact NE-OD1 3.25Å; R274-D366 IonicContact NE-OD2 3.47Å; R274-D366 IonicContact NH2-OD1 3.89Å; R274-D366 PolarHBondContact NH2-OD1 2.81Å; R274-D366 IonicContact NH2-OD2 3.6Å; F300-D366 CarbonylContact C-O 3.56Å; F300-D366 WeakPolarHBondContact CA-O 2.86Å; F300-D366 VanDerWaalsContact CB-O 3.32Å; F300-D366 WeakPolarHBondContact CB-O 3.43Å; F301-D366 HydrophobicContact CD1-CB 3.99Å; F301-D366 HydrophobicContact CD2-CB 3.96Å; F301-D366 HydrophobicContact CE1-CB 3.51Å; F301-D366 HydrophobicContact CE2-CB 3.49Å; F301-D366 VanDerWaalsContact CE2-CB 3.49Å; F301-D366 VanDerWaalsContact CE2-CG 3.49Å; F301-D366 VanDerWaalsContact CE2-OD2 3.29Å; F301-D366 WeakPolarHBondContact CE2-OD2 3.16Å; F301-D366 HydrophobicContact CG-CB 4.2Å; F301-D366 HydrophobicContact CZ-CB 3.25Å; F301-D366 PolarHBondContact N-O 2.77Å; F301-D366 PolarHBondContact O-N 3.04Å; R364-D366 IonicContact CZ-OD2 3.19Å; R364-D366 IonicContact NE-OD2 2.6Å; R364-D366 PolarHBondContact NE-OD2 2.9Å; R364-D366 IonicContact NH2-OD2 3.51Å; R364-D366 PolarHBondContact NH2-OD2 2.88Å
367Y97.9Very high84Confident18 Ų1870.7 Ų70.77%0.07140%0.401CS..EExtended strand (participates in β ladder)trans-143.1157.5-173.181.5-71.4000112.8K272 S273 V275 Y283 A285 Q299 L365 Y369K272-Y367 WeakPolarHBondContact CA-O 3.33Å; S273-Y367 PolarHBondContact N-O 2.83Å; S273-Y367 PolarHBondContact O-N 3.19Å; V275-Y367 HydrophobicContact CG2-CE1 3.95Å; Y283-Y367 AromaticContact CE1-CE1 3.83Å; Y283-Y367 HydrophobicContact CE1-CE1 3.83Å; Y283-Y367 AromaticContact CE1-CZ 3.84Å; Y283-Y367 PolarHBondContact OH-OH 2.99Å; A285-Y367 HydrophobicContact CB-CD2 4.46Å; A285-Y367 HydrophobicContact CB-CE2 3.54Å; Q299-Y367 CarbonylContact O-C 3.52Å; Q299-Y367 VanDerWaalsContact O-CA 3.29Å; Q299-Y367 WeakPolarHBondContact O-CA 3.29Å; L365-Y367 HydrophobicContact CD2-CD1 3.97Å; L365-Y367 HydrophobicContact CD2-CG 4.29Å; L365-Y367 HydrophobicContact CG-CD1 4.03Å; L365-Y367 HydrophobicContact CG-CG 4.36Å; Y367-Y369 HydrophobicContact CD2-CD1 4.19Å; Y367-Y369 AromaticContact CE2-CD1 3.73Å; Y367-Y369 HydrophobicContact CE2-CD1 3.73Å; Y367-Y369 AromaticContact CE2-CE1 3.9Å; Y367-Y369 HydrophobicContact CE2-CE1 3.9Å
368A97.4Very high81.4Confident5 Ų577.1 Ų77.14%0.04143%0.432CS..EExtended strand (participates in β ladder)trans-144.3154.5169.900000109.2F269 K272 W298 Q299F269-A368 HydrophobicContact CB-CB 3.74Å; F269-A368 HydrophobicContact CD1-CB 3.79Å; F269-A368 HydrophobicContact CG-CB 4.08Å; K272-A368 HydrophobicContact CG-CB 4.27Å; W298-A368 WeakPolarHBondContact CA-O 3.36Å; Q299-A368 PolarHBondContact N-O 3.25Å; Q299-A368 PolarHBondContact O-N 3.1Å
369Y96Very high79.3Confident96 Ų9678.4 Ų78.438%0.37644%0.435SS..EExtended strand (participates in β ladder)trans-145.3157.9171.566.2-87.6000110.4A285 V287 L296 K297 L351 Y367A285-Y369 HydrophobicContact CB-CD1 4.5Å; A285-Y369 HydrophobicContact CB-CE1 4.17Å; V287-Y369 HydrophobicContact CB-CE2 4.45Å; V287-Y369 HydrophobicContact CG1-CE2 4.29Å; V287-Y369 HydrophobicContact CG2-CD2 3.68Å; V287-Y369 HydrophobicContact CG2-CE2 3.44Å; V287-Y369 VanDerWaalsContact CG2-CE2 3.44Å; V287-Y369 HydrophobicContact CG2-CG 4.4Å; L296-Y369 HydrophobicContact CD1-CD2 4.1Å; K297-Y369 CarbonylContact O-C 3.57Å; K297-Y369 WeakPolarHBondContact O-CA 3.27Å; K297-Y369 VanDerWaalsContact O-CB 3.31Å; K297-Y369 WeakPolarHBondContact O-CB 3.4Å; L351-Y369 HydrophobicContact CD1-CD1 4.22Å; L351-Y369 HydrophobicContact CD1-CG 4.17Å; Y367-Y369 HydrophobicContact CD2-CD1 4.19Å; Y367-Y369 AromaticContact CE2-CD1 3.73Å; Y367-Y369 HydrophobicContact CE2-CD1 3.73Å; Y367-Y369 AromaticContact CE2-CE1 3.9Å; Y367-Y369 HydrophobicContact CE2-CE1 3.9Å
370S95Very high76.7Confident49 Ų4980.3 Ų80.334%0.34345%0.447SS..EExtended strand (participates in β ladder)trans-142.5147.2175.358.80000110.1K297K297-S370 PolarHBondContact N-O 2.79Å; K297-S370 PolarHBondContact O-N 3.03Å
371L93.5Very high74Confident74 Ų7482.3 Ų82.339%0.38745%0.449SS..EExtended strand (participates in β ladder)trans-111.4118.8171.8-168.472000107.2V289 C294 T295 L296V289-L371 HydrophobicContact CG2-CD1 4Å; V289-L371 HydrophobicContact CG2-CD2 4.14Å; C294-L371 HydrophobicContact CB-CD1 3.6Å; C294-L371 HydrophobicContact CB-CD2 4.33Å; C294-L371 HydrophobicContact CB-CG 3.85Å; T295-L371 WeakPolarHBondContact O-CA 3.19Å; L296-L371 HydrophobicContact CB-CD1 4.19Å
372S91.1Very high71.1Confident44 Ų4478.8 Ų78.831%0.30844%0.441SS..EExtended strand (participates in β ladder)trans-116.9138.4176.5560000110.3C294 T295C294-S372 CarbonylContact C-O 3.53Å; C294-S372 WeakPolarHBondContact CA-O 3.46Å; T295-S372 PolarHBondContact N-O 2.86Å; T295-S372 PolarHBondContact O-N 3.32Å
373E84.9Confident68Low123 Ų12383.1 Ų83.158%0.57546%0.456SS*.EExtended strand (participates in β ladder)trans-65.4137.3167.3-62.6-164145.600109.5K291 V375K291-E373 IonicContact NZ-OE1 3.69Å; K291-E373 PolarHBondContact NZ-OE1 2.66Å; K291-E373 IonicContact NZ-OE2 3.7Å; E373-V375 PolarHBondContact O-N 2.8Å
374S66.8Low65Low67 Ų6789.7 Ų89.747%0.46950%0.498SS..PPolyproline II helixtrans-64118.7169.1-55.10000107.7G293 S376G293-S374 VanDerWaalsContact O-CB 3.27Å; G293-S374 WeakPolarHBondContact O-CB 3.48Å; G293-S374 PolarHBondContact O-N 2.87Å; G293-S374 PolarHBondContact O-OG 2.97Å; S374-S376 PolarHBondContact O-N 2.82Å
375V52.8Low62.1Low132 Ų13288.5 Ų88.580%0.851%0.51SS*.PPolyproline II helixtrans-61.4116.4173.9-177.70000106.9E373 G377E373-V375 PolarHBondContact O-N 2.8Å; V375-G377 PolarHBondContact O-N 2.89Å
376S39.9Very low58.9Low129 Ų12991 Ų9190%0.90253%0.528SS*.SBendtrans-68.284.8173.857.80000109S374S374-S376 PolarHBondContact O-N 2.82Å
377G35.6Very low55.9Low52 Ų5294.8 Ų94.854%0.53654%0.542SS..SBendtrans175.5104.7178.400000109.5V375V375-G377 PolarHBondContact O-N 2.89Å
378D32.3Very low52.7Low163 Ų16398.8 Ų98.887%0.87256%0.564SS**SBendtrans65.566.6170.1-60.8-21.9000118.4
379V34.6Very low49.4Very low135 Ų135106 Ų10682%0.81860%0.602SS**  trans-148.8121.2137.3-1680000108.6R381V379-R381 PolarHBondContact O-N 3.43Å
380T31.2Very low46.3Very low106 Ų106107.8 Ų107.865%0.6562%0.618SS**  trans-48.4122.2166.217.10000109.9V382T380-V382 PolarHBondContact O-N 3.38Å; T380-V382 VanDerWaalsContact O-N 3.1Å
381R29.5Very low43.2Very low240 Ų240110.1 Ų110.191%0.90663%0.634SS**  trans-50.2116.8173.3-82.2178.1168.9170.3-5.1109.5V379V379-R381 PolarHBondContact O-N 3.43Å
382V29.8Very low40.3Very low89 Ų89115.9 Ų115.954%0.53966%0.656SS.*  trans-100.6104.7164.8-177.30000106.2T380 L388T380-V382 PolarHBondContact O-N 3.38Å; T380-V382 VanDerWaalsContact O-N 3.1Å; V382-L388 HydrophobicContact CG2-CD1 3.67Å
383E30.4Very low37.4Very low139 Ų139119.1 Ų119.165%0.6567%0.674SS**  trans-67.8148.4169.4-73.5-178.8171.300109.7G385 S386E383-G385 PolarHBondContact O-N 2.68Å; E383-S386 PolarHBondContact N-OG 3.37Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 2.86Å
384P32.5Very low34.7Very low137 Ų137121.7 Ų121.789%0.8969%0.686SS**THydrogen-bonded Turntrans-53.4113174.5-18.429.5000109.8
385G37.8Very low33.2Very low53 Ų53125.1 Ų125.155%0.54671%0.705SS.*THydrogen-bonded Turntrans96.12.4179.100000116.8E383 Y387E383-G385 PolarHBondContact O-N 2.68Å; G385-Y387 VanDerWaalsContact O-CD2 3.31Å; G385-Y387 WeakPolarHBondContact O-CD2 3.32Å; G385-Y387 WeakPolarHBondContact O-CE2 3.15Å
386S29.6Very low32.2Very low53 Ų53130.6 Ų130.637%0.37173%0.728SS.*  trans-94.1103.4171.454.40000111.8E383 L388E383-S386 PolarHBondContact N-OG 3.37Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 2.86Å; S386-L388 PolarHBondContact O-N 2.83Å
387Y36.2Very low31.8Very low86 Ų86130.7 Ų130.734%0.33772%0.719SS.*  trans-71.9107.9175.3-57.7-89.5000109.4D52 N58 E61 G385 N389D52-Y387 WeakPolarHBondContact OD2-CE2 3.48Å; D52-Y387 PolarHBondContact OD2-OH 3.07Å; N58-Y387 HydrophobicContact CB-CD1 3.66Å; N58-Y387 HydrophobicContact CB-CD2 4.45Å; N58-Y387 HydrophobicContact CB-CE1 3.12Å; N58-Y387 HydrophobicContact CB-CE2 4.02Å; N58-Y387 HydrophobicContact CB-CG 4.3Å; N58-Y387 WeakPolarHBondContact ND2-CD2 3.31Å; N58-Y387 WeakPolarHBondContact ND2-CE2 3.4Å; E61-Y387 HydrophobicContact CB-CD1 3.73Å; E61-Y387 HydrophobicContact CB-CE1 3.91Å; E61-Y387 HydrophobicContact CG-CD1 4.25Å; G385-Y387 VanDerWaalsContact O-CD2 3.31Å; G385-Y387 WeakPolarHBondContact O-CD2 3.32Å; G385-Y387 WeakPolarHBondContact O-CE2 3.15Å; Y387-N389 PolarHBondContact O-N 3.19Å
388L30.2Very low31.6Very low102 Ų102134.8 Ų134.853%0.53473%0.729SS.*  trans-65.1103.6169.1-86.4164.2000108.9V382 S386 L390V382-L388 HydrophobicContact CG2-CD1 3.67Å; S386-L388 PolarHBondContact O-N 2.83Å; L388-L390 VanDerWaalsContact C-N 3.26Å; L388-L390 PolarHBondContact O-N 2.95Å
389N27.5Very low31.5Very low156 Ų156133.3 Ų133.383%0.83472%0.721SS**  trans-6388.9162-83.2-31.2000108.5Y387 S391Y387-N389 PolarHBondContact O-N 3.19Å; N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 VanDerWaalsContact O-N 3.08Å
390L30.6Very low31.4Very low135 Ų135133.2 Ų133.271%0.70772%0.716SS**  trans-76.888.4161.8-72.2170.7000107.4L388 F392L388-L390 VanDerWaalsContact C-N 3.26Å; L388-L390 PolarHBondContact O-N 2.95Å; L390-F392 HydrophobicContact CB-CE2 4.39Å; L390-F392 PolarHBondContact O-N 3.12Å; L390-F392 VanDerWaalsContact O-N 3.08Å
391S29.5Very low31.4Very low97 Ų97134.9 Ų134.968%0.67872%0.72SS**  trans-64105164.457.20000108.2N389 T393N389-S391 VanDerWaalsContact C-N 3.27Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 VanDerWaalsContact O-N 3.08Å; S391-T393 VanDerWaalsContact C-N 3.32Å; S391-T393 PolarHBondContact O-N 3Å
392F32.7Very low31.5Very low195 Ų195127.9 Ų127.986%0.85571%0.707SS**  trans-72.392.1163.7-78.6-88.9000107.9L390 E394L390-F392 HydrophobicContact CB-CE2 4.39Å; L390-F392 PolarHBondContact O-N 3.12Å; L390-F392 VanDerWaalsContact O-N 3.08Å; F392-E394 PolarHBondContact O-N 2.8Å
393T31Very low31.6Very low113 Ų113130.6 Ų130.669%0.69372%0.719SS**  trans-75.5115160.342.70000108.8S391S391-T393 VanDerWaalsContact C-N 3.32Å; S391-T393 PolarHBondContact O-N 3Å
394E28.4Very low31.7Very low177 Ų177130 Ų13083%0.82773%0.725SS**  trans55.1111.9140.5-61.8-179.3167.300118.4F392F392-E394 PolarHBondContact O-N 2.8Å
395T34.6Very low31.6Very low139 Ų139129.4 Ų129.485%0.85371%0.711SS**  trans-151.5100.4133.9-50000109.8
396L31.7Very low31.1Very low247 Ų247136.4 Ų136.4100%1.29373%0.726SS**  trans61.40161.1-68.9161.6000119.3

Retrieved 396 of 396 residues in 224.9 ms (Link to these results)

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