A0A087XLI2_POEFO Loading...

Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial

Allows the formation of correctly charged Gln-tRNA(Gln) through the transamidation of misacylated Glu-tRNA(Gln) in the mitochondria. The reaction takes place in the presence of glutamine and ATP through an activated gamma-phospho-Glu-tRNA(Gln).

AlphaFold DB , UniProt , Accession A0A087XLI2, Species POEFO (Poecilia formosa, Amazon molly), Gene QRSL1, Length 521 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
1M68.2Low87.8Confident121 Ų12152.4 Ų52.460%0.59629%0.292SS*.  0-47.50-71.5-148.2-93.900113.4G3 L4 I18 Y180M1-G3 PolarHBondContact O-N 2.66Å; M1-L4 VanDerWaalsContact O-CG 3.3Å; M1-L4 WeakPolarHBondContact O-CG 3.43Å; M1-L4 PolarHBondContact O-N 3Å; M1-I18 HydrophobicContact SD-CB 4.22Å; M1-I18 HydrophobicContact SD-CD1 3.9Å; M1-I18 HydrophobicContact SD-CG1 4.48Å; M1-Y180 PolarHBondContact O-OH 2.81Å
2L84.2Confident88.4Confident37 Ų3748.2 Ų48.219%0.19427%0.269CS..THydrogen-bonded Turntrans-67.5-19.9179.2-70.5179.9000115L4 L23 K26 R30 C177 Y180 R230L2-L4 VanDerWaalsContact C-N 3.35Å; L2-L23 HydrophobicContact CD2-CD1 3.88Å; L2-K26 HydrophobicContact CD1-CB 4.43Å; L2-K26 HydrophobicContact CD2-CB 3.83Å; L2-K26 HydrophobicContact CG-CB 4.33Å; L2-R30 HydrophobicContact CD1-CB 4.15Å; L2-R30 HydrophobicContact CD1-CG 4.37Å; L2-C177 HydrophobicContact CB-CB 4Å; L2-Y180 PolarHBondContact O-OH 2.89Å; L2-R230 PolarHBondContact O-NH2 2.69Å
3G81.7Confident89Confident54 Ų5445.3 Ų45.356%0.55725%0.252SS*.THydrogen-bonded Turntrans-86.44.8178.100000115.3M1M1-G3 PolarHBondContact O-N 2.66Å
4L89Confident89.1Confident40 Ų4055.8 Ų55.821%0.20929%0.286CS..  trans-66.9158.2176.9-65.7176.7000111M1 L2 E8 V9 Y180 R230M1-L4 VanDerWaalsContact O-CG 3.3Å; M1-L4 WeakPolarHBondContact O-CG 3.43Å; M1-L4 PolarHBondContact O-N 3Å; L2-L4 VanDerWaalsContact C-N 3.35Å; L4-E8 WeakPolarHBondContact CA-OE2 3.49Å; L4-E8 HydrophobicContact CB-CB 3.96Å; L4-E8 HydrophobicContact CD1-CB 4.48Å; L4-E8 HydrophobicContact CD2-CB 4.08Å; L4-E8 HydrophobicContact CG-CB 4.37Å; L4-V9 HydrophobicContact CB-CG2 3.75Å; L4-V9 HydrophobicContact CD1-CG2 4.32Å; L4-Y180 WeakPolarHBondContact O-CE1 3.45Å; L4-R230 PolarHBondContact O-NH2 3.07Å
5T91Very high89.4Confident45 Ų4559.4 Ų59.428%0.27630%0.301SS..  trans-77.1167.3167.361.70000111K7 E8 V9T5-K7 VanDerWaalsContact C-N 3.29Å; T5-K7 PolarHBondContact O-N 3.35Å; T5-E8 PolarHBondContact N-OE2 2.67Å; T5-E8 PolarHBondContact O-N 3.16Å; T5-E8 WeakPolarHBondContact OG1-CB 3.23Å; T5-E8 VanDerWaalsContact OG1-CG 3.23Å; T5-E8 WeakPolarHBondContact OG1-CG 3.32Å; T5-E8 PolarHBondContact OG1-N 2.7Å; T5-E8 PolarHBondContact OG1-OE2 2.95Å; T5-V9 WeakPolarHBondContact O-CG2 3.39Å; T5-V9 PolarHBondContact O-N 2.95Å
6L91.9Very high89.6Confident1 Ų159.7 Ų59.71%0.00532%0.323CS..Hα-helixtrans-61.5-38.3176.7-65.6179.1000112.3V9 S10 L68 I71 Y180 D234 I237L6-V9 PolarHBondContact O-N 3.5Å; L6-S10 WeakPolarHBondContact O-CB 3.35Å; L6-S10 PolarHBondContact O-N 2.96Å; L6-S10 PolarHBondContact O-OG 3.01Å; L6-L68 HydrophobicContact CD1-CD2 3.8Å; L6-I71 HydrophobicContact CD2-CB 4.33Å; L6-I71 HydrophobicContact CD2-CD1 4.1Å; L6-I71 HydrophobicContact CD2-CG1 4.14Å; L6-I71 HydrophobicContact CD2-CG2 3.28Å; L6-Y180 HydrophobicContact CD2-CD1 4.1Å; L6-Y180 HydrophobicContact CD2-CG 4.14Å; L6-D234 WeakPolarHBondContact CB-OD1 3.45Å; L6-D234 HydrophobicContact CD1-CB 3.67Å; L6-D234 HydrophobicContact CG-CB 3.89Å; L6-D234 VanDerWaalsContact CG-CG 3.47Å; L6-D234 VanDerWaalsContact CG-OD1 3.25Å; L6-D234 WeakPolarHBondContact CG-OD1 3.45Å; L6-D234 PolarHBondContact N-OD1 3.41Å; L6-I237 HydrophobicContact CB-CD1 4.36Å
7K88.9Confident90Very high86 Ų8664 Ų6437%0.37433%0.334SS..Hα-helixtrans-62-47176.5-70.9-170.7177.4-172.40111T5 S10 L11 I237T5-K7 VanDerWaalsContact C-N 3.29Å; T5-K7 PolarHBondContact O-N 3.35Å; K7-S10 PolarHBondContact O-N 3.28Å; K7-L11 PolarHBondContact O-N 3.45Å; K7-I237 HydrophobicContact CG-CD1 3.96Å
8E93.7Very high90.3Very high88 Ų8860.8 Ų60.841%0.41132%0.317SS..Hα-helixtrans-66.8-38.7179.6-70.9168135.700112.8L4 T5 L11 A12L4-E8 WeakPolarHBondContact CA-OE2 3.49Å; L4-E8 HydrophobicContact CB-CB 3.96Å; L4-E8 HydrophobicContact CD1-CB 4.48Å; L4-E8 HydrophobicContact CD2-CB 4.08Å; L4-E8 HydrophobicContact CG-CB 4.37Å; T5-E8 PolarHBondContact N-OE2 2.67Å; T5-E8 PolarHBondContact O-N 3.16Å; T5-E8 WeakPolarHBondContact OG1-CB 3.23Å; T5-E8 VanDerWaalsContact OG1-CG 3.23Å; T5-E8 WeakPolarHBondContact OG1-CG 3.32Å; T5-E8 PolarHBondContact OG1-N 2.7Å; T5-E8 PolarHBondContact OG1-OE2 2.95Å; E8-L11 PolarHBondContact O-N 3.18Å; E8-A12 WeakPolarHBondContact O-CB 3.26Å; E8-A12 PolarHBondContact O-N 2.96Å
9V94.3Very high90.7Very high2 Ų259 Ų591%0.01231%0.31CS..Hα-helixtrans-64.4-45.5173.81710000110.9L4 T5 L6 L11 A12 F13 L23 I71 Y180L4-V9 HydrophobicContact CB-CG2 3.75Å; L4-V9 HydrophobicContact CD1-CG2 4.32Å; T5-V9 WeakPolarHBondContact O-CG2 3.39Å; T5-V9 PolarHBondContact O-N 2.95Å; L6-V9 PolarHBondContact O-N 3.5Å; V9-L11 VanDerWaalsContact C-N 3.28Å; V9-L11 PolarHBondContact O-N 3.11Å; V9-A12 PolarHBondContact O-N 3.3Å; V9-A12 VanDerWaalsContact O-N 3.13Å; V9-F13 HydrophobicContact CG1-CD1 4.25Å; V9-F13 HydrophobicContact CG1-CD2 4.17Å; V9-F13 HydrophobicContact CG1-CE1 3.84Å; V9-F13 HydrophobicContact CG1-CE2 3.73Å; V9-F13 HydrophobicContact CG1-CG 4.44Å; V9-F13 HydrophobicContact CG1-CZ 3.56Å; V9-F13 WeakPolarHBondContact O-CG 3.41Å; V9-F13 PolarHBondContact O-N 3.22Å; V9-L23 HydrophobicContact CG1-CD2 3.59Å; V9-I71 HydrophobicContact CB-CD1 4.08Å; V9-I71 HydrophobicContact CG1-CD1 3.48Å; V9-I71 VanDerWaalsContact CG1-CD1 3.48Å; V9-Y180 HydrophobicContact CG2-CD1 4.21Å; V9-Y180 HydrophobicContact CG2-CE1 3.38Å
10S90.8Very high91Very high23 Ų2356.1 Ų56.116%0.16130%0.295CS..Hα-helixtrans-60.2-39.9178.3-62.30000111.7L6 K7 R14L6-S10 WeakPolarHBondContact O-CB 3.35Å; L6-S10 PolarHBondContact O-N 2.96Å; L6-S10 PolarHBondContact O-OG 3.01Å; K7-S10 PolarHBondContact O-N 3.28Å; S10-R14 WeakPolarHBondContact O-CG 3.5Å; S10-R14 PolarHBondContact O-N 3.28Å
11L92.3Very high91.4Very high79 Ų7953.6 Ų53.641%0.41428%0.282SS..Hα-helixtrans-65.1-45.9173.1-178.162.7000111.5K7 E8 V9 F13 R14 E15K7-L11 PolarHBondContact O-N 3.45Å; E8-L11 PolarHBondContact O-N 3.18Å; V9-L11 VanDerWaalsContact C-N 3.28Å; V9-L11 PolarHBondContact O-N 3.11Å; L11-F13 VanDerWaalsContact C-N 3.27Å; L11-F13 PolarHBondContact O-N 3.26Å; L11-R14 PolarHBondContact O-N 2.98Å; L11-R14 VanDerWaalsContact O-N 3.12Å; L11-E15 HydrophobicContact CD1-CG 4.21Å; L11-E15 WeakPolarHBondContact CD1-OE1 3.33Å; L11-E15 HydrophobicContact CG-CG 4.47Å; L11-E15 WeakPolarHBondContact O-CG 3.33Å; L11-E15 PolarHBondContact O-N 3.08Å
12A95.2Very high92.8Very high2 Ų251.2 Ų51.22%0.01727%0.269CS..Hα-helixtrans-62.2-33.4179.100000112.9E8 V9 G16 R17 I18E8-A12 WeakPolarHBondContact O-CB 3.26Å; E8-A12 PolarHBondContact O-N 2.96Å; V9-A12 PolarHBondContact O-N 3.3Å; V9-A12 VanDerWaalsContact O-N 3.13Å; A12-G16 PolarHBondContact O-N 2.9Å; A12-R17 HydrophobicContact CB-CB 4.16Å; A12-R17 PolarHBondContact O-N 3.13Å; A12-I18 HydrophobicContact CB-CG2 3.74Å
13F95.3Very high93.5Very high11 Ų1149.5 Ų49.55%0.04826%0.26CS..Hα-helixtrans-63-50.7170.6-73.4-11.6000111.7V9 L11 E15 G16 I18 P20 L23 L59 I71V9-F13 HydrophobicContact CG1-CD1 4.25Å; V9-F13 HydrophobicContact CG1-CD2 4.17Å; V9-F13 HydrophobicContact CG1-CE1 3.84Å; V9-F13 HydrophobicContact CG1-CE2 3.73Å; V9-F13 HydrophobicContact CG1-CG 4.44Å; V9-F13 HydrophobicContact CG1-CZ 3.56Å; V9-F13 WeakPolarHBondContact O-CG 3.41Å; V9-F13 PolarHBondContact O-N 3.22Å; L11-F13 VanDerWaalsContact C-N 3.27Å; L11-F13 PolarHBondContact O-N 3.26Å; F13-E15 VanDerWaalsContact C-N 3.27Å; F13-E15 PolarHBondContact O-N 3.12Å; F13-G16 PolarHBondContact O-N 2.87Å; F13-G16 VanDerWaalsContact O-N 3.08Å; F13-I18 HydrophobicContact CD1-CG2 3.78Å; F13-I18 VanDerWaalsContact CD1-O 3.29Å; F13-I18 WeakPolarHBondContact CD1-O 3.35Å; F13-I18 HydrophobicContact CE1-CG2 3.91Å; F13-P20 HydrophobicContact CD1-CG 4.4Å; F13-P20 HydrophobicContact CD2-CG 4.21Å; F13-P20 HydrophobicContact CE1-CG 4.18Å; F13-P20 HydrophobicContact CE2-CB 4.45Å; F13-P20 HydrophobicContact CE2-CG 4Å; F13-P20 HydrophobicContact CG-CG 4.4Å; F13-P20 HydrophobicContact CZ-CB 4.13Å; F13-P20 HydrophobicContact CZ-CG 3.97Å; F13-L23 HydrophobicContact CE1-CB 4.16Å; F13-L23 HydrophobicContact CE1-CD2 4.01Å; F13-L23 HydrophobicContact CZ-CB 4.25Å; F13-L23 HydrophobicContact CZ-CD2 3.58Å; F13-L59 HydrophobicContact CB-CD1 4.31Å; F13-L59 HydrophobicContact CB-CD2 3.79Å; F13-L59 HydrophobicContact CG-CD2 4.37Å; F13-I71 HydrophobicContact CE2-CD1 3.99Å
14R90.4Very high94.3Very high192 Ų19247 Ų4773%0.72523%0.234SC*.Hα-helixtrans-61.6-36.2-179.9-68.8175.7-1681734.2112.6S10 L11 G16S10-R14 WeakPolarHBondContact O-CG 3.5Å; S10-R14 PolarHBondContact O-N 3.28Å; L11-R14 PolarHBondContact O-N 2.98Å; L11-R14 VanDerWaalsContact O-N 3.12Å; R14-G16 VanDerWaalsContact C-N 3.28Å
15E93.8Very high94.8Very high110 Ų11051 Ų5151%0.51425%0.246SC..THydrogen-bonded Turntrans-83-2178.6-67.4175.116700113.4L11 F13 R17L11-E15 HydrophobicContact CD1-CG 4.21Å; L11-E15 WeakPolarHBondContact CD1-OE1 3.33Å; L11-E15 HydrophobicContact CG-CG 4.47Å; L11-E15 WeakPolarHBondContact O-CG 3.33Å; L11-E15 PolarHBondContact O-N 3.08Å; F13-E15 VanDerWaalsContact C-N 3.27Å; F13-E15 PolarHBondContact O-N 3.12Å; E15-R17 HydrophobicContact CB-CG 4.25Å; E15-R17 PolarHBondContact O-N 3.21Å; E15-R17 IonicContact OE2-CZ 3.76Å; E15-R17 IonicContact OE2-NE 3.76Å; E15-R17 PolarHBondContact OE2-NE 3.32Å; E15-R17 IonicContact OE2-NH2 3.05Å; E15-R17 PolarHBondContact OE2-NH2 2.87Å
16G92.9Very high95.1Very high64 Ų6451.9 Ų51.966%0.6625%0.247SC*.THydrogen-bonded Turntrans67.617.3-178.700000114.5A12 F13 R14 I18A12-G16 PolarHBondContact O-N 2.9Å; F13-G16 PolarHBondContact O-N 2.87Å; F13-G16 VanDerWaalsContact O-N 3.08Å; R14-G16 VanDerWaalsContact C-N 3.28Å; G16-I18 VanDerWaalsContact C-N 3.32Å
17R95.8Very high95.4Very high133 Ų13351.9 Ų51.950%0.50225%0.246SC..SBendtrans-71.5-26.9178-74.5-169.6-78.7133.1-7.6113.2A12 E15A12-R17 HydrophobicContact CB-CB 4.16Å; A12-R17 PolarHBondContact O-N 3.13Å; E15-R17 HydrophobicContact CB-CG 4.25Å; E15-R17 PolarHBondContact O-N 3.21Å; E15-R17 IonicContact OE2-CZ 3.76Å; E15-R17 IonicContact OE2-NE 3.76Å; E15-R17 PolarHBondContact OE2-NE 3.32Å; E15-R17 IonicContact OE2-NH2 3.05Å; E15-R17 PolarHBondContact OE2-NH2 2.87Å
18I95.9Very high95.9Very high7 Ų748 Ų484%0.03623%0.23CC..SBendtrans-151.9148.9173.8-172.6169.2000107.7M1 A12 F13 G16 E22 L23 K26M1-I18 HydrophobicContact SD-CB 4.22Å; M1-I18 HydrophobicContact SD-CD1 3.9Å; M1-I18 HydrophobicContact SD-CG1 4.48Å; A12-I18 HydrophobicContact CB-CG2 3.74Å; F13-I18 HydrophobicContact CD1-CG2 3.78Å; F13-I18 VanDerWaalsContact CD1-O 3.29Å; F13-I18 WeakPolarHBondContact CD1-O 3.35Å; F13-I18 HydrophobicContact CE1-CG2 3.91Å; G16-I18 VanDerWaalsContact C-N 3.32Å; I18-E22 HydrophobicContact CG1-CB 4.02Å; I18-E22 HydrophobicContact CG1-CG 4.31Å; I18-L23 HydrophobicContact CD1-CB 3.92Å; I18-L23 HydrophobicContact CD1-CD1 3.95Å; I18-L23 HydrophobicContact CG1-CB 4.36Å; I18-K26 HydrophobicContact CD1-CD 4.36Å
19S97.4Very high96.1Very high26 Ų2648 Ų4818%0.18223%0.232CC..  trans-101.8157.2174.188.80000112.7T21 E22 L23 E56S19-T21 PolarHBondContact O-N 3.45Å; S19-T21 PolarHBondContact OG-N 3.35Å; S19-E22 PolarHBondContact O-N 2.97Å; S19-E22 VanDerWaalsContact O-N 3.12Å; S19-E22 PolarHBondContact OG-N 2.88Å; S19-E22 VanDerWaalsContact OG-N 3.13Å; S19-L23 PolarHBondContact O-N 3.37Å; S19-E56 WeakPolarHBondContact CB-OE1 3.47Å; S19-E56 PolarHBondContact OG-OE1 3.35Å
20P98Very high96.2Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-53.7-39.9173.2-28.636.1000113F13 L23 C24 E56 L59F13-P20 HydrophobicContact CD1-CG 4.4Å; F13-P20 HydrophobicContact CD2-CG 4.21Å; F13-P20 HydrophobicContact CE1-CG 4.18Å; F13-P20 HydrophobicContact CE2-CB 4.45Å; F13-P20 HydrophobicContact CE2-CG 4Å; F13-P20 HydrophobicContact CG-CG 4.4Å; F13-P20 HydrophobicContact CZ-CB 4.13Å; F13-P20 HydrophobicContact CZ-CG 3.97Å; P20-L23 PolarHBondContact O-N 2.9Å; P20-C24 VanDerWaalsContact O-CB 3.31Å; P20-C24 WeakPolarHBondContact O-CB 3.48Å; P20-C24 PolarHBondContact O-N 2.79Å; P20-E56 HydrophobicContact CB-CB 4.4Å; P20-E56 HydrophobicContact CG-CB 4.27Å; P20-L59 HydrophobicContact CG-CD2 4.14Å
21T98.4Very high96.6Very high5 Ų549.6 Ų49.63%0.03124%0.236CC..Hα-helixtrans-65.8-43.3176.8-600000111.9S19 R25 R53 E56S19-T21 PolarHBondContact O-N 3.45Å; S19-T21 PolarHBondContact OG-N 3.35Å; T21-R25 WeakPolarHBondContact O-CG 3.29Å; T21-R25 PolarHBondContact O-N 3.19Å; T21-R25 VanDerWaalsContact O-N 3.07Å; T21-R53 HydrophobicContact CG2-CG 4.34Å; T21-R53 PolarHBondContact OG1-N 2.99Å; T21-E56 WeakPolarHBondContact CB-OE2 3.25Å; T21-E56 PolarHBondContact OG1-OE2 2.94Å
22E98.3Very high96.9Very high71 Ų7151 Ų5133%0.33224%0.238SC..Hα-helixtrans-63-44.8176.1-165.9-167.3157.400111.1I18 S19 R25 K26I18-E22 HydrophobicContact CG1-CB 4.02Å; I18-E22 HydrophobicContact CG1-CG 4.31Å; S19-E22 PolarHBondContact O-N 2.97Å; S19-E22 VanDerWaalsContact O-N 3.12Å; S19-E22 PolarHBondContact OG-N 2.88Å; S19-E22 VanDerWaalsContact OG-N 3.13Å; E22-R25 PolarHBondContact O-N 3.27Å; E22-K26 WeakPolarHBondContact O-CG 3.3Å; E22-K26 PolarHBondContact O-N 3.29Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.56Å; E22-K26 PolarHBondContact OE1-NZ 3.16Å
23L98.4Very high96.9Very high1 Ų158 Ų581%0.00527%0.269CS..Hα-helixtrans-62.4-46.8179.2-177.163.8000111.8L2 V9 F13 I18 S19 P20 R25 K26 C27 P72 Y180L2-L23 HydrophobicContact CD2-CD1 3.88Å; V9-L23 HydrophobicContact CG1-CD2 3.59Å; F13-L23 HydrophobicContact CE1-CB 4.16Å; F13-L23 HydrophobicContact CE1-CD2 4.01Å; F13-L23 HydrophobicContact CZ-CB 4.25Å; F13-L23 HydrophobicContact CZ-CD2 3.58Å; I18-L23 HydrophobicContact CD1-CB 3.92Å; I18-L23 HydrophobicContact CD1-CD1 3.95Å; I18-L23 HydrophobicContact CG1-CB 4.36Å; S19-L23 PolarHBondContact O-N 3.37Å; P20-L23 PolarHBondContact O-N 2.9Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.08Å; L23-K26 PolarHBondContact O-N 3.24Å; L23-K26 VanDerWaalsContact O-N 3.15Å; L23-C27 PolarHBondContact O-N 3.01Å; L23-P72 HydrophobicContact CD2-CG 4.05Å; L23-P72 HydrophobicContact CG-CG 4.05Å; L23-Y180 HydrophobicContact CD1-CE2 3.82Å; L23-Y180 VanDerWaalsContact CD1-OH 3.3Å; L23-Y180 WeakPolarHBondContact CD1-OH 3.47Å; L23-Y180 HydrophobicContact CD2-CE2 3.87Å; L23-Y180 HydrophobicContact CG-CE2 4.16Å
24C98.6Very high97Very high0 Ų058.2 Ų58.20%027%0.271CS..Hα-helixtrans-55.8-46.6175.61780000111.5P20 K26 C27 L28 A52 V114P20-C24 VanDerWaalsContact O-CB 3.31Å; P20-C24 WeakPolarHBondContact O-CB 3.48Å; P20-C24 PolarHBondContact O-N 2.79Å; C24-K26 PolarHBondContact O-N 3.12Å; C24-C27 PolarHBondContact O-N 3.19Å; C24-L28 WeakPolarHBondContact O-CG 3.44Å; C24-L28 PolarHBondContact O-N 3.13Å; C24-A52 HydrophobicContact CB-CB 3.58Å; C24-V114 HydrophobicContact CB-CG1 4.49Å
25R98.6Very high97.2Very high124 Ų12456.6 Ų56.647%0.46827%0.272SS..Hα-helixtrans-60.9-42.2175.8-74.9174.4178155.8-2.9112.5T21 E22 L23 C27 L28 N29 L49T21-R25 WeakPolarHBondContact O-CG 3.29Å; T21-R25 PolarHBondContact O-N 3.19Å; T21-R25 VanDerWaalsContact O-N 3.07Å; E22-R25 PolarHBondContact O-N 3.27Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.08Å; R25-C27 VanDerWaalsContact C-N 3.34Å; R25-C27 PolarHBondContact O-N 3.24Å; R25-L28 PolarHBondContact O-N 3.46Å; R25-N29 WeakPolarHBondContact O-CB 3.44Å; R25-N29 VanDerWaalsContact O-CG 3.24Å; R25-N29 PolarHBondContact O-N 3.39Å; R25-N29 PolarHBondContact O-ND2 3.49Å; R25-L49 HydrophobicContact CG-CD2 3.68Å
26K98.3Very high97.3Very high65 Ų6556.1 Ų56.128%0.28327%0.265SS..Hα-helixtrans-61.7-43176.4-69.7-172.4-156.7-70.30111.2L2 I18 E22 L23 C24 N29 R30L2-K26 HydrophobicContact CD1-CB 4.43Å; L2-K26 HydrophobicContact CD2-CB 3.83Å; L2-K26 HydrophobicContact CG-CB 4.33Å; I18-K26 HydrophobicContact CD1-CD 4.36Å; E22-K26 WeakPolarHBondContact O-CG 3.3Å; E22-K26 PolarHBondContact O-N 3.29Å; E22-K26 WeakPolarHBondContact OE1-CE 3.47Å; E22-K26 IonicContact OE1-NZ 3.56Å; E22-K26 PolarHBondContact OE1-NZ 3.16Å; L23-K26 PolarHBondContact O-N 3.24Å; L23-K26 VanDerWaalsContact O-N 3.15Å; C24-K26 PolarHBondContact O-N 3.12Å; K26-N29 PolarHBondContact O-N 3.46Å; K26-R30 WeakPolarHBondContact O-CB 3.39Å; K26-R30 PolarHBondContact O-N 2.94Å
27C98.3Very high97.5Very high0 Ų053.3 Ų53.30%024%0.235CC..Hα-helixtrans-64.2-45.8175.5-71.50000112.1L23 C24 R25 N29 R30 I31 M116 T178L23-C27 PolarHBondContact O-N 3.01Å; C24-C27 PolarHBondContact O-N 3.19Å; R25-C27 VanDerWaalsContact C-N 3.34Å; R25-C27 PolarHBondContact O-N 3.24Å; C27-N29 PolarHBondContact O-N 3.3Å; C27-R30 WeakPolarHBondContact O-CB 3.45Å; C27-R30 PolarHBondContact O-N 3.19Å; C27-R30 VanDerWaalsContact O-N 3.11Å; C27-I31 WeakPolarHBondContact O-CG1 3.45Å; C27-I31 PolarHBondContact O-N 3.02Å; C27-M116 HydrophobicContact CB-CE 3.54Å; C27-M116 HydrophobicContact CB-SD 4.34Å; C27-T178 WeakPolarHBondContact CB-O 3.36Å
28L98.7Very high97.7Very high5 Ų549.3 Ų49.33%0.02622%0.223CC..Hα-helixtrans-60-42.9175.9-73.2166.2000112.2C24 R25 R30 I31 K32 V43 E45 L49 M116C24-L28 WeakPolarHBondContact O-CG 3.44Å; C24-L28 PolarHBondContact O-N 3.13Å; R25-L28 PolarHBondContact O-N 3.46Å; L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 2.94Å; L28-I31 HydrophobicContact CD2-CD1 4.5Å; L28-I31 WeakPolarHBondContact O-CB 3.34Å; L28-I31 PolarHBondContact O-N 3.46Å; L28-K32 PolarHBondContact O-N 2.64Å; L28-K32 VanDerWaalsContact O-N 3.11Å; L28-V43 HydrophobicContact CD2-CG1 4Å; L28-E45 HydrophobicContact CD1-CG 3.95Å; L28-E45 HydrophobicContact CD2-CB 4.01Å; L28-E45 HydrophobicContact CD2-CG 4.14Å; L28-L49 HydrophobicContact CD1-CD1 4.26Å; L28-L49 HydrophobicContact CD1-CD2 3.94Å; L28-L49 HydrophobicContact CD1-CG 3.79Å; L28-M116 HydrophobicContact CB-CE 4.45Å; L28-M116 HydrophobicContact CD2-CE 3.66Å; L28-M116 HydrophobicContact CG-CE 3.62Å
29N98.3Very high97.8Very high87 Ų8749.2 Ų49.247%0.46522%0.224SC..Hα-helixtrans-63.9-37.1175.1-73.6-18000111.7R25 K26 C27 K32 K33R25-N29 WeakPolarHBondContact O-CB 3.44Å; R25-N29 VanDerWaalsContact O-CG 3.24Å; R25-N29 PolarHBondContact O-N 3.39Å; R25-N29 PolarHBondContact O-ND2 3.49Å; K26-N29 PolarHBondContact O-N 3.46Å; C27-N29 PolarHBondContact O-N 3.3Å; N29-K32 PolarHBondContact O-N 2.73Å; N29-K33 WeakPolarHBondContact O-CG 3.46Å; N29-K33 PolarHBondContact O-N 3.41Å; N29-K33 VanDerWaalsContact O-N 3.1Å
30R97.1Very high97.9Very high43 Ų4349.1 Ų49.116%0.16222%0.22CC..Hα-helixtrans-64.6-43.4174.2-17364.6172.9178.5-1111.2L2 K26 C27 L28 K32 K33 T34 S176 T178 D499L2-R30 HydrophobicContact CD1-CB 4.15Å; L2-R30 HydrophobicContact CD1-CG 4.37Å; K26-R30 WeakPolarHBondContact O-CB 3.39Å; K26-R30 PolarHBondContact O-N 2.94Å; C27-R30 WeakPolarHBondContact O-CB 3.45Å; C27-R30 PolarHBondContact O-N 3.19Å; C27-R30 VanDerWaalsContact O-N 3.11Å; L28-R30 VanDerWaalsContact C-N 3.3Å; L28-R30 PolarHBondContact O-N 2.94Å; R30-K32 VanDerWaalsContact C-N 3.28Å; R30-K32 PolarHBondContact O-N 3Å; R30-K33 PolarHBondContact O-N 2.8Å; R30-K33 VanDerWaalsContact O-N 3.08Å; R30-T34 HydrophobicContact CG-CG2 4.36Å; R30-T34 PolarHBondContact O-N 2.86Å; R30-T34 PolarHBondContact O-OG1 3.09Å; R30-S176 WeakPolarHBondContact CG-O 3.4Å; R30-S176 PolarHBondContact NE-O 2.79Å; R30-T178 HydrophobicContact CB-CG2 4.15Å; R30-T178 HydrophobicContact CG-CG2 3.72Å; R30-D499 IonicContact CZ-OD2 3.58Å; R30-D499 IonicContact NH1-OD2 2.7Å; R30-D499 PolarHBondContact NH1-OD2 3.11Å; R30-D499 IonicContact NH2-OD1 3.48Å; R30-D499 PolarHBondContact NH2-OD1 2.67Å; R30-D499 IonicContact NH2-OD2 2.73Å; R30-D499 PolarHBondContact NH2-OD2 3.17Å
31I98.2Very high97.9Very high16 Ų1650.3 Ų50.38%0.08223%0.226CC..Hα-helixtrans-54.2-45.8174.6-67.9171000110.7C27 L28 K33 T34 Q35 Y40 V43 M116 T178C27-I31 WeakPolarHBondContact O-CG1 3.45Å; C27-I31 PolarHBondContact O-N 3.02Å; L28-I31 HydrophobicContact CD2-CD1 4.5Å; L28-I31 WeakPolarHBondContact O-CB 3.34Å; L28-I31 PolarHBondContact O-N 3.46Å; I31-K33 PolarHBondContact O-N 3.4Å; I31-T34 CarbonylContact O-C 3.57Å; I31-T34 PolarHBondContact O-N 3.37Å; I31-Q35 PolarHBondContact O-N 3.15Å; I31-Q35 VanDerWaalsContact O-N 3.11Å; I31-Y40 HydrophobicContact CD1-CD2 4.46Å; I31-Y40 HydrophobicContact CD1-CE1 4.39Å; I31-Y40 HydrophobicContact CD1-CE2 3.91Å; I31-Y40 HydrophobicContact CG1-CD2 4.37Å; I31-Y40 HydrophobicContact CG1-CE2 3.79Å; I31-Y40 HydrophobicContact CG2-CD2 4.19Å; I31-Y40 HydrophobicContact CG2-CE2 4.44Å; I31-V43 HydrophobicContact CD1-CG1 4.33Å; I31-V43 HydrophobicContact CG2-CG1 4.42Å; I31-V43 HydrophobicContact CG2-CG2 3.81Å; I31-M116 HydrophobicContact CD1-CB 4.35Å; I31-M116 HydrophobicContact CD1-CE 3.76Å; I31-T178 HydrophobicContact CB-CG2 4.42Å; I31-T178 HydrophobicContact CG1-CG2 3.67Å
32K98Very high97.9Very high108 Ų10851.1 Ų51.147%0.4723%0.231SC..Hα-helixtrans-60.7-44.4177.1-68.3174.1-176.3173.80111.8L28 N29 R30 T34 E45L28-K32 PolarHBondContact O-N 2.64Å; L28-K32 VanDerWaalsContact O-N 3.11Å; N29-K32 PolarHBondContact O-N 2.73Å; R30-K32 VanDerWaalsContact C-N 3.28Å; R30-K32 PolarHBondContact O-N 3Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.93Å; K32-E45 VanDerWaalsContact CE-OE2 3.26Å; K32-E45 WeakPolarHBondContact CE-OE2 3.34Å; K32-E45 VanDerWaalsContact NZ-CD 3.32Å; K32-E45 IonicContact NZ-OE1 3.04Å; K32-E45 PolarHBondContact NZ-OE1 3.45Å; K32-E45 IonicContact NZ-OE2 3.04Å; K32-E45 PolarHBondContact NZ-OE2 2.89Å
33K96.6Very high97.9Very high150 Ų15050.7 Ų50.765%0.65223%0.233SC*.Hα-helixtrans-67.6-30.3177.6-70.2-176.2177.1-167.80113.5N29 R30 I31N29-K33 WeakPolarHBondContact O-CG 3.46Å; N29-K33 PolarHBondContact O-N 3.41Å; N29-K33 VanDerWaalsContact O-N 3.1Å; R30-K33 PolarHBondContact O-N 2.8Å; R30-K33 VanDerWaalsContact O-N 3.08Å; I31-K33 PolarHBondContact O-N 3.4Å
34T96.1Very high97.9Very high15 Ų1551.2 Ų51.29%0.09224%0.236CC..THydrogen-bonded Turntrans-102.820.6-177.763.60000113R30 I31 K32 R36 L37R30-T34 HydrophobicContact CG-CG2 4.36Å; R30-T34 PolarHBondContact O-N 2.86Å; R30-T34 PolarHBondContact O-OG1 3.09Å; I31-T34 CarbonylContact O-C 3.57Å; I31-T34 PolarHBondContact O-N 3.37Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.93Å; T34-R36 PolarHBondContact O-N 3.5Å; T34-R36 VanDerWaalsContact O-N 3.09Å; T34-L37 HydrophobicContact CG2-CD1 4.38Å; T34-L37 WeakPolarHBondContact O-CB 3.18Å; T34-L37 WeakPolarHBondContact O-CG 3.46Å; T34-L37 PolarHBondContact O-N 2.75Å
35Q96.3Very high97.9Very high159 Ų15954.5 Ų54.574%0.74325%0.251SS*.G310 helixtrans-55.4-31.9-177.3-173.1178.4-0.900112.8I31 L37 N38I31-Q35 PolarHBondContact O-N 3.15Å; I31-Q35 VanDerWaalsContact O-N 3.11Å; Q35-L37 PolarHBondContact O-N 2.98Å; Q35-L37 VanDerWaalsContact O-N 3.09Å; Q35-N38 PolarHBondContact O-N 3.48Å
36R95.7Very high97.9Very high100 Ų10055.1 Ų55.138%0.37726%0.264SS..G310 helixtrans-55.5-23.8174.564.9178.4162.1-161.4-14.8114.8T34 N38 R139 E501T34-R36 PolarHBondContact O-N 3.5Å; T34-R36 VanDerWaalsContact O-N 3.09Å; R36-N38 PolarHBondContact O-N 2.86Å; R36-R139 WeakPolarHBondContact O-CD 3.45Å; R36-E501 IonicContact CZ-OE1 3.58Å; R36-E501 IonicContact NH2-OE1 2.82Å; R36-E501 PolarHBondContact NH2-OE1 3.29Å
37L97.3Very high97.9Very high5 Ų556 Ų563%0.02627%0.268CS..G310 helixtrans-72.1-21.2177.4-59-178.5000112.5T34 Q35 A39 V138 R139 P141 Y144T34-L37 HydrophobicContact CG2-CD1 4.38Å; T34-L37 WeakPolarHBondContact O-CB 3.18Å; T34-L37 WeakPolarHBondContact O-CG 3.46Å; T34-L37 PolarHBondContact O-N 2.75Å; Q35-L37 PolarHBondContact O-N 2.98Å; Q35-L37 VanDerWaalsContact O-N 3.09Å; L37-A39 PolarHBondContact O-N 2.97Å; L37-V138 WeakPolarHBondContact O-CA 3.02Å; L37-V138 WeakPolarHBondContact O-CG1 3.46Å; L37-R139 HydrophobicContact CD2-CB 4.35Å; L37-R139 PolarHBondContact O-N 2.98Å; L37-P141 HydrophobicContact CD1-CB 4.33Å; L37-P141 HydrophobicContact CD1-CG 3.93Å; L37-Y144 HydrophobicContact CD2-CD2 3.82Å; L37-Y144 HydrophobicContact CD2-CE2 3.63Å
38N98.6Very high97.9Very high48 Ų4856 Ų5626%0.25727%0.268SS..  trans53.836.3-176.4-162.133.5000113.2Q35 R36 Y40 N120 F135 G136 P137Q35-N38 PolarHBondContact O-N 3.48Å; R36-N38 PolarHBondContact O-N 2.86Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 2.88Å; N38-N120 PolarHBondContact ND2-ND2 3.41Å; N38-N120 VanDerWaalsContact ND2-ND2 3.14Å; N38-N120 VanDerWaalsContact O-CB 3.29Å; N38-N120 WeakPolarHBondContact O-CB 3.39Å; N38-N120 PolarHBondContact O-ND2 3.25Å; N38-F135 PolarHBondContact ND2-O 3.29Å; N38-G136 PolarHBondContact ND2-O 3.04Å; N38-P137 WeakPolarHBondContact CB-O 3.32Å; N38-P137 PolarHBondContact ND2-O 3.29Å
39A98.7Very high97.9Very high6 Ų656.8 Ų56.85%0.0527%0.272CS..  trans-70.7-22-17600000113.6L37 T119 N120 G169 A172L37-A39 PolarHBondContact O-N 2.97Å; A39-T119 CarbonylContact O-C 3.49Å; A39-T119 WeakPolarHBondContact O-CA 3.42Å; A39-T119 WeakPolarHBondContact O-CB 3.43Å; A39-N120 PolarHBondContact O-N 3.3Å; A39-G169 WeakPolarHBondContact O-CA 3.29Å; A39-A172 HydrophobicContact CB-CB 4.01Å
40Y98.9Very high98Very high24 Ų2458.4 Ų58.49%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-121.7132.8-176.8-63.8-95.3000111.2I31 N38 V43 A74 M116 K118 T119 A173 T178I31-Y40 HydrophobicContact CD1-CD2 4.46Å; I31-Y40 HydrophobicContact CD1-CE1 4.39Å; I31-Y40 HydrophobicContact CD1-CE2 3.91Å; I31-Y40 HydrophobicContact CG1-CD2 4.37Å; I31-Y40 HydrophobicContact CG1-CE2 3.79Å; I31-Y40 HydrophobicContact CG2-CD2 4.19Å; I31-Y40 HydrophobicContact CG2-CE2 4.44Å; N38-Y40 VanDerWaalsContact C-N 3.29Å; N38-Y40 PolarHBondContact O-N 2.88Å; Y40-V43 HydrophobicContact CG-CG2 4.17Å; Y40-A74 HydrophobicContact CE1-CB 3.82Å; Y40-M116 HydrophobicContact CE1-CB 4.35Å; Y40-K118 CarbonylContact C-O 3.32Å; Y40-K118 WeakPolarHBondContact CA-O 3.44Å; Y40-T119 HydrophobicContact CD1-CG2 3.97Å; Y40-T119 HydrophobicContact CE1-CG2 3.88Å; Y40-A173 HydrophobicContact CE2-CB 3.99Å; Y40-A173 WeakPolarHBondContact OH-CB 3.31Å; Y40-T178 WeakPolarHBondContact CE2-OG1 3.49Å; Y40-T178 PolarHBondContact OH-OG1 2.74Å
41I98.8Very high98Very high24 Ų2457.3 Ų57.312%0.12327%0.272CS..EExtended strand (participates in β ladder)trans-80.8-42.1167.5-67.6173000109.9D77 T87 A89 K118 N120 F135I41-D77 HydrophobicContact CD1-CB 3.92Å; I41-T87 HydrophobicContact CG2-CG2 4.47Å; I41-A89 HydrophobicContact CD1-CB 3.87Å; I41-K118 PolarHBondContact N-O 2.87Å; I41-N120 HydrophobicContact CD1-CB 4.31Å; I41-N120 HydrophobicContact CG1-CB 3.8Å; I41-F135 HydrophobicContact CD1-CB 4.43Å; I41-F135 HydrophobicContact CD1-CD2 3.87Å; I41-F135 HydrophobicContact CD1-CE2 4.36Å; I41-F135 HydrophobicContact CD1-CG 4.17Å; I41-F135 HydrophobicContact CG1-CB 4.1Å; I41-F135 HydrophobicContact CG1-CD2 4.3Å; I41-F135 HydrophobicContact CG1-CG 4.08Å; I41-F135 HydrophobicContact CG2-CD1 3.83Å; I41-F135 HydrophobicContact CG2-CD2 4.35Å; I41-F135 HydrophobicContact CG2-CE1 3.83Å; I41-F135 HydrophobicContact CG2-CE2 4.35Å; I41-F135 HydrophobicContact CG2-CG 4.09Å; I41-F135 HydrophobicContact CG2-CZ 4.09Å
42T98.7Very high98.1Very high23 Ų2356.6 Ų56.614%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-133.6120.6179.5-630000109.3T44 I84 R85 G117 K118T42-T44 HydrophobicContact CG2-CG2 4.42Å; T42-I84 HydrophobicContact CG2-CG2 4.38Å; T42-R85 PolarHBondContact OG1-NH2 3.35Å; T42-G117 CarbonylContact O-C 3.58Å; T42-G117 WeakPolarHBondContact O-CA 3.36Å; T42-K118 PolarHBondContact N-O 2.81Å; T42-K118 PolarHBondContact O-N 3.28Å
43V98.8Very high98.1Very high61 Ų6157.9 Ų57.937%0.3727%0.27SS..EExtended strand (participates in β ladder)trans-95.1133.4171.8-178.50000108.5L28 I31 Y40 E45L28-V43 HydrophobicContact CD2-CG1 4Å; I31-V43 HydrophobicContact CD1-CG1 4.33Å; I31-V43 HydrophobicContact CG2-CG1 4.42Å; I31-V43 HydrophobicContact CG2-CG2 3.81Å; Y40-V43 HydrophobicContact CG-CG2 4.17Å; V43-E45 PolarHBondContact O-N 2.57Å
44T98.4Very high98.2Very high12 Ų1255.1 Ų55.17%0.07426%0.259CS..  trans-104.250.9-173.249.40000111.3T42 D46 F47 A48 I84 L115 M116 G117T42-T44 HydrophobicContact CG2-CG2 4.42Å; T44-D46 PolarHBondContact O-N 2.62Å; T44-F47 PolarHBondContact O-N 3.12Å; T44-A48 VanDerWaalsContact O-CB 3.27Å; T44-A48 WeakPolarHBondContact O-CB 3.21Å; T44-A48 PolarHBondContact O-N 2.7Å; T44-I84 HydrophobicContact CG2-CD1 4Å; T44-I84 HydrophobicContact CG2-CG1 4.46Å; T44-I84 HydrophobicContact CG2-CG2 3.87Å; T44-L115 PolarHBondContact OG1-O 3.15Å; T44-M116 PolarHBondContact N-O 3.33Å; T44-M116 PolarHBondContact OG1-O 3.03Å; T44-M116 VanDerWaalsContact OG1-O 3.11Å; T44-G117 PolarHBondContact OG1-N 3.13Å
45E98.5Very high98.3Very high69 Ų6954.5 Ų54.532%0.32226%0.256SS..Hα-helixtrans-51.4-54.9-169.1178.1159-17200113.8L28 K32 V43 F47 A48 L49L28-E45 HydrophobicContact CD1-CG 3.95Å; L28-E45 HydrophobicContact CD2-CB 4.01Å; L28-E45 HydrophobicContact CD2-CG 4.14Å; K32-E45 VanDerWaalsContact CE-OE2 3.26Å; K32-E45 WeakPolarHBondContact CE-OE2 3.34Å; K32-E45 VanDerWaalsContact NZ-CD 3.32Å; K32-E45 IonicContact NZ-OE1 3.04Å; K32-E45 PolarHBondContact NZ-OE1 3.45Å; K32-E45 IonicContact NZ-OE2 3.04Å; K32-E45 PolarHBondContact NZ-OE2 2.89Å; V43-E45 PolarHBondContact O-N 2.57Å; E45-F47 PolarHBondContact O-N 3.27Å; E45-A48 PolarHBondContact O-N 3.33Å; E45-L49 HydrophobicContact CG-CD1 4.24Å; E45-L49 WeakPolarHBondContact O-CG 3.4Å; E45-L49 PolarHBondContact O-N 3.43Å
46D98.3Very high98.4Very high137 Ų13749.5 Ų49.573%0.73323%0.232SC*.Hα-helixtrans-65.7-39.7-178.6-68.4-32.1000112.6T44 K50T44-D46 PolarHBondContact O-N 2.62Å; D46-K50 WeakPolarHBondContact O-CB 3.41Å; D46-K50 PolarHBondContact O-N 3.32Å
47F98.3Very high98.5Very high83 Ų8346.9 Ų46.936%0.36423%0.232SC..Hα-helixtrans-66.4-44.6178.2-175.5-103.8000111.1T44 E45 K50 Q51 I84 L115T44-F47 PolarHBondContact O-N 3.12Å; E45-F47 PolarHBondContact O-N 3.27Å; F47-K50 WeakPolarHBondContact O-CB 3.45Å; F47-K50 PolarHBondContact O-N 2.65Å; F47-Q51 HydrophobicContact CD1-CG 4.4Å; F47-Q51 HydrophobicContact CE1-CG 4.14Å; F47-Q51 VanDerWaalsContact CE1-NE2 3.25Å; F47-Q51 VanDerWaalsContact CE1-OE1 3.31Å; F47-Q51 HydrophobicContact CZ-CG 4.28Å; F47-Q51 WeakPolarHBondContact O-CG 3.23Å; F47-Q51 PolarHBondContact O-N 3.15Å; F47-I84 HydrophobicContact CD1-CD1 4.26Å; F47-I84 HydrophobicContact CE1-CD1 4.3Å; F47-L115 HydrophobicContact CD1-CB 4.24Å; F47-L115 HydrophobicContact CD1-CD2 4.42Å; F47-L115 HydrophobicContact CE1-CB 4.06Å; F47-L115 HydrophobicContact CE1-CD2 4.14Å
48A98.8Very high98.5Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-59.8-48.5177.100000111.1T44 E45 K50 Q51 A52 V114 L115 M116T44-A48 VanDerWaalsContact O-CB 3.27Å; T44-A48 WeakPolarHBondContact O-CB 3.21Å; T44-A48 PolarHBondContact O-N 2.7Å; E45-A48 PolarHBondContact O-N 3.33Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3.17Å; A48-Q51 PolarHBondContact O-N 2.8Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.05Å; A48-V114 HydrophobicContact CB-CG1 3.86Å; A48-V114 VanDerWaalsContact O-CG1 3.3Å; A48-V114 WeakPolarHBondContact O-CG1 3.46Å; A48-L115 VanDerWaalsContact CB-O 3.3Å; A48-L115 WeakPolarHBondContact CB-O 3.46Å; A48-M116 HydrophobicContact CB-SD 4.26Å
49L98.8Very high98.4Very high22 Ų2248.3 Ų48.312%0.11524%0.237CC..Hα-helixtrans-63-38.1178-73.5172.4000112.4R25 L28 E45 A52 R53R25-L49 HydrophobicContact CG-CD2 3.68Å; L28-L49 HydrophobicContact CD1-CD1 4.26Å; L28-L49 HydrophobicContact CD1-CD2 3.94Å; L28-L49 HydrophobicContact CD1-CG 3.79Å; E45-L49 HydrophobicContact CG-CD1 4.24Å; E45-L49 WeakPolarHBondContact O-CG 3.4Å; E45-L49 PolarHBondContact O-N 3.43Å; L49-A52 PolarHBondContact O-N 2.97Å; L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 2.77Å
50K98.8Very high98.2Very high122 Ų12255.1 Ų55.153%0.5327%0.271SS..Hα-helixtrans-62.2-47.8174.4-178.5-179.1177.3-178.60111.1D46 F47 A48 R53 Q54D46-K50 WeakPolarHBondContact O-CB 3.41Å; D46-K50 PolarHBondContact O-N 3.32Å; F47-K50 WeakPolarHBondContact O-CB 3.45Å; F47-K50 PolarHBondContact O-N 2.65Å; A48-K50 VanDerWaalsContact C-N 3.32Å; A48-K50 PolarHBondContact O-N 3.17Å; K50-R53 PolarHBondContact O-N 2.95Å; K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 2.91Å; K50-Q54 PolarHBondContact O-N 3.26Å; K50-Q54 VanDerWaalsContact O-N 3.13Å
51Q98.7Very high98.1Very high20 Ų2060.5 Ų60.59%0.09330%0.297CS..Hα-helixtrans-63.1-41.1177.9-69.8-177.3-49.500112.2F47 A48 Q54 S55 V114F47-Q51 HydrophobicContact CD1-CG 4.4Å; F47-Q51 HydrophobicContact CE1-CG 4.14Å; F47-Q51 VanDerWaalsContact CE1-NE2 3.25Å; F47-Q51 VanDerWaalsContact CE1-OE1 3.31Å; F47-Q51 HydrophobicContact CZ-CG 4.28Å; F47-Q51 WeakPolarHBondContact O-CG 3.23Å; F47-Q51 PolarHBondContact O-N 3.15Å; A48-Q51 PolarHBondContact O-N 2.8Å; Q51-Q54 WeakPolarHBondContact O-CB 3.2Å; Q51-Q54 PolarHBondContact O-N 2.85Å; Q51-S55 PolarHBondContact O-N 3.26Å; Q51-V114 HydrophobicContact CB-CG1 4.33Å; Q51-V114 HydrophobicContact CB-CG2 4.14Å
52A98.8Very high97.9Very high0 Ų062.2 Ų62.20%032%0.321CS..Hα-helixtrans-63.2-43.4178.700000112.1C24 A48 L49 Q54 S55 E56 V114C24-A52 HydrophobicContact CB-CB 3.58Å; A48-A52 WeakPolarHBondContact O-CB 3.49Å; A48-A52 PolarHBondContact O-N 3.05Å; L49-A52 PolarHBondContact O-N 2.97Å; A52-Q54 VanDerWaalsContact C-N 3.32Å; A52-Q54 PolarHBondContact O-N 3.42Å; A52-S55 WeakPolarHBondContact O-CB 3.3Å; A52-S55 PolarHBondContact O-N 3.25Å; A52-E56 WeakPolarHBondContact O-CB 3.18Å; A52-E56 PolarHBondContact O-N 2.92Å; A52-V114 HydrophobicContact CB-CG1 4.39Å; A52-V114 HydrophobicContact CB-CG2 4.13Å
53R98.8Very high97.7Very high135 Ų13565.9 Ų65.951%0.50934%0.338SS..Hα-helixtrans-61.8-39.1173.8-71.2173.1-170.7144.71.2112.4T21 L49 K50 S55 E56 A57T21-R53 HydrophobicContact CG2-CG 4.34Å; T21-R53 PolarHBondContact OG1-N 2.99Å; L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 2.77Å; K50-R53 PolarHBondContact O-N 2.95Å; R53-S55 VanDerWaalsContact C-N 3.34Å; R53-E56 PolarHBondContact O-N 3.07Å; R53-A57 WeakPolarHBondContact O-CB 3.25Å; R53-A57 PolarHBondContact O-N 3.35Å
54Q98.6Very high97.5Very high92 Ų9266.2 Ų66.243%0.4334%0.342SS..Hα-helixtrans-66.3-37.7176-69.6173-15.800111.7K50 Q51 A52 R58K50-Q54 VanDerWaalsContact O-CG 3.31Å; K50-Q54 WeakPolarHBondContact O-CG 2.91Å; K50-Q54 PolarHBondContact O-N 3.26Å; K50-Q54 VanDerWaalsContact O-N 3.13Å; Q51-Q54 WeakPolarHBondContact O-CB 3.2Å; Q51-Q54 PolarHBondContact O-N 2.85Å; A52-Q54 VanDerWaalsContact C-N 3.32Å; A52-Q54 PolarHBondContact O-N 3.42Å; Q54-R58 WeakPolarHBondContact O-CG 3.33Å; Q54-R58 PolarHBondContact O-N 3.05Å; Q54-R58 PolarHBondContact O-NH1 3.28Å; Q54-R58 VanDerWaalsContact O-NH1 3.15Å
55S98.4Very high97.4Very high2 Ų270.6 Ų70.61%0.01436%0.36CS..Hα-helixtrans-65.4-47.1173.8-178.50000111.9Q51 A52 R53 A57 R58 L59 D69 G70Q51-S55 PolarHBondContact O-N 3.26Å; A52-S55 WeakPolarHBondContact O-CB 3.3Å; A52-S55 PolarHBondContact O-N 3.25Å; R53-S55 VanDerWaalsContact C-N 3.34Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.45Å; S55-R58 VanDerWaalsContact CA-NH2 3.31Å; S55-R58 WeakPolarHBondContact O-CB 3.44Å; S55-R58 PolarHBondContact O-N 3.23Å; S55-R58 VanDerWaalsContact O-N 3.11Å; S55-L59 WeakPolarHBondContact O-CB 2.97Å; S55-L59 PolarHBondContact O-N 3.24Å; S55-D69 WeakPolarHBondContact CB-OD1 3.35Å; S55-D69 PolarHBondContact OG-OD1 3.49Å; S55-G70 WeakPolarHBondContact OG-CA 3.34Å; S55-G70 PolarHBondContact OG-N 3.34Å
56E98.2Very high97Very high55 Ų5568.5 Ų68.526%0.25736%0.357SS..Hα-helixtrans-58.3-42.7176.1-176.6173.4-136.300111.9S19 P20 T21 A52 R53 R58 L59 L60S19-E56 WeakPolarHBondContact CB-OE1 3.47Å; S19-E56 PolarHBondContact OG-OE1 3.35Å; P20-E56 HydrophobicContact CB-CB 4.4Å; P20-E56 HydrophobicContact CG-CB 4.27Å; T21-E56 WeakPolarHBondContact CB-OE2 3.25Å; T21-E56 PolarHBondContact OG1-OE2 2.94Å; A52-E56 WeakPolarHBondContact O-CB 3.18Å; A52-E56 PolarHBondContact O-N 2.92Å; R53-E56 PolarHBondContact O-N 3.07Å; E56-R58 PolarHBondContact O-N 2.94Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.9Å; E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 2.77Å
57A98.1Very high96.7Very high45 Ų4565.1 Ų65.137%0.37234%0.343SS..Hα-helixtrans-61.4-41.8174.700000112.8R53 S55 Q61R53-A57 WeakPolarHBondContact O-CB 3.25Å; R53-A57 PolarHBondContact O-N 3.35Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.45Å; A57-Q61 WeakPolarHBondContact O-CG 3.42Å; A57-Q61 PolarHBondContact O-N 2.97Å
58R97.4Very high96.6Very high40 Ų4061.2 Ų61.215%0.15133%0.325CS..Hα-helixtrans-64.9-41.6175-75.4-172.9-62.3-84.95.2112.1Q54 S55 E56 Q61 G62 I63 D69Q54-R58 WeakPolarHBondContact O-CG 3.33Å; Q54-R58 PolarHBondContact O-N 3.05Å; Q54-R58 PolarHBondContact O-NH1 3.28Å; Q54-R58 VanDerWaalsContact O-NH1 3.15Å; S55-R58 VanDerWaalsContact CA-NH2 3.31Å; S55-R58 WeakPolarHBondContact O-CB 3.44Å; S55-R58 PolarHBondContact O-N 3.23Å; S55-R58 VanDerWaalsContact O-N 3.11Å; E56-R58 PolarHBondContact O-N 2.94Å; R58-Q61 CarbonylContact O-C 3.43Å; R58-Q61 PolarHBondContact O-N 3.42Å; R58-G62 PolarHBondContact O-N 3.18Å; R58-G62 VanDerWaalsContact O-N 3.16Å; R58-I63 HydrophobicContact CB-CG1 4.34Å; R58-I63 WeakPolarHBondContact O-CG1 3.42Å; R58-I63 PolarHBondContact O-N 3.05Å; R58-D69 IonicContact CZ-OD1 2.95Å; R58-D69 IonicContact CZ-OD2 3.87Å; R58-D69 IonicContact NE-OD1 3.66Å; R58-D69 IonicContact NE-OD2 2.95Å; R58-D69 PolarHBondContact NE-OD2 3.41Å; R58-D69 IonicContact NH2-OD1 3.78Å; R58-D69 PolarHBondContact NH2-OD1 3.38Å; R58-D69 IonicContact NH2-OD2 2.87Å
59L95.2Very high96.6Very high43 Ų4361.8 Ų61.823%0.22533%0.328CS..Hα-helixtrans-61.3-45.9178.4-177.469000111.2F13 P20 S55 E56 Q61 G62F13-L59 HydrophobicContact CB-CD1 4.31Å; F13-L59 HydrophobicContact CB-CD2 3.79Å; F13-L59 HydrophobicContact CG-CD2 4.37Å; P20-L59 HydrophobicContact CG-CD2 4.14Å; S55-L59 WeakPolarHBondContact O-CB 2.97Å; S55-L59 PolarHBondContact O-N 3.24Å; E56-L59 WeakPolarHBondContact O-CB 3.44Å; E56-L59 PolarHBondContact O-N 2.9Å; L59-Q61 PolarHBondContact O-N 3.18Å; L59-G62 PolarHBondContact O-N 3.41Å
60L94.7Very high96.5Very high148 Ų14860.7 Ų60.778%0.77532%0.323SS*.Hα-helixtrans-63.3-27.5176.9-70.6173.4000113.3E56 G62E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CG 3.44Å; E56-L60 PolarHBondContact O-N 2.77Å; L60-G62 VanDerWaalsContact C-N 3.34Å
61Q96.3Very high96.5Very high138 Ų13855 Ų5565%0.64530%0.298SS*.THydrogen-bonded Turntrans-86.6-3.2175.2-69.6174.7-1.900113.1A57 R58 L59 I63A57-Q61 WeakPolarHBondContact O-CG 3.42Å; A57-Q61 PolarHBondContact O-N 2.97Å; R58-Q61 CarbonylContact O-C 3.43Å; R58-Q61 PolarHBondContact O-N 3.42Å; L59-Q61 PolarHBondContact O-N 3.18Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 HydrophobicContact CB-CD1 4.18Å; Q61-I63 HydrophobicContact CB-CG1 3.74Å; Q61-I63 PolarHBondContact O-N 3.44Å
62G94.6Very high96.5Very high60 Ų6054 Ų5462%0.61929%0.294SS*.THydrogen-bonded Turntrans7221.9-177.900000114.5R58 L59 L60 P64R58-G62 PolarHBondContact O-N 3.18Å; R58-G62 VanDerWaalsContact O-N 3.16Å; L59-G62 PolarHBondContact O-N 3.41Å; L60-G62 VanDerWaalsContact C-N 3.34Å; G62-P64 WeakPolarHBondContact O-CD 3.25Å
63I95.9Very high96.5Very high99 Ų9954.1 Ų54.151%0.50829%0.294SS..  trans-123.856.2-175.855.5165000113.2R58 Q61R58-I63 HydrophobicContact CB-CG1 4.34Å; R58-I63 WeakPolarHBondContact O-CG1 3.42Å; R58-I63 PolarHBondContact O-N 3.05Å; Q61-I63 VanDerWaalsContact C-N 3.33Å; Q61-I63 HydrophobicContact CB-CD1 4.18Å; Q61-I63 HydrophobicContact CB-CG1 3.74Å; Q61-I63 PolarHBondContact O-N 3.44Å
64P94.4Very high96.5Very high69 Ų6947.7 Ų47.745%0.44827%0.27SS..  trans-63.3145.2176.430.1-35.4000111.3G62 G66 D69G62-P64 WeakPolarHBondContact O-CD 3.25Å; P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.42Å; P64-D69 WeakPolarHBondContact CA-OD2 3.39Å; P64-D69 HydrophobicContact CB-CB 4.24Å
65K95.2Very high96.5Very high104 Ų10443.3 Ų43.345%0.45225%0.249SC..  trans-71.4-22.7-179.6-77.5-179162.9-153.30114.2D69 D110 Q111K65-D69 HydrophobicContact CB-CB 4.39Å; K65-D69 PolarHBondContact N-OD2 3.11Å; K65-D110 WeakPolarHBondContact CD-O 3.17Å; K65-Q111 WeakPolarHBondContact CB-O 3.44Å
66G91.7Very high96.6Very high25 Ų2543.2 Ų43.226%0.25825%0.248SC..SBendtrans163.9-170.3-179.300000113.1P64 L68 D69P64-G66 VanDerWaalsContact C-N 3.32Å; P64-G66 PolarHBondContact O-N 3.42Å; G66-L68 PolarHBondContact O-N 3.28Å; G66-L68 VanDerWaalsContact O-N 3.12Å; G66-D69 PolarHBondContact O-N 3.49Å
67P91.8Very high96.6Very high66 Ų6640.6 Ų40.643%0.42924%0.236SC..THydrogen-bonded Turntrans-63.4-15.2-176.825.1-37.1000114.9I237 V241P67-I237 HydrophobicContact CB-CG2 4.09Å; P67-I237 HydrophobicContact CG-CG2 4.34Å; P67-V241 HydrophobicContact CG-CG2 4.32Å
68L96.2Very high96.6Very high1 Ų138.6 Ų38.61%0.00522%0.219CC..THydrogen-bonded Turntrans-108.99.7179.6-57.5179.6000113.4L6 G66 G70 I71 L108 Q111 A113 L181 I237 V241L6-L68 HydrophobicContact CD1-CD2 3.8Å; G66-L68 PolarHBondContact O-N 3.28Å; G66-L68 VanDerWaalsContact O-N 3.12Å; L68-G70 PolarHBondContact O-N 3.2Å; L68-I71 HydrophobicContact CB-CB 4.49Å; L68-I71 HydrophobicContact CD2-CG1 4.47Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.17Å; L68-I71 VanDerWaalsContact O-N 3.1Å; L68-L108 HydrophobicContact CD1-CD2 3.53Å; L68-Q111 CarbonylContact C-O 3.57Å; L68-Q111 HydrophobicContact CB-CB 4.03Å; L68-A113 HydrophobicContact CB-CB 4.25Å; L68-A113 VanDerWaalsContact O-CA 3.29Å; L68-A113 WeakPolarHBondContact O-CA 3.23Å; L68-A113 PolarHBondContact O-N 3.4Å; L68-L181 HydrophobicContact CD1-CD2 4.44Å; L68-I237 HydrophobicContact CD2-CG2 3.89Å; L68-I237 HydrophobicContact CG-CG2 4.43Å; L68-V241 HydrophobicContact CD1-CB 4.3Å; L68-V241 HydrophobicContact CD1-CG1 4.36Å; L68-V241 HydrophobicContact CD1-CG2 3.91Å; L68-V241 HydrophobicContact CG-CG2 4.35Å
69D97.8Very high96.7Very high11 Ų1136.7 Ų36.76%0.05921%0.212CC..THydrogen-bonded Turntrans-63.9121.7-178.7-161.4-10.7000110.5S55 R58 P64 K65 G66 I71 Q111S55-D69 WeakPolarHBondContact CB-OD1 3.35Å; S55-D69 PolarHBondContact OG-OD1 3.49Å; R58-D69 IonicContact CZ-OD1 2.95Å; R58-D69 IonicContact CZ-OD2 3.87Å; R58-D69 IonicContact NE-OD1 3.66Å; R58-D69 IonicContact NE-OD2 2.95Å; R58-D69 PolarHBondContact NE-OD2 3.41Å; R58-D69 IonicContact NH2-OD1 3.78Å; R58-D69 PolarHBondContact NH2-OD1 3.38Å; R58-D69 IonicContact NH2-OD2 2.87Å; P64-D69 WeakPolarHBondContact CA-OD2 3.39Å; P64-D69 HydrophobicContact CB-CB 4.24Å; K65-D69 HydrophobicContact CB-CB 4.39Å; K65-D69 PolarHBondContact N-OD2 3.11Å; G66-D69 PolarHBondContact O-N 3.49Å; D69-I71 VanDerWaalsContact C-N 3.26Å; D69-I71 PolarHBondContact O-N 3Å; D69-Q111 WeakPolarHBondContact CA-O 3.2Å; D69-Q111 WeakPolarHBondContact CB-O 3.39Å; D69-Q111 PolarHBondContact N-O 2.87Å
70G98Very high96.9Very high0 Ų034.7 Ų34.70%020%0.202CC..THydrogen-bonded Turntrans82.2-2.5-179.300000115S55 L68 P72 G112S55-G70 WeakPolarHBondContact OG-CA 3.34Å; S55-G70 PolarHBondContact OG-N 3.34Å; L68-G70 PolarHBondContact O-N 3.2Å; G70-P72 WeakPolarHBondContact O-CD 3.17Å; G70-G112 PolarHBondContact N-O 3.19Å
71I98.3Very high97.1Very high2 Ų227.6 Ų27.61%0.0117%0.165CC..  trans-77.2125.7179.7-61.3-57.5000110.6L6 V9 F13 L68 D69 F73 V114L6-I71 HydrophobicContact CD2-CB 4.33Å; L6-I71 HydrophobicContact CD2-CD1 4.1Å; L6-I71 HydrophobicContact CD2-CG1 4.14Å; L6-I71 HydrophobicContact CD2-CG2 3.28Å; V9-I71 HydrophobicContact CB-CD1 4.08Å; V9-I71 HydrophobicContact CG1-CD1 3.48Å; V9-I71 VanDerWaalsContact CG1-CD1 3.48Å; F13-I71 HydrophobicContact CE2-CD1 3.99Å; L68-I71 HydrophobicContact CB-CB 4.49Å; L68-I71 HydrophobicContact CD2-CG1 4.47Å; L68-I71 WeakPolarHBondContact O-CB 3.41Å; L68-I71 PolarHBondContact O-N 3.17Å; L68-I71 VanDerWaalsContact O-N 3.1Å; D69-I71 VanDerWaalsContact C-N 3.26Å; D69-I71 PolarHBondContact O-N 3Å; I71-F73 PolarHBondContact O-N 3.42Å; I71-V114 PolarHBondContact O-N 2.88Å
72P98.7Very high97.2Very high0 Ų022.2 Ų22.20%014%0.144CC..EExtended strand (participates in β ladder)trans-64.4127172-25.136.4000113L23 G70 V114 M116 S179 Y180L23-P72 HydrophobicContact CD2-CG 4.05Å; L23-P72 HydrophobicContact CG-CG 4.05Å; G70-P72 WeakPolarHBondContact O-CD 3.17Å; P72-V114 CarbonylContact C-O 3.51Å; P72-V114 WeakPolarHBondContact CA-O 3.4Å; P72-M116 HydrophobicContact CB-CG 3.69Å; P72-M116 HydrophobicContact CB-SD 3.79Å; P72-M116 HydrophobicContact CG-SD 4.47Å; P72-S179 PolarHBondContact O-OG 3.46Å; P72-Y180 HydrophobicContact CB-CD2 4.26Å; P72-Y180 HydrophobicContact CG-CD2 4.16Å; P72-Y180 HydrophobicContact CG-CE2 4.38Å; P72-Y180 PolarHBondContact O-N 2.9Å; P72-Y180 VanDerWaalsContact O-N 3.11Å
73F98.9Very high97.4Very high1 Ų125.7 Ų25.70%0.00415%0.148CC..EExtended strand (participates in β ladder)trans-130.1155.1172.380.3-77000112.5I71 V75 L108 L109 A113 V114 L115 M116 S179 L181I71-F73 PolarHBondContact O-N 3.42Å; F73-V75 HydrophobicContact CD2-CG2 3.61Å; F73-V75 HydrophobicContact CE2-CG2 3.3Å; F73-V75 HydrophobicContact CZ-CG2 4.41Å; F73-L108 HydrophobicContact CD2-CB 4.44Å; F73-L108 HydrophobicContact CD2-CD1 3.48Å; F73-L108 VanDerWaalsContact CD2-CD1 3.48Å; F73-L108 HydrophobicContact CE1-CB 4.26Å; F73-L108 HydrophobicContact CE2-CB 4.01Å; F73-L108 HydrophobicContact CE2-CD1 3.57Å; F73-L108 HydrophobicContact CE2-CG 4.45Å; F73-L108 HydrophobicContact CG-CD1 4.14Å; F73-L108 HydrophobicContact CZ-CB 3.93Å; F73-L108 HydrophobicContact CZ-CD1 4.34Å; F73-L109 HydrophobicContact CE1-CD2 4.33Å; F73-L109 HydrophobicContact CZ-CD2 4.11Å; F73-L109 HydrophobicContact CZ-CG 4.49Å; F73-A113 HydrophobicContact CD1-CB 3.49Å; F73-A113 VanDerWaalsContact CD1-CB 3.49Å; F73-A113 HydrophobicContact CE1-CB 3.69Å; F73-A113 HydrophobicContact CG-CB 4.42Å; F73-V114 VanDerWaalsContact CD1-C 3.43Å; F73-V114 VanDerWaalsContact CD1-O 3.23Å; F73-V114 WeakPolarHBondContact CD1-O 3.32Å; F73-V114 PolarHBondContact N-O 2.91Å; F73-L115 HydrophobicContact CD2-CD1 4.28Å; F73-L115 HydrophobicContact CE1-CB 3.78Å; F73-L115 HydrophobicContact CE1-CD1 4.44Å; F73-L115 HydrophobicContact CE2-CD1 3.79Å; F73-L115 HydrophobicContact CZ-CB 3.8Å; F73-L115 HydrophobicContact CZ-CD1 3.87Å; F73-L115 HydrophobicContact CZ-CG 4.36Å; F73-M116 WeakPolarHBondContact O-CB 3.45Å; F73-M116 PolarHBondContact O-N 3.26Å; F73-S179 VanDerWaalsContact C-OG 3.27Å; F73-S179 WeakPolarHBondContact CA-OG 3.48Å; F73-L181 CarbonylContact C-O 3.59Å; F73-L181 VanDerWaalsContact CA-O 3.23Å; F73-L181 WeakPolarHBondContact CA-O 3.28Å; F73-L181 HydrophobicContact CB-CB 4.23Å; F73-L181 HydrophobicContact CB-CD2 4.41Å; F73-L181 HydrophobicContact CB-CG 4.39Å
74A98.9Very high97.5Very high0 Ų022.2 Ų22.20%013%0.13CC..EExtended strand (participates in β ladder)trans-120.8156.8176.900000110.6Y40 T119 A173 S179 L181 A182 L183Y40-A74 HydrophobicContact CE1-CB 3.82Å; A74-T119 HydrophobicContact CB-CG2 3.68Å; A74-A173 HydrophobicContact CB-CB 4.38Å; A74-S179 PolarHBondContact N-OG 3.36Å; A74-S179 VanDerWaalsContact N-OG 3.12Å; A74-L181 PolarHBondContact N-O 2.91Å; A74-A182 HydrophobicContact CB-CB 4.11Å; A74-A182 CarbonylContact O-C 3.56Å; A74-A182 VanDerWaalsContact O-CA 3.25Å; A74-A182 WeakPolarHBondContact O-CA 3.47Å; A74-L183 PolarHBondContact O-N 3.03Å
75V98.9Very high97.7Very high0 Ų022.9 Ų22.90%012%0.124CC..EExtended strand (participates in β ladder)trans-135.4124-172.9178.20000110.6F73 D77 F79 T81 V105 L115 G117 K118 T119 L183F73-V75 HydrophobicContact CD2-CG2 3.61Å; F73-V75 HydrophobicContact CE2-CG2 3.3Å; F73-V75 HydrophobicContact CZ-CG2 4.41Å; V75-D77 PolarHBondContact O-N 3.11Å; V75-F79 HydrophobicContact CG1-CB 3.55Å; V75-F79 HydrophobicContact CG1-CD2 3.97Å; V75-F79 HydrophobicContact CG1-CG 4.05Å; V75-T81 HydrophobicContact CG1-CG2 4.43Å; V75-V105 HydrophobicContact CG1-CG2 3.84Å; V75-V105 HydrophobicContact CG2-CG2 4.23Å; V75-L115 HydrophobicContact CB-CD1 4.2Å; V75-L115 HydrophobicContact CG2-CD1 3.56Å; V75-G117 PolarHBondContact N-O 3.45Å; V75-G117 VanDerWaalsContact N-O 3.08Å; V75-K118 CarbonylContact O-C 3.59Å; V75-K118 WeakPolarHBondContact O-CA 3.39Å; V75-T119 VanDerWaalsContact C-OG1 3.32Å; V75-T119 PolarHBondContact O-N 2.99Å; V75-T119 PolarHBondContact O-OG1 3.48Å; V75-L183 HydrophobicContact CG1-CB 4.5Å; V75-L183 HydrophobicContact CG1-CD1 4.33Å; V75-L183 HydrophobicContact CG2-CD1 4.15Å
76K98.9Very high97.8Very high0 Ų017.9 Ų17.90%010%0.102CC..EExtended strand (participates in β ladder)trans-52137.9172.7-168.2177.7179.5178.90111.9N78 F79 T119 M121 S166 S167 L183 S185K76-N78 WeakPolarHBondContact CD-OD1 3.38Å; K76-N78 VanDerWaalsContact CG-OD1 3.25Å; K76-N78 WeakPolarHBondContact CG-OD1 3.41Å; K76-N78 PolarHBondContact O-N 3.1Å; K76-F79 HydrophobicContact CB-CD2 3.97Å; K76-F79 HydrophobicContact CB-CE2 4.02Å; K76-F79 WeakPolarHBondContact O-CD2 3.34Å; K76-F79 PolarHBondContact O-N 3.24Å; K76-T119 WeakPolarHBondContact CA-OG1 3.25Å; K76-T119 PolarHBondContact N-OG1 3.11Å; K76-T119 VanDerWaalsContact N-OG1 3.16Å; K76-M121 HydrophobicContact CD-SD 4.23Å; K76-M121 HydrophobicContact CG-CB 4.18Å; K76-M121 HydrophobicContact CG-CG 4.44Å; K76-M121 HydrophobicContact CG-SD 3.65Å; K76-S166 VanDerWaalsContact CE-O 3.23Å; K76-S166 WeakPolarHBondContact CE-O 3.39Å; K76-S166 PolarHBondContact NZ-O 3.29Å; K76-S166 PolarHBondContact NZ-OG 3.4Å; K76-S167 WeakPolarHBondContact CD-OG 3.22Å; K76-S167 WeakPolarHBondContact CE-OG 3.47Å; K76-S167 PolarHBondContact NZ-OG 2.56Å; K76-L183 WeakPolarHBondContact CB-O 3.39Å; K76-L183 PolarHBondContact N-O 2.87Å; K76-S185 PolarHBondContact NZ-OG 3.37Å
77D98.9Very high98.2Very high0 Ų016.7 Ų16.70%09%0.09CC..THydrogen-bonded Turntrans-74.312.4-170-159.840.1000115.3I41 V75 T86 T87 C88 K118 T119 M121I41-D77 HydrophobicContact CD1-CB 3.92Å; V75-D77 PolarHBondContact O-N 3.11Å; D77-T86 WeakPolarHBondContact O-CG2 3.3Å; D77-T86 WeakPolarHBondContact OD1-CA 3.29Å; D77-T87 PolarHBondContact O-N 2.9Å; D77-T87 WeakPolarHBondContact OD2-CA 3.47Å; D77-T87 VanDerWaalsContact OD2-CB 3.25Å; D77-T87 WeakPolarHBondContact OD2-CB 3.29Å; D77-T87 PolarHBondContact OD2-N 2.93Å; D77-T87 PolarHBondContact OD2-OG1 3.19Å; D77-C88 PolarHBondContact O-N 3.46Å; D77-K118 HydrophobicContact CB-CB 4.1Å; D77-K118 VanDerWaalsContact OD1-CB 3.22Å; D77-K118 WeakPolarHBondContact OD1-CB 3.36Å; D77-K118 WeakPolarHBondContact OD1-CE 3.2Å; D77-K118 IonicContact OD1-NZ 3.03Å; D77-K118 PolarHBondContact OD1-NZ 2.96Å; D77-T119 VanDerWaalsContact CB-O 3.29Å; D77-T119 WeakPolarHBondContact CB-O 3.31Å; D77-T119 PolarHBondContact N-O 3.18Å; D77-T119 VanDerWaalsContact N-O 3.1Å; D77-M121 HydrophobicContact CB-SD 4.34Å
78N98.8Very high98.5Very high3 Ų313.6 Ų13.62%0.0167%0.07CC..THydrogen-bonded Turntrans-100.8416665.2-15.1000113.8K76 M121 S185 L215 I216K76-N78 WeakPolarHBondContact CD-OD1 3.38Å; K76-N78 VanDerWaalsContact CG-OD1 3.25Å; K76-N78 WeakPolarHBondContact CG-OD1 3.41Å; K76-N78 PolarHBondContact O-N 3.1Å; N78-M121 HydrophobicContact CB-CE 3.8Å; N78-M121 HydrophobicContact CB-SD 3.79Å; N78-S185 PolarHBondContact ND2-OG 3.46Å; N78-L215 HydrophobicContact CB-CD1 4.35Å; N78-L215 WeakPolarHBondContact ND2-CD1 3.45Å; N78-I216 HydrophobicContact CB-CB 4.45Å; N78-I216 PolarHBondContact O-N 3.28Å
79F98.9Very high98.6Very high0 Ų013.5 Ų13.50%07%0.069CC..BIsolated β-bridgetrans-93.9131.3165.6-64.6-86.7000110.2V75 K76 T81 T86 A102 V104 V105 K118 L183 G184 L215 P225V75-F79 HydrophobicContact CG1-CB 3.55Å; V75-F79 HydrophobicContact CG1-CD2 3.97Å; V75-F79 HydrophobicContact CG1-CG 4.05Å; K76-F79 HydrophobicContact CB-CD2 3.97Å; K76-F79 HydrophobicContact CB-CE2 4.02Å; K76-F79 WeakPolarHBondContact O-CD2 3.34Å; K76-F79 PolarHBondContact O-N 3.24Å; F79-T81 PolarHBondContact O-N 2.88Å; F79-T86 WeakPolarHBondContact O-CG2 3.25Å; F79-T86 PolarHBondContact O-OG1 2.85Å; F79-A102 HydrophobicContact CB-CB 4.17Å; F79-A102 HydrophobicContact CD1-CB 4.09Å; F79-V104 HydrophobicContact CD1-CG2 3.58Å; F79-V104 HydrophobicContact CE1-CG2 3.61Å; F79-V105 HydrophobicContact CB-CG2 4.14Å; F79-K118 PolarHBondContact O-NZ 3.1Å; F79-K118 VanDerWaalsContact O-NZ 3.13Å; F79-L183 HydrophobicContact CD2-CB 4.38Å; F79-L183 HydrophobicContact CE2-CB 4.11Å; F79-G184 VanDerWaalsContact CE2-O 3.28Å; F79-G184 WeakPolarHBondContact CE2-O 3.38Å; F79-G184 WeakPolarHBondContact CZ-O 3.31Å; F79-L215 HydrophobicContact CD1-CB 4Å; F79-L215 HydrophobicContact CD1-CD1 4.09Å; F79-L215 HydrophobicContact CD2-CD1 4.49Å; F79-L215 HydrophobicContact CE1-CB 3.83Å; F79-L215 HydrophobicContact CE1-CD1 3.78Å; F79-L215 HydrophobicContact CE1-CD2 4.24Å; F79-L215 HydrophobicContact CE1-CG 4.15Å; F79-L215 HydrophobicContact CE2-CD1 4.2Å; F79-L215 HydrophobicContact CG-CD1 4.44Å; F79-L215 HydrophobicContact CZ-CD1 3.83Å; F79-L215 HydrophobicContact CZ-CD2 4.41Å; F79-P225 HydrophobicContact CE1-CB 4.02Å; F79-P225 HydrophobicContact CE1-CG 4.24Å; F79-P225 HydrophobicContact CZ-CB 3.99Å
80C98.9Very high98.7Very high1 Ų113 Ų131%0.0077%0.067CC..  trans-65.4132.8174-67.80000110.5P98 Y100 A102 G214C80-P98 HydrophobicContact CB-CB 3.91Å; C80-P98 HydrophobicContact CB-CG 3.96Å; C80-Y100 HydrophobicContact CB-CD2 4.32Å; C80-Y100 HydrophobicContact CB-CE2 3.87Å; C80-Y100 PolarHBondContact SG-OH 3.24Å; C80-A102 PolarHBondContact O-N 3.29Å; C80-G214 WeakPolarHBondContact CB-O 3.12Å; C80-G214 PolarHBondContact N-O 3.44Å; C80-G214 PolarHBondContact SG-O 2.77Å
81T98.7Very high98.7Very high0 Ų019.4 Ų19.40%09%0.094CC..BIsolated β-bridgetrans-132.5110.818043.30000108.3V75 F79 N83 I84 T86 P98 N101 V105 L115 K118V75-T81 HydrophobicContact CG1-CG2 4.43Å; F79-T81 PolarHBondContact O-N 2.88Å; T81-N83 PolarHBondContact O-N 3.21Å; T81-I84 PolarHBondContact O-N 2.85Å; T81-I84 WeakPolarHBondContact OG1-CB 3.15Å; T81-I84 PolarHBondContact OG1-O 3.44Å; T81-I84 VanDerWaalsContact OG1-O 3.04Å; T81-T86 PolarHBondContact OG1-OG1 3.14Å; T81-P98 WeakPolarHBondContact O-CG 3.38Å; T81-N101 WeakPolarHBondContact CA-OD1 3.31Å; T81-V105 HydrophobicContact CG2-CG1 4.07Å; T81-V105 HydrophobicContact CG2-CG2 4.17Å; T81-L115 HydrophobicContact CG2-CD2 4.48Å; T81-K118 HydrophobicContact CG2-CD 3.73Å; T81-K118 WeakPolarHBondContact OG1-CD 3.44Å; T81-K118 WeakPolarHBondContact OG1-CE 3.49Å; T81-K118 PolarHBondContact OG1-NZ 3.32Å
82A98.6Very high98.7Very high25 Ų2519.4 Ų19.421%0.2079%0.094CC..THydrogen-bonded Turntrans-52.9124.3-171.500000111.3I84 P98 Y100 N101A82-I84 PolarHBondContact O-N 2.91Å; A82-P98 WeakPolarHBondContact CA-O 3.47Å; A82-Y100 PolarHBondContact N-O 3.45Å; A82-N101 WeakPolarHBondContact CB-OD1 3.26Å; A82-N101 PolarHBondContact N-OD1 3.37Å
83N97.9Very high98.7Very high133 Ų13319.5 Ų19.571%0.71110%0.095SC*.THydrogen-bonded Turntrans62.617.2179.7-49.4-57.7000115.2T81 P98T81-N83 PolarHBondContact O-N 3.21Å; N83-P98 PolarHBondContact N-O 2.71Å
84I98.5Very high98.7Very high25 Ų2524.4 Ų24.413%0.12812%0.116CC..BIsolated β-bridgetrans-126.9129.4174.7-59.8168.4000107.4T42 T44 F47 T81 A82 T86 P98 L115 K118T42-I84 HydrophobicContact CG2-CG2 4.38Å; T44-I84 HydrophobicContact CG2-CD1 4Å; T44-I84 HydrophobicContact CG2-CG1 4.46Å; T44-I84 HydrophobicContact CG2-CG2 3.87Å; F47-I84 HydrophobicContact CD1-CD1 4.26Å; F47-I84 HydrophobicContact CE1-CD1 4.3Å; T81-I84 PolarHBondContact O-N 2.85Å; T81-I84 WeakPolarHBondContact OG1-CB 3.15Å; T81-I84 PolarHBondContact OG1-O 3.44Å; T81-I84 VanDerWaalsContact OG1-O 3.04Å; A82-I84 PolarHBondContact O-N 2.91Å; I84-T86 PolarHBondContact O-N 2.97Å; I84-P98 WeakPolarHBondContact O-CD 3.44Å; I84-L115 HydrophobicContact CD1-CD2 3.63Å; I84-K118 HydrophobicContact CG2-CD 4.11Å; I84-K118 HydrophobicContact CG2-CG 3.9Å
85R98.3Very high98.5Very high83 Ų8330 Ų3031%0.31315%0.146SC..  trans-50.3136.8-175.9-67.1-170.8-59.1158.24112.4T42 T87 K94 Y96 K118T42-R85 PolarHBondContact OG1-NH2 3.35Å; R85-T87 HydrophobicContact CB-CG2 4.38Å; R85-K94 PolarHBondContact NH1-O 2.93Å; R85-Y96 VanDerWaalsContact CA-O 3.29Å; R85-Y96 WeakPolarHBondContact CA-O 3.5Å; R85-K118 PolarHBondContact O-NZ 3.43Å; R85-K118 VanDerWaalsContact O-NZ 3.12Å
86T98.8Very high98.5Very high0 Ų031.7 Ų31.70%015%0.152CC..  trans-128.7106.7174.6-68.30000107.7D77 F79 T81 I84 Y96 K118 I216D77-T86 WeakPolarHBondContact O-CG2 3.3Å; D77-T86 WeakPolarHBondContact OD1-CA 3.29Å; F79-T86 WeakPolarHBondContact O-CG2 3.25Å; F79-T86 PolarHBondContact O-OG1 2.85Å; T81-T86 PolarHBondContact OG1-OG1 3.14Å; I84-T86 PolarHBondContact O-N 2.97Å; T86-Y96 PolarHBondContact N-O 2.97Å; T86-Y96 WeakPolarHBondContact O-CD1 3.42Å; T86-K118 PolarHBondContact OG1-NZ 3.5Å; T86-I216 HydrophobicContact CG2-CD1 3.62Å
87T98.8Very high98.4Very high0 Ų034.9 Ų34.90%017%0.172CC..  trans-109.8-12.7-166.877.60000114.2I41 D77 R85 A89 S90 L93 K94 F135I41-T87 HydrophobicContact CG2-CG2 4.47Å; D77-T87 PolarHBondContact O-N 2.9Å; D77-T87 WeakPolarHBondContact OD2-CA 3.47Å; D77-T87 VanDerWaalsContact OD2-CB 3.25Å; D77-T87 WeakPolarHBondContact OD2-CB 3.29Å; D77-T87 PolarHBondContact OD2-N 2.93Å; D77-T87 PolarHBondContact OD2-OG1 3.19Å; R85-T87 HydrophobicContact CB-CG2 4.38Å; T87-A89 PolarHBondContact O-N 3.3Å; T87-A89 VanDerWaalsContact O-N 3.08Å; T87-A89 PolarHBondContact OG1-N 2.99Å; T87-A89 VanDerWaalsContact OG1-N 3.15Å; T87-S90 WeakPolarHBondContact O-CB 3.41Å; T87-S90 PolarHBondContact O-N 3.42Å; T87-L93 WeakPolarHBondContact CA-O 3.31Å; T87-L93 WeakPolarHBondContact O-CB 3.38Å; T87-K94 WeakPolarHBondContact CG2-O 3.3Å; T87-F135 HydrophobicContact CG2-CE2 4.31Å; T87-F135 HydrophobicContact CG2-CZ 3.91Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.44Å
88C98.8Very high98.4Very high0 Ų034.9 Ų34.90%017%0.172CC..THydrogen-bonded Turntrans51.428.1-169.9-630000113.4D77 S90 L93 E123 F124 I216D77-C88 PolarHBondContact O-N 3.46Å; C88-S90 PolarHBondContact O-N 3.22Å; C88-L93 HydrophobicContact CB-CD1 4.36Å; C88-E123 WeakPolarHBondContact O-CA 3.23Å; C88-F124 HydrophobicContact CB-CD1 3.67Å; C88-F124 HydrophobicContact CB-CE1 3.72Å; C88-F124 HydrophobicContact CB-CG 4.09Å; C88-F124 HydrophobicContact CB-CZ 4.16Å; C88-F124 PolarHBondContact O-N 2.89Å; C88-I216 WeakPolarHBondContact SG-CD1 3.41Å
89A98.6Very high98.3Very high0 Ų039.6 Ų39.60%020%0.203CC..THydrogen-bonded Turntrans51.930.4-17000000114.4I41 T87 M121 A134 F135I41-A89 HydrophobicContact CD1-CB 3.87Å; T87-A89 PolarHBondContact O-N 3.3Å; T87-A89 VanDerWaalsContact O-N 3.08Å; T87-A89 PolarHBondContact OG1-N 2.99Å; T87-A89 VanDerWaalsContact OG1-N 3.15Å; A89-M121 HydrophobicContact CB-CG 3.7Å; A89-M121 WeakPolarHBondContact CB-O 3.48Å; A89-A134 WeakPolarHBondContact O-CB 3.37Å; A89-A134 PolarHBondContact O-N 3.11Å; A89-F135 HydrophobicContact CB-CD2 4.21Å
90S98.8Very high98.3Very high0 Ų043.9 Ų43.90%022%0.22CC..SBendtrans-116.6149.7-174.9-177.70000112.3T87 C88 M92 L93 K94 E123 F124 G362T87-S90 WeakPolarHBondContact O-CB 3.41Å; T87-S90 PolarHBondContact O-N 3.42Å; C88-S90 PolarHBondContact O-N 3.22Å; S90-M92 PolarHBondContact O-N 3.48Å; S90-M92 VanDerWaalsContact OG-CB 3.25Å; S90-M92 WeakPolarHBondContact OG-CB 3.14Å; S90-M92 PolarHBondContact OG-N 3.13Å; S90-L93 PolarHBondContact O-N 2.87Å; S90-K94 PolarHBondContact O-N 3.23Å; S90-E123 VanDerWaalsContact CB-OE1 3.23Å; S90-E123 WeakPolarHBondContact CB-OE1 3.41Å; S90-E123 PolarHBondContact OG-OE1 3.45Å; S90-F124 VanDerWaalsContact OG-CE2 3.3Å; S90-F124 WeakPolarHBondContact OG-CE2 3.5Å; S90-G362 PolarHBondContact OG-O 3.05Å
91K98.4Very high98.3Very high135 Ų13545.1 Ų45.159%0.58723%0.226SC*.G310 helixtrans-64.6-32.1166.4-65.1-179.3-176.8174.60111.2L93 K94 A134K91-L93 PolarHBondContact O-N 2.87Å; K91-K94 PolarHBondContact O-N 3.27Å; K91-A134 HydrophobicContact CG-CB 3.91Å
92M98.7Very high98.3Very high2 Ų245.1 Ų45.11%0.0123%0.226CC..G310 helixtrans-55.5-34.7178.6-17755.475.800113.1S90 F124 F336 G342 H343 T358 R359 G362 F363S90-M92 PolarHBondContact O-N 3.48Å; S90-M92 VanDerWaalsContact OG-CB 3.25Å; S90-M92 WeakPolarHBondContact OG-CB 3.14Å; S90-M92 PolarHBondContact OG-N 3.13Å; M92-F124 HydrophobicContact CB-CE2 4.1Å; M92-F124 HydrophobicContact CB-CZ 4.25Å; M92-F124 HydrophobicContact CG-CZ 4.35Å; M92-F336 HydrophobicContact CE-CB 4.28Å; M92-F336 HydrophobicContact CG-CB 3.88Å; M92-F336 HydrophobicContact CG-CD1 4.23Å; M92-F336 HydrophobicContact CG-CG 4.17Å; M92-F336 HydrophobicContact SD-CB 4.03Å; M92-G342 CarbonylContact O-C 3.46Å; M92-G342 WeakPolarHBondContact O-CA 3.16Å; M92-H343 PolarHBondContact O-N 2.96Å; M92-H343 HydrophobicContact SD-CB 4.1Å; M92-T358 HydrophobicContact CE-CG2 4.22Å; M92-T358 HydrophobicContact SD-CG2 4.42Å; M92-R359 HydrophobicContact CE-CG 4.4Å; M92-G362 PolarHBondContact N-O 3.49Å; M92-F363 HydrophobicContact CB-CD1 4Å; M92-F363 HydrophobicContact CB-CE1 3.84Å; M92-F363 HydrophobicContact CE-CD1 4.29Å; M92-F363 HydrophobicContact CE-CD2 4.02Å; M92-F363 HydrophobicContact CE-CE1 4.03Å; M92-F363 HydrophobicContact CE-CE2 3.75Å; M92-F363 HydrophobicContact CE-CG 4.3Å; M92-F363 HydrophobicContact CE-CZ 3.78Å; M92-F363 HydrophobicContact CG-CD1 4.33Å; M92-F363 HydrophobicContact CG-CE1 3.72Å; M92-F363 HydrophobicContact CG-CZ 4.09Å
93L98.7Very high98.3Very high1 Ų144.2 Ų44.21%0.00522%0.218CC..G310 helixtrans-121.817.5-176.9-63.2177.6000112.9T87 C88 S90 K91 D95 Y96 F124 I216 F336 Y341T87-L93 WeakPolarHBondContact CA-O 3.31Å; T87-L93 WeakPolarHBondContact O-CB 3.38Å; C88-L93 HydrophobicContact CB-CD1 4.36Å; S90-L93 PolarHBondContact O-N 2.87Å; K91-L93 PolarHBondContact O-N 2.87Å; L93-D95 PolarHBondContact O-N 3.44Å; L93-Y96 HydrophobicContact CD2-CD1 4.35Å; L93-Y96 HydrophobicContact CD2-CG 4.12Å; L93-Y96 WeakPolarHBondContact O-CB 3.44Å; L93-Y96 PolarHBondContact O-N 3.07Å; L93-F124 HydrophobicContact CD1-CE1 3.72Å; L93-F124 HydrophobicContact CD1-CZ 3.68Å; L93-F124 HydrophobicContact CG-CZ 4Å; L93-I216 HydrophobicContact CD1-CD1 4.02Å; L93-F336 HydrophobicContact CD1-CD1 4.49Å; L93-F336 HydrophobicContact CD1-CE1 3.76Å; L93-F336 HydrophobicContact CD1-CZ 4.25Å; L93-F336 HydrophobicContact CD2-CD1 4Å; L93-F336 HydrophobicContact CD2-CE1 3.9Å; L93-F336 HydrophobicContact CG-CD1 4.43Å; L93-F336 HydrophobicContact CG-CE1 4.16Å; L93-Y341 HydrophobicContact CD2-CD2 3.9Å; L93-Y341 HydrophobicContact CD2-CE2 4.16Å
94K97.9Very high98.4Very high105 Ų10538 Ų3846%0.45719%0.185SC..THydrogen-bonded Turntrans-49.1-37.5-174.4-178.3-173.1172.6-167.20113.9R85 T87 S90 K91 F135R85-K94 PolarHBondContact NH1-O 2.93Å; T87-K94 WeakPolarHBondContact CG2-O 3.3Å; S90-K94 PolarHBondContact O-N 3.23Å; K91-K94 PolarHBondContact O-N 3.27Å; K94-F135 HydrophobicContact CB-CZ 4.48Å; K94-F135 HydrophobicContact CG-CE1 4.49Å; K94-F135 HydrophobicContact CG-CZ 4.03Å
95D95.3Very high98.4Very high116 Ų11636.8 Ų36.862%0.6218%0.179SC*.THydrogen-bonded Turntrans-1139.5-176.7-57.3-48000112.9L93 T97L93-D95 PolarHBondContact O-N 3.44Å; D95-T97 PolarHBondContact O-N 3.15Å
96Y98.4Very high98.4Very high36 Ų3635.7 Ų35.714%0.14118%0.177CC..  trans-70.6125.2178.8177.4-118.5000111.4R85 T86 L93 P98 Y341R85-Y96 VanDerWaalsContact CA-O 3.29Å; R85-Y96 WeakPolarHBondContact CA-O 3.5Å; T86-Y96 PolarHBondContact N-O 2.97Å; T86-Y96 WeakPolarHBondContact O-CD1 3.42Å; L93-Y96 HydrophobicContact CD2-CD1 4.35Å; L93-Y96 HydrophobicContact CD2-CG 4.12Å; L93-Y96 WeakPolarHBondContact O-CB 3.44Å; L93-Y96 PolarHBondContact O-N 3.07Å; Y96-P98 HydrophobicContact CE1-CB 3.71Å; Y96-P98 HydrophobicContact CE1-CG 4.12Å; Y96-Y341 HydrophobicContact CD2-CD2 4.14Å; Y96-Y341 HydrophobicContact CD2-CG 4.21Å; Y96-Y341 HydrophobicContact CE2-CD2 4.12Å; Y96-Y341 AromaticContact CE2-CG 4Å; Y96-Y341 HydrophobicContact CE2-CG 4Å
97T98.4Very high98.4Very high68 Ų6837.8 Ų37.842%0.41719%0.186SC..  trans-119.4101.7176-59.30000108.9D95D95-T97 PolarHBondContact O-N 3.15Å
98P98Very high98.4Very high0 Ų037.8 Ų37.80%019%0.186CC..  trans-68144.4-176.624.2-31000111.7C80 T81 A82 N83 I84 Y96 Y100C80-P98 HydrophobicContact CB-CB 3.91Å; C80-P98 HydrophobicContact CB-CG 3.96Å; T81-P98 WeakPolarHBondContact O-CG 3.38Å; A82-P98 WeakPolarHBondContact CA-O 3.47Å; N83-P98 PolarHBondContact N-O 2.71Å; I84-P98 WeakPolarHBondContact O-CD 3.44Å; Y96-P98 HydrophobicContact CE1-CB 3.71Å; Y96-P98 HydrophobicContact CE1-CG 4.12Å; P98-Y100 VanDerWaalsContact C-N 3.26Å; P98-Y100 HydrophobicContact CB-CE1 4.47Å; P98-Y100 PolarHBondContact O-N 3.4Å
99P97.6Very high98.4Very high102 Ų10239 Ų3966%0.66219%0.192SC*.SBendtrans-84.34.3177.832.9-34.1000113.6
100Y98.6Very high98.4Very high90 Ų9042.9 Ų42.935%0.35321%0.214SC..SBendtrans-144158.4-174.769.2-82.2000112.2C80 A82 P98 H213C80-Y100 HydrophobicContact CB-CD2 4.32Å; C80-Y100 HydrophobicContact CB-CE2 3.87Å; C80-Y100 PolarHBondContact SG-OH 3.24Å; A82-Y100 PolarHBondContact N-O 3.45Å; P98-Y100 VanDerWaalsContact C-N 3.26Å; P98-Y100 HydrophobicContact CB-CE1 4.47Å; P98-Y100 PolarHBondContact O-N 3.4Å; Y100-H213 AromaticContact CD2-CE1 3.89Å
101N98.8Very high98.3Very high27 Ų2745.1 Ų45.114%0.14422%0.224CC..  trans-90.1141.1172.2-71.9-40.7000110.7T81 A82 V105 Q106T81-N101 WeakPolarHBondContact CA-OD1 3.31Å; A82-N101 WeakPolarHBondContact CB-OD1 3.26Å; A82-N101 PolarHBondContact N-OD1 3.37Å; N101-V105 HydrophobicContact CB-CB 4.49Å; N101-V105 HydrophobicContact CB-CG1 4.41Å; N101-Q106 HydrophobicContact CB-CB 4.1Å; N101-Q106 PolarHBondContact ND2-OE1 2.9Å
102A98.9Very high98.3Very high0 Ų038.9 Ų38.90%020%0.198CC..  trans-56.1147.7158.300000110.1F79 C80 V104 V105 Q106 H213F79-A102 HydrophobicContact CB-CB 4.17Å; F79-A102 HydrophobicContact CD1-CB 4.09Å; C80-A102 PolarHBondContact O-N 3.29Å; A102-V104 VanDerWaalsContact C-N 3.29Å; A102-V104 HydrophobicContact CB-CG2 4.23Å; A102-V104 PolarHBondContact O-N 2.97Å; A102-V105 HydrophobicContact CB-CB 4.41Å; A102-V105 HydrophobicContact CB-CG2 4.07Å; A102-V105 WeakPolarHBondContact O-CB 3.3Å; A102-V105 PolarHBondContact O-N 3.49Å; A102-V105 VanDerWaalsContact O-N 3.09Å; A102-Q106 PolarHBondContact O-N 3.43Å; A102-H213 CarbonylContact C-O 3.59Å; A102-H213 VanDerWaalsContact CA-O 3.23Å; A102-H213 WeakPolarHBondContact CA-O 3.26Å; A102-H213 WeakPolarHBondContact CB-O 3.48Å
103T98.9Very high98.3Very high6 Ų638.9 Ų38.94%0.03720%0.198CC..Hα-helixtrans-59.9-41.8-175.4-66.50000111.7V105 Q106 K107 H213 D246 R248T103-V105 VanDerWaalsContact C-N 3.32Å; T103-V105 PolarHBondContact O-N 3.22Å; T103-Q106 PolarHBondContact O-N 2.94Å; T103-K107 HydrophobicContact CG2-CD 4.39Å; T103-K107 HydrophobicContact CG2-CG 4.42Å; T103-K107 WeakPolarHBondContact O-CG 3.16Å; T103-K107 PolarHBondContact O-N 3.38Å; T103-H213 PolarHBondContact N-O 2.84Å; T103-H213 PolarHBondContact OG1-ND1 3.32Å; T103-H213 VanDerWaalsContact OG1-ND1 3.15Å; T103-D246 VanDerWaalsContact CB-OD2 3.22Å; T103-D246 WeakPolarHBondContact CB-OD2 3.36Å; T103-D246 HydrophobicContact CG2-CB 4.24Å; T103-D246 VanDerWaalsContact CG2-OD2 3.31Å; T103-D246 WeakPolarHBondContact CG2-OD2 3.38Å; T103-D246 PolarHBondContact OG1-OD2 2.98Å; T103-R248 PolarHBondContact OG1-NH2 3.36Å
104V98.8Very high98.3Very high1 Ų138.9 Ų38.91%0.00620%0.198CC..Hα-helixtrans-62.1-38177-670000112.9F79 A102 L108 L183 V210 P225 L242F79-V104 HydrophobicContact CD1-CG2 3.58Å; F79-V104 HydrophobicContact CE1-CG2 3.61Å; A102-V104 VanDerWaalsContact C-N 3.29Å; A102-V104 HydrophobicContact CB-CG2 4.23Å; A102-V104 PolarHBondContact O-N 2.97Å; V104-L108 WeakPolarHBondContact O-CG 3.43Å; V104-L108 PolarHBondContact O-N 3.31Å; V104-L183 HydrophobicContact CB-CD1 4.01Å; V104-L183 HydrophobicContact CG2-CD1 3.67Å; V104-V210 HydrophobicContact CG1-CG1 3.26Å; V104-P225 HydrophobicContact CG1-CB 4.15Å; V104-P225 HydrophobicContact CG1-CG 4.31Å; V104-L242 HydrophobicContact CB-CD2 3.85Å; V104-L242 HydrophobicContact CG1-CD2 4.16Å; V104-L242 WeakPolarHBondContact O-CD2 3.49Å
105V98.9Very high98.3Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-66.4-47.8175.1174.40000109.4V75 F79 T81 N101 A102 T103 K107 L108 L109 L183V75-V105 HydrophobicContact CG1-CG2 3.84Å; V75-V105 HydrophobicContact CG2-CG2 4.23Å; F79-V105 HydrophobicContact CB-CG2 4.14Å; T81-V105 HydrophobicContact CG2-CG1 4.07Å; T81-V105 HydrophobicContact CG2-CG2 4.17Å; N101-V105 HydrophobicContact CB-CB 4.49Å; N101-V105 HydrophobicContact CB-CG1 4.41Å; A102-V105 HydrophobicContact CB-CB 4.41Å; A102-V105 HydrophobicContact CB-CG2 4.07Å; A102-V105 WeakPolarHBondContact O-CB 3.3Å; A102-V105 PolarHBondContact O-N 3.49Å; A102-V105 VanDerWaalsContact O-N 3.09Å; T103-V105 VanDerWaalsContact C-N 3.32Å; T103-V105 PolarHBondContact O-N 3.22Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.17Å; V105-L108 PolarHBondContact O-N 3.3Å; V105-L108 VanDerWaalsContact O-N 3.17Å; V105-L109 HydrophobicContact CG1-CD1 3.87Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.24Å; V105-L109 PolarHBondContact O-N 2.58Å; V105-L183 HydrophobicContact CG2-CD1 4.14Å
106Q98.8Very high98.5Very high60 Ų6028.4 Ų28.428%0.2815%0.147SC..Hα-helixtrans-59.2-44.4179.9-171615400111.7N101 A102 T103 L108 L109 D110N101-Q106 HydrophobicContact CB-CB 4.1Å; N101-Q106 PolarHBondContact ND2-OE1 2.9Å; A102-Q106 PolarHBondContact O-N 3.43Å; T103-Q106 PolarHBondContact O-N 2.94Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.48Å; Q106-L109 PolarHBondContact O-N 3.12Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; Q106-D110 PolarHBondContact NE2-OD1 2.87Å; Q106-D110 WeakPolarHBondContact O-CB 3.4Å; Q106-D110 PolarHBondContact O-N 3.25Å
107K98.4Very high98.5Very high44 Ų4426.7 Ų26.719%0.19114%0.141CC..Hα-helixtrans-56.8-41.8176.3-74.8-175.4174-169.90112.2T103 V105 D110 Q111 V241 L242 Q243T103-K107 HydrophobicContact CG2-CD 4.39Å; T103-K107 HydrophobicContact CG2-CG 4.42Å; T103-K107 WeakPolarHBondContact O-CG 3.16Å; T103-K107 PolarHBondContact O-N 3.38Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-K107 PolarHBondContact O-N 3.17Å; K107-D110 PolarHBondContact O-N 2.83Å; K107-Q111 WeakPolarHBondContact O-CG 3.34Å; K107-Q111 PolarHBondContact O-N 2.88Å; K107-V241 HydrophobicContact CB-CG1 4.39Å; K107-L242 HydrophobicContact CB-CD2 4.2Å; K107-L242 PolarHBondContact NZ-O 2.79Å; K107-Q243 PolarHBondContact NZ-O 2.88Å
108L98.6Very high98.5Very high0 Ų023.5 Ų23.50%012%0.121CC..Hα-helixtrans-67.8-42.1176-66174.2000112.4L68 F73 V104 V105 Q106 D110 Q111 G112 A113 L181 L183 V241 L242L68-L108 HydrophobicContact CD1-CD2 3.53Å; F73-L108 HydrophobicContact CD2-CB 4.44Å; F73-L108 HydrophobicContact CD2-CD1 3.48Å; F73-L108 VanDerWaalsContact CD2-CD1 3.48Å; F73-L108 HydrophobicContact CE1-CB 4.26Å; F73-L108 HydrophobicContact CE2-CB 4.01Å; F73-L108 HydrophobicContact CE2-CD1 3.57Å; F73-L108 HydrophobicContact CE2-CG 4.45Å; F73-L108 HydrophobicContact CG-CD1 4.14Å; F73-L108 HydrophobicContact CZ-CB 3.93Å; F73-L108 HydrophobicContact CZ-CD1 4.34Å; V104-L108 WeakPolarHBondContact O-CG 3.43Å; V104-L108 PolarHBondContact O-N 3.31Å; V105-L108 PolarHBondContact O-N 3.3Å; V105-L108 VanDerWaalsContact O-N 3.17Å; Q106-L108 VanDerWaalsContact C-N 3.3Å; Q106-L108 PolarHBondContact O-N 3.48Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.92Å; L108-Q111 WeakPolarHBondContact O-CB 3.34Å; L108-Q111 PolarHBondContact O-N 3.29Å; L108-G112 PolarHBondContact O-N 2.78Å; L108-A113 HydrophobicContact CB-CB 4.25Å; L108-A113 VanDerWaalsContact O-CB 3.25Å; L108-A113 WeakPolarHBondContact O-CB 3.44Å; L108-A113 PolarHBondContact O-N 2.86Å; L108-A113 VanDerWaalsContact O-N 3.11Å; L108-L181 HydrophobicContact CD1-CD2 4.22Å; L108-L181 HydrophobicContact CD2-CD2 3.85Å; L108-L183 HydrophobicContact CD1-CD1 3.89Å; L108-L183 HydrophobicContact CD1-CD2 4.12Å; L108-L183 HydrophobicContact CD1-CG 3.98Å; L108-V241 HydrophobicContact CD2-CG1 4.24Å; L108-L242 HydrophobicContact CD1-CD2 4.46Å; L108-L242 HydrophobicContact CD2-CD2 4.15Å; L108-L242 HydrophobicContact CD2-CG 4.49Å; L108-L242 HydrophobicContact CG-CD2 3.96Å
109L98.6Very high98.6Very high25 Ų2523.5 Ų23.513%0.13112%0.121CC..Hα-helixtrans-62.5-37.4175.7-64.6174.1000111.9F73 V105 Q106 Q111 G112F73-L109 HydrophobicContact CE1-CD2 4.33Å; F73-L109 HydrophobicContact CZ-CD2 4.11Å; F73-L109 HydrophobicContact CZ-CG 4.49Å; V105-L109 HydrophobicContact CG1-CD1 3.87Å; V105-L109 HydrophobicContact CG1-CG 4.24Å; V105-L109 VanDerWaalsContact O-CG 3.31Å; V105-L109 WeakPolarHBondContact O-CG 3.24Å; V105-L109 PolarHBondContact O-N 2.58Å; Q106-L109 PolarHBondContact O-N 3.12Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; L109-Q111 VanDerWaalsContact C-N 3.27Å; L109-Q111 PolarHBondContact O-N 2.85Å; L109-G112 PolarHBondContact O-N 3.45Å
110D98.3Very high98.7Very high83 Ų8318.6 Ų18.644%0.4449%0.089SC..Hα-helixtrans-68.3-27.3177.3-68-19.4000112.1K65 Q106 K107 L108 G112K65-D110 WeakPolarHBondContact CD-O 3.17Å; Q106-D110 PolarHBondContact NE2-OD1 2.87Å; Q106-D110 WeakPolarHBondContact O-CB 3.4Å; Q106-D110 PolarHBondContact O-N 3.25Å; K107-D110 PolarHBondContact O-N 2.83Å; L108-D110 VanDerWaalsContact C-N 3.29Å; L108-D110 PolarHBondContact O-N 2.92Å; D110-G112 PolarHBondContact O-N 3.04Å
111Q97.4Very high98.7Very high47 Ų4714.4 Ų14.422%0.227%0.073CC..THydrogen-bonded Turntrans-77.3-2.3169-66-60.3-67.900113.9K65 L68 D69 K107 L108 L109 A113 V241K65-Q111 WeakPolarHBondContact CB-O 3.44Å; L68-Q111 CarbonylContact C-O 3.57Å; L68-Q111 HydrophobicContact CB-CB 4.03Å; D69-Q111 WeakPolarHBondContact CA-O 3.2Å; D69-Q111 WeakPolarHBondContact CB-O 3.39Å; D69-Q111 PolarHBondContact N-O 2.87Å; K107-Q111 WeakPolarHBondContact O-CG 3.34Å; K107-Q111 PolarHBondContact O-N 2.88Å; L108-Q111 WeakPolarHBondContact O-CB 3.34Å; L108-Q111 PolarHBondContact O-N 3.29Å; L109-Q111 VanDerWaalsContact C-N 3.27Å; L109-Q111 PolarHBondContact O-N 2.85Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-V241 HydrophobicContact CG-CB 4.36Å; Q111-V241 HydrophobicContact CG-CG1 3.47Å; Q111-V241 VanDerWaalsContact CG-CG1 3.47Å; Q111-V241 HydrophobicContact CG-CG2 3.92Å
112G98.1Very high98.6Very high4 Ų413.1 Ų13.14%0.0417%0.066CC..THydrogen-bonded Turntrans79.213.9-177.900000114.4G70 L108 L109 D110G70-G112 PolarHBondContact N-O 3.19Å; L108-G112 PolarHBondContact O-N 2.78Å; L109-G112 PolarHBondContact O-N 3.45Å; D110-G112 PolarHBondContact O-N 3.04Å
113A98.6Very high98.6Very high2 Ų213.4 Ų13.42%0.0177%0.067CC..  trans-64.4151.9175.600000111.4L68 F73 L108 Q111L68-A113 HydrophobicContact CB-CB 4.25Å; L68-A113 VanDerWaalsContact O-CA 3.29Å; L68-A113 WeakPolarHBondContact O-CA 3.23Å; L68-A113 PolarHBondContact O-N 3.4Å; F73-A113 HydrophobicContact CD1-CB 3.49Å; F73-A113 VanDerWaalsContact CD1-CB 3.49Å; F73-A113 HydrophobicContact CE1-CB 3.69Å; F73-A113 HydrophobicContact CG-CB 4.42Å; L108-A113 HydrophobicContact CB-CB 4.25Å; L108-A113 VanDerWaalsContact O-CB 3.25Å; L108-A113 WeakPolarHBondContact O-CB 3.44Å; L108-A113 PolarHBondContact O-N 2.86Å; L108-A113 VanDerWaalsContact O-N 3.11Å; Q111-A113 VanDerWaalsContact C-N 3.33Å
114V98.8Very high98.6Very high0 Ų013.3 Ų13.30%07%0.066CC..EExtended strand (participates in β ladder)trans-104.1113.7-172.8177.30000110C24 A48 Q51 A52 I71 P72 F73 M116C24-V114 HydrophobicContact CB-CG1 4.49Å; A48-V114 HydrophobicContact CB-CG1 3.86Å; A48-V114 VanDerWaalsContact O-CG1 3.3Å; A48-V114 WeakPolarHBondContact O-CG1 3.46Å; Q51-V114 HydrophobicContact CB-CG1 4.33Å; Q51-V114 HydrophobicContact CB-CG2 4.14Å; A52-V114 HydrophobicContact CB-CG1 4.39Å; A52-V114 HydrophobicContact CB-CG2 4.13Å; I71-V114 PolarHBondContact O-N 2.88Å; P72-V114 CarbonylContact C-O 3.51Å; P72-V114 WeakPolarHBondContact CA-O 3.4Å; F73-V114 VanDerWaalsContact CD1-C 3.43Å; F73-V114 VanDerWaalsContact CD1-O 3.23Å; F73-V114 WeakPolarHBondContact CD1-O 3.32Å; F73-V114 PolarHBondContact N-O 2.91Å; V114-M116 HydrophobicContact CG1-SD 4.29Å; V114-M116 PolarHBondContact O-N 2.83Å
115L98.9Very high98.6Very high2 Ų213.4 Ų13.41%0.017%0.067CC..EExtended strand (participates in β ladder)trans-77.7113.7-178177.261.3000110.3T44 F47 A48 F73 V75 T81 I84T44-L115 PolarHBondContact OG1-O 3.15Å; F47-L115 HydrophobicContact CD1-CB 4.24Å; F47-L115 HydrophobicContact CD1-CD2 4.42Å; F47-L115 HydrophobicContact CE1-CB 4.06Å; F47-L115 HydrophobicContact CE1-CD2 4.14Å; A48-L115 VanDerWaalsContact CB-O 3.3Å; A48-L115 WeakPolarHBondContact CB-O 3.46Å; F73-L115 HydrophobicContact CD2-CD1 4.28Å; F73-L115 HydrophobicContact CE1-CB 3.78Å; F73-L115 HydrophobicContact CE1-CD1 4.44Å; F73-L115 HydrophobicContact CE2-CD1 3.79Å; F73-L115 HydrophobicContact CZ-CB 3.8Å; F73-L115 HydrophobicContact CZ-CD1 3.87Å; F73-L115 HydrophobicContact CZ-CG 4.36Å; V75-L115 HydrophobicContact CB-CD1 4.2Å; V75-L115 HydrophobicContact CG2-CD1 3.56Å; T81-L115 HydrophobicContact CG2-CD2 4.48Å; I84-L115 HydrophobicContact CD1-CD2 3.63Å
116M98.9Very high98.5Very high0 Ų013.5 Ų13.50%07%0.068CC..EExtended strand (participates in β ladder)trans-81.6-32.4179.9-62.2-56-62.100113.1C27 L28 I31 Y40 T44 A48 P72 F73 V114C27-M116 HydrophobicContact CB-CE 3.54Å; C27-M116 HydrophobicContact CB-SD 4.34Å; L28-M116 HydrophobicContact CB-CE 4.45Å; L28-M116 HydrophobicContact CD2-CE 3.66Å; L28-M116 HydrophobicContact CG-CE 3.62Å; I31-M116 HydrophobicContact CD1-CB 4.35Å; I31-M116 HydrophobicContact CD1-CE 3.76Å; Y40-M116 HydrophobicContact CE1-CB 4.35Å; T44-M116 PolarHBondContact N-O 3.33Å; T44-M116 PolarHBondContact OG1-O 3.03Å; T44-M116 VanDerWaalsContact OG1-O 3.11Å; A48-M116 HydrophobicContact CB-SD 4.26Å; P72-M116 HydrophobicContact CB-CG 3.69Å; P72-M116 HydrophobicContact CB-SD 3.79Å; P72-M116 HydrophobicContact CG-SD 4.47Å; F73-M116 WeakPolarHBondContact O-CB 3.45Å; F73-M116 PolarHBondContact O-N 3.26Å; V114-M116 HydrophobicContact CG1-SD 4.29Å; V114-M116 PolarHBondContact O-N 2.83Å
117G98.8Very high98.4Very high0 Ų010.9 Ų10.90%06%0.056CC..EExtended strand (participates in β ladder)trans160.2-176.117800000114.3T42 T44 V75T42-G117 CarbonylContact O-C 3.58Å; T42-G117 WeakPolarHBondContact O-CA 3.36Å; T44-G117 PolarHBondContact OG1-N 3.13Å; V75-G117 PolarHBondContact N-O 3.45Å; V75-G117 VanDerWaalsContact N-O 3.08Å
118K98.9Very high98.3Very high0 Ų08.9 Ų8.90%05%0.048CC..EExtended strand (participates in β ladder)trans-97.2120178.2-50-59.7-61.4-60.10110.3Y40 I41 T42 V75 D77 F79 T81 I84 R85 T86Y40-K118 CarbonylContact C-O 3.32Å; Y40-K118 WeakPolarHBondContact CA-O 3.44Å; I41-K118 PolarHBondContact N-O 2.87Å; T42-K118 PolarHBondContact N-O 2.81Å; T42-K118 PolarHBondContact O-N 3.28Å; V75-K118 CarbonylContact O-C 3.59Å; V75-K118 WeakPolarHBondContact O-CA 3.39Å; D77-K118 HydrophobicContact CB-CB 4.1Å; D77-K118 VanDerWaalsContact OD1-CB 3.22Å; D77-K118 WeakPolarHBondContact OD1-CB 3.36Å; D77-K118 WeakPolarHBondContact OD1-CE 3.2Å; D77-K118 IonicContact OD1-NZ 3.03Å; D77-K118 PolarHBondContact OD1-NZ 2.96Å; F79-K118 PolarHBondContact O-NZ 3.1Å; F79-K118 VanDerWaalsContact O-NZ 3.13Å; T81-K118 HydrophobicContact CG2-CD 3.73Å; T81-K118 WeakPolarHBondContact OG1-CD 3.44Å; T81-K118 WeakPolarHBondContact OG1-CE 3.49Å; T81-K118 PolarHBondContact OG1-NZ 3.32Å; I84-K118 HydrophobicContact CG2-CD 4.11Å; I84-K118 HydrophobicContact CG2-CG 3.9Å; R85-K118 PolarHBondContact O-NZ 3.43Å; R85-K118 VanDerWaalsContact O-NZ 3.12Å; T86-K118 PolarHBondContact OG1-NZ 3.5Å
119T98.9Very high98.1Very high0 Ų08.9 Ų8.90%05%0.049CC..EExtended strand (participates in β ladder)trans-85.8146.1-174.451.30000112.4A39 Y40 A74 V75 K76 D77 S170 A173A39-T119 CarbonylContact O-C 3.49Å; A39-T119 WeakPolarHBondContact O-CA 3.42Å; A39-T119 WeakPolarHBondContact O-CB 3.43Å; Y40-T119 HydrophobicContact CD1-CG2 3.97Å; Y40-T119 HydrophobicContact CE1-CG2 3.88Å; A74-T119 HydrophobicContact CB-CG2 3.68Å; V75-T119 VanDerWaalsContact C-OG1 3.32Å; V75-T119 PolarHBondContact O-N 2.99Å; V75-T119 PolarHBondContact O-OG1 3.48Å; K76-T119 WeakPolarHBondContact CA-OG1 3.25Å; K76-T119 PolarHBondContact N-OG1 3.11Å; K76-T119 VanDerWaalsContact N-OG1 3.16Å; D77-T119 VanDerWaalsContact CB-O 3.29Å; D77-T119 WeakPolarHBondContact CB-O 3.31Å; D77-T119 PolarHBondContact N-O 3.18Å; D77-T119 VanDerWaalsContact N-O 3.1Å; T119-S170 PolarHBondContact OG1-OG 2.63Å; T119-A173 HydrophobicContact CG2-CB 4.1Å
120N98.9Very high98.1Very high0 Ų07.8 Ų7.80%04%0.043CC..PPolyproline II helixtrans-71.8157.7-179.6-163.59.4000111.8N38 A39 I41 G136 V138 G169N38-N120 PolarHBondContact ND2-ND2 3.41Å; N38-N120 VanDerWaalsContact ND2-ND2 3.14Å; N38-N120 VanDerWaalsContact O-CB 3.29Å; N38-N120 WeakPolarHBondContact O-CB 3.39Å; N38-N120 PolarHBondContact O-ND2 3.25Å; A39-N120 PolarHBondContact O-N 3.3Å; I41-N120 HydrophobicContact CD1-CB 4.31Å; I41-N120 HydrophobicContact CG1-CB 3.8Å; N120-G136 PolarHBondContact ND2-O 2.89Å; N120-V138 HydrophobicContact CB-CG2 3.67Å; N120-G169 VanDerWaalsContact O-CA 3.27Å; N120-G169 WeakPolarHBondContact O-CA 3.31Å; N120-G169 PolarHBondContact O-N 3.17Å; N120-G169 VanDerWaalsContact O-N 3.08Å
121M98.8Very high98Very high1 Ų14.5 Ų4.51%0.0053%0.026CC..  trans-161.1168-169.655.3-179.3-73.300111.6K76 D77 N78 A89 A125 S166K76-M121 HydrophobicContact CD-SD 4.23Å; K76-M121 HydrophobicContact CG-CB 4.18Å; K76-M121 HydrophobicContact CG-CG 4.44Å; K76-M121 HydrophobicContact CG-SD 3.65Å; D77-M121 HydrophobicContact CB-SD 4.34Å; N78-M121 HydrophobicContact CB-CE 3.8Å; N78-M121 HydrophobicContact CB-SD 3.79Å; A89-M121 HydrophobicContact CB-CG 3.7Å; A89-M121 WeakPolarHBondContact CB-O 3.48Å; M121-A125 HydrophobicContact CE-CB 3.81Å; M121-S166 VanDerWaalsContact CA-O 3.24Å; M121-S166 WeakPolarHBondContact CA-O 3.25Å; M121-S166 WeakPolarHBondContact CB-O 3.45Å
122D98.4Very high97.6Very high0 Ų04.1 Ų4.10%03%0.025CC..SBendtrans-65148162-67-67000110.7F124 A125 G127 S130 T131 D132 S166D122-F124 PolarHBondContact O-N 2.9Å; D122-A125 PolarHBondContact O-N 3.34Å; D122-G127 WeakPolarHBondContact OD2-CA 3.38Å; D122-S130 VanDerWaalsContact CG-CA 3.42Å; D122-S130 VanDerWaalsContact CG-N 3.34Å; D122-S130 VanDerWaalsContact OD1-CA 3.23Å; D122-S130 WeakPolarHBondContact OD1-CA 3.47Å; D122-S130 PolarHBondContact OD1-N 3.05Å; D122-S130 VanDerWaalsContact OD2-CA 3.27Å; D122-S130 WeakPolarHBondContact OD2-CA 3.38Å; D122-S130 PolarHBondContact OD2-N 2.84Å; D122-T131 PolarHBondContact OD1-N 3.22Å; D122-D132 PolarHBondContact OD1-N 3.34Å; D122-S166 PolarHBondContact N-O 3.26Å; D122-S166 WeakPolarHBondContact OD2-CA 3.48Å
123E98.6Very high97.4Very high6 Ų64.4 Ų4.43%0.0283%0.028CC..G310 helixtrans-54.6123.6-178-165.4-177.8168.200111.3C88 S90 A125 M126 N364 V367C88-E123 WeakPolarHBondContact O-CA 3.23Å; S90-E123 VanDerWaalsContact CB-OE1 3.23Å; S90-E123 WeakPolarHBondContact CB-OE1 3.41Å; S90-E123 PolarHBondContact OG-OE1 3.45Å; E123-A125 PolarHBondContact O-N 3.33Å; E123-M126 WeakPolarHBondContact O-CB 3.19Å; E123-M126 PolarHBondContact O-N 2.66Å; E123-N364 WeakPolarHBondContact OE2-CB 3.23Å; E123-N364 PolarHBondContact OE2-N 2.92Å; E123-N364 VanDerWaalsContact OE2-N 3.1Å; E123-N364 PolarHBondContact OE2-ND2 3.49Å; E123-N364 PolarHBondContact OE2-OD1 2.95Å; E123-V367 HydrophobicContact CB-CG2 4.38Å; E123-V367 HydrophobicContact CG-CG2 4.11Å
124F98.6Very high97.4Very high5 Ų56.6 Ų6.62%0.0225%0.046CC..G310 helixtrans49.631.8-176.3-74-76.1000114.6C88 S90 M92 L93 D122 M126 I216 M333 F336 F363 V367C88-F124 HydrophobicContact CB-CD1 3.67Å; C88-F124 HydrophobicContact CB-CE1 3.72Å; C88-F124 HydrophobicContact CB-CG 4.09Å; C88-F124 HydrophobicContact CB-CZ 4.16Å; C88-F124 PolarHBondContact O-N 2.89Å; S90-F124 VanDerWaalsContact OG-CE2 3.3Å; S90-F124 WeakPolarHBondContact OG-CE2 3.5Å; M92-F124 HydrophobicContact CB-CE2 4.1Å; M92-F124 HydrophobicContact CB-CZ 4.25Å; M92-F124 HydrophobicContact CG-CZ 4.35Å; L93-F124 HydrophobicContact CD1-CE1 3.72Å; L93-F124 HydrophobicContact CD1-CZ 3.68Å; L93-F124 HydrophobicContact CG-CZ 4Å; D122-F124 PolarHBondContact O-N 2.9Å; F124-M126 HydrophobicContact CB-CE 3.89Å; F124-M126 HydrophobicContact CB-CG 4.39Å; F124-M126 PolarHBondContact O-N 3.02Å; F124-I216 HydrophobicContact CD1-CG2 4.19Å; F124-I216 HydrophobicContact CE1-CG2 4.06Å; F124-M333 HydrophobicContact CB-CE 4.44Å; F124-M333 HydrophobicContact CD1-CE 4.03Å; F124-M333 HydrophobicContact CD1-SD 3.94Å; F124-M333 HydrophobicContact CE1-SD 4.28Å; F124-M333 HydrophobicContact CG-CE 4.39Å; F124-M333 HydrophobicContact CG-SD 4.08Å; F124-F336 HydrophobicContact CD1-CE2 4.43Å; F124-F336 HydrophobicContact CE1-CD2 4.39Å; F124-F336 HydrophobicContact CE1-CE1 4.21Å; F124-F336 AromaticContact CE1-CE2 3.69Å; F124-F336 HydrophobicContact CE1-CE2 3.69Å; F124-F336 AromaticContact CE1-CZ 3.58Å; F124-F336 HydrophobicContact CE1-CZ 3.58Å; F124-F336 HydrophobicContact CZ-CD2 4.36Å; F124-F336 HydrophobicContact CZ-CE1 4.35Å; F124-F336 HydrophobicContact CZ-CE2 4.09Å; F124-F336 HydrophobicContact CZ-CZ 4.09Å; F124-F363 HydrophobicContact CD2-CD1 4.12Å; F124-F363 AromaticContact CD2-CE1 3.96Å; F124-F363 HydrophobicContact CD2-CE1 3.96Å; F124-F363 AromaticContact CE2-CD1 3.7Å; F124-F363 HydrophobicContact CE2-CD1 3.7Å; F124-F363 AromaticContact CE2-CE1 3.34Å; F124-F363 HydrophobicContact CE2-CE1 3.34Å; F124-F363 AromaticContact CZ-CE1 3.87Å; F124-F363 HydrophobicContact CZ-CE1 3.87Å; F124-V367 HydrophobicContact CB-CG2 4.43Å; F124-V367 HydrophobicContact CD2-CG2 4.25Å
125A98.3Very high97.4Very high3 Ų39.3 Ų9.33%0.0256%0.058CC..G310 helixtrans6617.1-177.600000114.6M121 D122 E123 G127 S166 L218M121-A125 HydrophobicContact CE-CB 3.81Å; D122-A125 PolarHBondContact O-N 3.34Å; E123-A125 PolarHBondContact O-N 3.33Å; A125-G127 PolarHBondContact O-N 2.91Å; A125-S166 VanDerWaalsContact CA-OG 3.26Å; A125-S166 WeakPolarHBondContact CA-OG 3.33Å; A125-S166 VanDerWaalsContact CB-OG 3.27Å; A125-S166 WeakPolarHBondContact CB-OG 3.31Å; A125-S166 WeakPolarHBondContact O-CB 3.45Å; A125-S166 PolarHBondContact O-OG 2.93Å; A125-L218 HydrophobicContact CB-CD2 4.25Å
126M97.9Very high97.3Very high2 Ų210.4 Ų10.41%0.017%0.07CC..  trans-96.171.7-175.1-57.7-168.2-158.800112.8E123 F124 L218 V329 M333 V366 V367 R370 N432E123-M126 WeakPolarHBondContact O-CB 3.19Å; E123-M126 PolarHBondContact O-N 2.66Å; F124-M126 HydrophobicContact CB-CE 3.89Å; F124-M126 HydrophobicContact CB-CG 4.39Å; F124-M126 PolarHBondContact O-N 3.02Å; M126-L218 HydrophobicContact CE-CD1 3.56Å; M126-L218 HydrophobicContact CG-CD1 3.5Å; M126-L218 VanDerWaalsContact CG-CD1 3.5Å; M126-L218 HydrophobicContact SD-CD1 4.07Å; M126-V329 HydrophobicContact CE-CB 4.42Å; M126-V329 HydrophobicContact CE-CG1 3.65Å; M126-V329 HydrophobicContact CE-CG2 3.81Å; M126-V329 HydrophobicContact SD-CG1 4.41Å; M126-M333 HydrophobicContact CE-CE 4.11Å; M126-M333 HydrophobicContact CE-CG 4.26Å; M126-M333 HydrophobicContact CE-SD 4.21Å; M126-V366 HydrophobicContact CB-CG1 3.95Å; M126-V367 HydrophobicContact CE-CB 4.48Å; M126-V367 HydrophobicContact CE-CG1 4.05Å; M126-V367 HydrophobicContact CE-CG2 4.18Å; M126-V367 HydrophobicContact SD-CB 4.16Å; M126-V367 HydrophobicContact SD-CG1 4.35Å; M126-V367 HydrophobicContact SD-CG2 3.77Å; M126-R370 HydrophobicContact SD-CB 4.29Å; M126-R370 HydrophobicContact SD-CG 4.12Å; M126-N432 PolarHBondContact O-ND2 3.48Å
127G95.7Very high97.2Very high4 Ų412.1 Ų12.14%0.0418%0.081CC..  trans175.7174.1174.500000112.6D122 A125 G165 S166D122-G127 WeakPolarHBondContact OD2-CA 3.38Å; A125-G127 PolarHBondContact O-N 2.91Å; G127-G165 CarbonylContact O-C 3.45Å; G127-G165 VanDerWaalsContact O-C 3.3Å; G127-S166 PolarHBondContact O-N 3.32Å
128A95.6Very high97.2Very high2 Ų212.1 Ų12.12%0.0178%0.081CC..SBendtrans-125.59.7-174.800000113.4G164 G165 E439A128-G164 CarbonylContact O-C 3.3Å; A128-G164 VanDerWaalsContact O-CA 3.26Å; A128-G164 WeakPolarHBondContact O-CA 3.48Å; A128-G165 PolarHBondContact O-N 3.02Å; A128-E439 HydrophobicContact CB-CB 3.62Å; A128-E439 HydrophobicContact CB-CG 3.97Å
129G96Very high97.2Very high1 Ų115.4 Ų15.41%0.019%0.094CC..SBendtrans-130.3-10.1-178.900000115.5T131 G164G129-T131 PolarHBondContact O-N 3.4Å; G129-G164 CarbonylContact C-O 3.57Å
130S97.7Very high97.1Very high2 Ų215.4 Ų15.41%0.0149%0.094CC..SBendtrans54.142.5-167-49.90000112D122 P137 V138 G164 G168D122-S130 VanDerWaalsContact CG-CA 3.42Å; D122-S130 VanDerWaalsContact CG-N 3.34Å; D122-S130 VanDerWaalsContact OD1-CA 3.23Å; D122-S130 WeakPolarHBondContact OD1-CA 3.47Å; D122-S130 PolarHBondContact OD1-N 3.05Å; D122-S130 VanDerWaalsContact OD2-CA 3.27Å; D122-S130 WeakPolarHBondContact OD2-CA 3.38Å; D122-S130 PolarHBondContact OD2-N 2.84Å; S130-P137 WeakPolarHBondContact O-CA 3.41Å; S130-V138 PolarHBondContact O-N 3.23Å; S130-G164 PolarHBondContact N-O 3.28Å; S130-G164 PolarHBondContact OG-O 2.97Å; S130-G168 WeakPolarHBondContact OG-CA 3.49Å; S130-G168 PolarHBondContact OG-N 2.57Å
131T95.4Very high97Very high13 Ų1315.7 Ų15.78%0.0810%0.096CC..  trans-111.4-25.1-175.456.20000113.4D122 G129 P137 I162 Y424 F427D122-T131 PolarHBondContact OD1-N 3.22Å; G129-T131 PolarHBondContact O-N 3.4Å; T131-P137 HydrophobicContact CG2-CB 4.42Å; T131-I162 HydrophobicContact CG2-CG2 4.02Å; T131-Y424 HydrophobicContact CG2-CD2 3.77Å; T131-Y424 HydrophobicContact CG2-CE2 3.67Å; T131-F427 HydrophobicContact CG2-CD1 4.21Å; T131-F427 HydrophobicContact CG2-CE1 4.29Å
132D90.1Very high96.8Very high40 Ų4016 Ų1621%0.21410%0.097CC..SBendtrans-99.77.3-164.2-58.2-18.8000113D122 N364 N432 R435D122-D132 PolarHBondContact OD1-N 3.34Å; D132-N364 PolarHBondContact O-ND2 2.79Å; D132-N364 VanDerWaalsContact O-ND2 3.11Å; D132-N432 PolarHBondContact OD2-ND2 3.27Å; D132-R435 IonicContact OD1-NH1 2.64Å; D132-R435 IonicContact OD1-NH2 2.75Å; D132-R435 PolarHBondContact OD1-NH2 3.18Å; D132-R435 IonicContact OD2-NH2 3.98Å; D132-R435 PolarHBondContact OD2-NH2 3.01Å
133G94.7Very high96.6Very high10 Ų1016 Ų1610%0.10310%0.097CC..SBendtrans-78.4151.4-179.400000114.2F135 G136G133-F135 PolarHBondContact O-N 3.11Å; G133-F135 VanDerWaalsContact O-N 3.08Å; G133-G136 PolarHBondContact O-N 2.99Å
134A97.5Very high96.2Very high47 Ų4716.7 Ų16.739%0.38810%0.099SC..THydrogen-bonded Turntrans-65.3-13.3-178.100000114.6A89 K91A89-A134 WeakPolarHBondContact O-CB 3.37Å; A89-A134 PolarHBondContact O-N 3.11Å; K91-A134 HydrophobicContact CG-CB 3.91Å
135F98.1Very high95.6Very high57 Ų5716.4 Ų16.425%0.2510%0.098CC..THydrogen-bonded Turntrans-101.614.1-179.3-61.7-93.4000112.8N38 I41 T87 A89 K94 G133N38-F135 PolarHBondContact ND2-O 3.29Å; I41-F135 HydrophobicContact CD1-CB 4.43Å; I41-F135 HydrophobicContact CD1-CD2 3.87Å; I41-F135 HydrophobicContact CD1-CE2 4.36Å; I41-F135 HydrophobicContact CD1-CG 4.17Å; I41-F135 HydrophobicContact CG1-CB 4.1Å; I41-F135 HydrophobicContact CG1-CD2 4.3Å; I41-F135 HydrophobicContact CG1-CG 4.08Å; I41-F135 HydrophobicContact CG2-CD1 3.83Å; I41-F135 HydrophobicContact CG2-CD2 4.35Å; I41-F135 HydrophobicContact CG2-CE1 3.83Å; I41-F135 HydrophobicContact CG2-CE2 4.35Å; I41-F135 HydrophobicContact CG2-CG 4.09Å; I41-F135 HydrophobicContact CG2-CZ 4.09Å; T87-F135 HydrophobicContact CG2-CE2 4.31Å; T87-F135 HydrophobicContact CG2-CZ 3.91Å; T87-F135 WeakPolarHBondContact OG1-CE2 3.44Å; A89-F135 HydrophobicContact CB-CD2 4.21Å; K94-F135 HydrophobicContact CB-CZ 4.48Å; K94-F135 HydrophobicContact CG-CE1 4.49Å; K94-F135 HydrophobicContact CG-CZ 4.03Å; G133-F135 PolarHBondContact O-N 3.11Å; G133-F135 VanDerWaalsContact O-N 3.08Å
136G97.6Very high94.8Very high26 Ų2617.8 Ų17.827%0.26811%0.109SC..  trans81.9167.618000000113.4N38 N120 G133N38-G136 PolarHBondContact ND2-O 3.04Å; N120-G136 PolarHBondContact ND2-O 2.89Å; G133-G136 PolarHBondContact O-N 2.99Å
137P97.7Very high94Very high36 Ų3618.8 Ų18.823%0.23412%0.116CC..PPolyproline II helixtrans-73.6157.3-172.431.1-36.9000112.3N38 S130 T131 W160 Y424N38-P137 WeakPolarHBondContact CB-O 3.32Å; N38-P137 PolarHBondContact ND2-O 3.29Å; S130-P137 WeakPolarHBondContact O-CA 3.41Å; T131-P137 HydrophobicContact CG2-CB 4.42Å; P137-W160 HydrophobicContact CB-CH2 3.78Å; P137-W160 HydrophobicContact CB-CZ2 4.44Å; P137-W160 HydrophobicContact CG-CH2 3.96Å; P137-W160 HydrophobicContact CG-CZ2 4.12Å; P137-Y424 HydrophobicContact CB-CE2 4.07Å; P137-Y424 HydrophobicContact CG-CE2 4.33Å
138V98.6Very high93.4Very high0 Ų018.9 Ų18.90%012%0.115CC..PPolyproline II helixtrans-96.6128.2170.6-168.70000109.8L37 N120 S130 T163 A172L37-V138 WeakPolarHBondContact O-CA 3.02Å; L37-V138 WeakPolarHBondContact O-CG1 3.46Å; N120-V138 HydrophobicContact CB-CG2 3.67Å; S130-V138 PolarHBondContact O-N 3.23Å; V138-T163 HydrophobicContact CB-CG2 4.24Å; V138-T163 HydrophobicContact CG1-CG2 3.77Å; V138-A172 HydrophobicContact CG1-CB 3.95Å
139R97.8Very high92.8Very high69 Ų6921 Ų2126%0.2612%0.123SC..BIsolated β-bridgetrans-92.5140.7177.7-50-171-179-161.2-1111.2R36 L37 Y144 D157 W160R36-R139 WeakPolarHBondContact O-CD 3.45Å; L37-R139 HydrophobicContact CD2-CB 4.35Å; L37-R139 PolarHBondContact O-N 2.98Å; R139-Y144 HydrophobicContact CB-CE2 4.46Å; R139-Y144 VanDerWaalsContact CD-OH 3.3Å; R139-Y144 WeakPolarHBondContact CD-OH 3.3Å; R139-Y144 PolarHBondContact NH1-OH 3.5Å; R139-Y144 VanDerWaalsContact NH1-OH 3.09Å; R139-D157 PolarHBondContact NH1-O 3.36Å; R139-D157 VanDerWaalsContact NH1-O 3.14Å; R139-W160 HydrophobicContact CB-CD2 4.16Å; R139-W160 HydrophobicContact CB-CE3 3.83Å; R139-W160 HydrophobicContact CB-CZ3 4.26Å; R139-W160 HydrophobicContact CG-CD2 3.74Å; R139-W160 HydrophobicContact CG-CE3 3.74Å; R139-W160 HydrophobicContact CG-CG 4.3Å; R139-W160 HydrophobicContact CG-CH2 4.21Å; R139-W160 HydrophobicContact CG-CZ2 4.22Å; R139-W160 HydrophobicContact CG-CZ3 3.99Å
140N97.8Very high92Very high0 Ų026 Ų260%015%0.154CC..PPolyproline II helixtrans-72.2128.7179-167.4-35.7000111.3W142 S143 V161 I162 T163 L197N140-W142 PolarHBondContact O-N 3.43Å; N140-W142 VanDerWaalsContact O-N 3.16Å; N140-W142 WeakPolarHBondContact OD1-CB 3.3Å; N140-W142 PolarHBondContact OD1-N 2.91Å; N140-S143 WeakPolarHBondContact O-CB 3.33Å; N140-S143 PolarHBondContact O-N 3.31Å; N140-S143 PolarHBondContact O-OG 3.41Å; N140-V161 HydrophobicContact CB-CG2 3.71Å; N140-V161 WeakPolarHBondContact CB-O 3.49Å; N140-V161 PolarHBondContact N-O 3.48Å; N140-V161 VanDerWaalsContact N-O 3.14Å; N140-I162 WeakPolarHBondContact CB-O 3.4Å; N140-I162 PolarHBondContact ND2-O 3.11Å; N140-T163 VanDerWaalsContact CA-CG2 3.48Å; N140-T163 HydrophobicContact CB-CG2 3.98Å; N140-L197 PolarHBondContact ND2-O 3.29Å
141P96.1Very high91Very high6 Ų631.1 Ų31.14%0.03918%0.177CC..G310 helixtrans-51.5-35.6174.4-25.932.8000113.6L37 S143 Y144 A172 A175 I497L37-P141 HydrophobicContact CD1-CB 4.33Å; L37-P141 HydrophobicContact CD1-CG 3.93Å; P141-S143 PolarHBondContact O-N 3.45Å; P141-Y144 PolarHBondContact O-N 3.25Å; P141-A172 HydrophobicContact CG-CB 4.07Å; P141-A175 HydrophobicContact CB-CB 4.43Å; P141-A175 HydrophobicContact CG-CB 3.93Å; P141-I497 HydrophobicContact CB-CD1 3.64Å
142W95.1Very high90Very high7 Ų732.4 Ų32.43%0.02719%0.189CC..G310 helixtrans-64.4-19.8179.3-73.588.9000113.7N140 Y144 A145 Y148 C198 L460 L465 P466 F494 I497N140-W142 PolarHBondContact O-N 3.43Å; N140-W142 VanDerWaalsContact O-N 3.16Å; N140-W142 WeakPolarHBondContact OD1-CB 3.3Å; N140-W142 PolarHBondContact OD1-N 2.91Å; W142-Y144 PolarHBondContact O-N 3.39Å; W142-A145 HydrophobicContact CD2-CB 4.5Å; W142-A145 HydrophobicContact CE3-CB 3.86Å; W142-A145 HydrophobicContact CZ3-CB 4.42Å; W142-A145 WeakPolarHBondContact O-CB 3.27Å; W142-A145 PolarHBondContact O-N 3.27Å; W142-A145 VanDerWaalsContact O-N 3.1Å; W142-Y148 VanDerWaalsContact O-CB 3.28Å; W142-Y148 WeakPolarHBondContact O-CB 3.37Å; W142-C198 VanDerWaalsContact CD1-O 3.31Å; W142-C198 PolarHBondContact NE1-O 2.92Å; W142-L460 HydrophobicContact CE3-CD2 4.26Å; W142-L460 HydrophobicContact CH2-CD2 3.71Å; W142-L460 HydrophobicContact CZ2-CD2 4.47Å; W142-L460 HydrophobicContact CZ3-CD1 4.19Å; W142-L460 HydrophobicContact CZ3-CD2 3.58Å; W142-L465 HydrophobicContact CB-CD2 3.81Å; W142-P466 HydrophobicContact CD2-CG 3.61Å; W142-P466 HydrophobicContact CE3-CG 4.33Å; W142-P466 HydrophobicContact CG-CG 3.71Å; W142-P466 HydrophobicContact CZ2-CG 3.99Å; W142-P466 VanDerWaalsContact NE1-CG 3.32Å; W142-F494 HydrophobicContact CH2-CE1 4.28Å; W142-F494 AromaticContact CH2-CZ 3.9Å; W142-F494 HydrophobicContact CH2-CZ 3.9Å; W142-F494 AromaticContact CZ2-CE1 3.77Å; W142-F494 HydrophobicContact CZ2-CE1 3.77Å; W142-F494 AromaticContact CZ2-CZ 3.57Å; W142-F494 HydrophobicContact CZ2-CZ 3.57Å; W142-I497 HydrophobicContact CD2-CD1 4.1Å; W142-I497 HydrophobicContact CD2-CG1 4.21Å; W142-I497 HydrophobicContact CE3-CG1 4.44Å; W142-I497 HydrophobicContact CG-CD1 4.05Å; W142-I497 HydrophobicContact CH2-CB 4.48Å; W142-I497 HydrophobicContact CZ2-CB 4.11Å; W142-I497 HydrophobicContact CZ2-CG1 4.41Å
143S93.4Very high88.8Confident0 Ų033.4 Ų33.40%021%0.209CC..G310 helixtrans-58.2-19.1170.1-440000112.8N140 P141 R149 V161N140-S143 WeakPolarHBondContact O-CB 3.33Å; N140-S143 PolarHBondContact O-N 3.31Å; N140-S143 PolarHBondContact O-OG 3.41Å; P141-S143 PolarHBondContact O-N 3.45Å; S143-R149 VanDerWaalsContact O-CZ 3.31Å; S143-R149 PolarHBondContact O-NE 3.14Å; S143-R149 PolarHBondContact O-NH2 2.88Å; S143-V161 PolarHBondContact OG-N 2.88Å
144Y90.7Very high87.3Confident20 Ų2033.3 Ų33.38%0.07821%0.207CC..G310 helixtrans-115.43.2-178-54.9-80.2000112.9L37 R139 P141 W142L37-Y144 HydrophobicContact CD2-CD2 3.82Å; L37-Y144 HydrophobicContact CD2-CE2 3.63Å; R139-Y144 HydrophobicContact CB-CE2 4.46Å; R139-Y144 VanDerWaalsContact CD-OH 3.3Å; R139-Y144 WeakPolarHBondContact CD-OH 3.3Å; R139-Y144 PolarHBondContact NH1-OH 3.5Å; R139-Y144 VanDerWaalsContact NH1-OH 3.09Å; P141-Y144 PolarHBondContact O-N 3.25Å; W142-Y144 PolarHBondContact O-N 3.39Å
145A86.6Confident85.6Confident0 Ų035.9 Ų35.90%023%0.228CC..BIsolated β-bridgetrans-72.9149.1175.300000111W142 S147 Y148 R149 I497W142-A145 HydrophobicContact CD2-CB 4.5Å; W142-A145 HydrophobicContact CE3-CB 3.86Å; W142-A145 HydrophobicContact CZ3-CB 4.42Å; W142-A145 WeakPolarHBondContact O-CB 3.27Å; W142-A145 PolarHBondContact O-N 3.27Å; W142-A145 VanDerWaalsContact O-N 3.1Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.9Å; A145-Y148 PolarHBondContact O-N 2.97Å; A145-R149 WeakPolarHBondContact O-CG 3.5Å; A145-R149 PolarHBondContact O-N 3.01Å; A145-I497 HydrophobicContact CB-CD1 4.25Å; A145-I497 HydrophobicContact CB-CG1 3.88Å
146A81.1Confident84.1Confident32 Ų3235.7 Ų35.726%0.26423%0.234SC..Hα-helixtrans-60.7-37.2178.300000112.7Y148 T150 S498 C500A146-Y148 PolarHBondContact O-N 3.18Å; A146-T150 WeakPolarHBondContact O-CB 3.28Å; A146-T150 VanDerWaalsContact O-CG2 3.31Å; A146-T150 WeakPolarHBondContact O-CG2 3.4Å; A146-T150 PolarHBondContact O-N 3.29Å; A146-T150 PolarHBondContact O-OG1 3.41Å; A146-S498 PolarHBondContact N-O 2.67Å; A146-C500 WeakPolarHBondContact CA-SG 3.26Å; A146-C500 VanDerWaalsContact CB-SG 3.54Å
147S80.9Confident82.8Confident22 Ų2239.1 Ų39.115%0.15425%0.246CC..Hα-helixtrans-54.8-53.5176.854.30000111.2A145 T150 Q151 G464A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.9Å; S147-T150 PolarHBondContact O-OG1 2.79Å; S147-Q151 VanDerWaalsContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 VanDerWaalsContact O-CG 3.25Å; S147-Q151 WeakPolarHBondContact O-CG 3.18Å; S147-Q151 PolarHBondContact O-N 3.48Å; S147-Q151 VanDerWaalsContact O-N 3.1Å; S147-G464 PolarHBondContact OG-O 3.3Å
148Y82.9Confident81.7Confident6 Ų640.7 Ų40.72%0.02426%0.258CS..Hα-helixtrans-68.5-47.1-178.6-179.5-110.8000113.1W142 A145 A146 T150 Q151 A152 A154 V161 R463 L465W142-Y148 VanDerWaalsContact O-CB 3.28Å; W142-Y148 WeakPolarHBondContact O-CB 3.37Å; A145-Y148 PolarHBondContact O-N 2.97Å; A146-Y148 PolarHBondContact O-N 3.18Å; Y148-T150 VanDerWaalsContact C-N 3.26Å; Y148-T150 PolarHBondContact O-N 3.32Å; Y148-Q151 PolarHBondContact O-N 3.24Å; Y148-A152 HydrophobicContact CD2-CB 3.75Å; Y148-A152 HydrophobicContact CE2-CB 3.48Å; Y148-A152 VanDerWaalsContact CE2-CB 3.48Å; Y148-A152 HydrophobicContact CG-CB 4.41Å; Y148-A152 VanDerWaalsContact O-CB 3.23Å; Y148-A152 WeakPolarHBondContact O-CB 3.47Å; Y148-A152 PolarHBondContact O-N 2.89Å; Y148-A154 HydrophobicContact CD1-CB 4.45Å; Y148-A154 HydrophobicContact CE1-CB 3.87Å; Y148-V161 HydrophobicContact CE1-CG1 4.5Å; Y148-V161 HydrophobicContact CE2-CG1 4.17Å; Y148-V161 WeakPolarHBondContact OH-CG1 3.14Å; Y148-R463 VanDerWaalsContact CA-O 3.27Å; Y148-R463 WeakPolarHBondContact CA-O 3.42Å; Y148-R463 HydrophobicContact CD2-CB 4.39Å; Y148-R463 VanDerWaalsContact CD2-O 3.29Å; Y148-R463 WeakPolarHBondContact CD2-O 3.47Å; Y148-R463 HydrophobicContact CE2-CB 4.49Å; Y148-L465 HydrophobicContact CD2-CD1 3.88Å; Y148-L465 HydrophobicContact CD2-CD2 3.52Å; Y148-L465 HydrophobicContact CD2-CG 3.57Å; Y148-L465 HydrophobicContact CE2-CD1 3.77Å; Y148-L465 HydrophobicContact CE2-CD2 4.11Å; Y148-L465 HydrophobicContact CE2-CG 4.02Å; Y148-L465 HydrophobicContact CG-CD2 3.81Å; Y148-L465 HydrophobicContact CG-CG 4.35Å
149R82.8Confident81Confident46 Ų4644 Ų4417%0.17428%0.276CS..Hα-helixtrans-63-33.3-176.7-70.8-68.5-177.4169.81.3113.1S143 A145 A154 S156 D157S143-R149 VanDerWaalsContact O-CZ 3.31Å; S143-R149 PolarHBondContact O-NE 3.14Å; S143-R149 PolarHBondContact O-NH2 2.88Å; A145-R149 WeakPolarHBondContact O-CG 3.5Å; A145-R149 PolarHBondContact O-N 3.01Å; R149-A154 WeakPolarHBondContact CD-O 3.49Å; R149-A154 PolarHBondContact NH1-O 3.23Å; R149-S156 PolarHBondContact NH1-O 3.06Å; R149-D157 IonicContact NH2-OD1 3.45Å
150T79.2Confident80.8Confident107 Ų10741.2 Ų41.266%0.65627%0.266SS*.Hα-helixtrans-81.5-41.9178.355.80000112.3A146 S147 Y148A146-T150 WeakPolarHBondContact O-CB 3.28Å; A146-T150 VanDerWaalsContact O-CG2 3.31Å; A146-T150 WeakPolarHBondContact O-CG2 3.4Å; A146-T150 PolarHBondContact O-N 3.29Å; A146-T150 PolarHBondContact O-OG1 3.41Å; S147-T150 PolarHBondContact O-OG1 2.79Å; Y148-T150 VanDerWaalsContact C-N 3.26Å; Y148-T150 PolarHBondContact O-N 3.32Å
151Q77.7Confident80.7Confident110 Ų11041.2 Ų41.251%0.51427%0.266SS..Hα-helixtrans-82.4-35.2-173.3-67.5174.2-16.700113.5S147 Y148 Q462 R463S147-Q151 VanDerWaalsContact O-CB 3.27Å; S147-Q151 WeakPolarHBondContact O-CB 3.4Å; S147-Q151 VanDerWaalsContact O-CG 3.25Å; S147-Q151 WeakPolarHBondContact O-CG 3.18Å; S147-Q151 PolarHBondContact O-N 3.48Å; S147-Q151 VanDerWaalsContact O-N 3.1Å; Y148-Q151 PolarHBondContact O-N 3.24Å; Q151-Q462 WeakPolarHBondContact CB-O 3.29Å; Q151-Q462 PolarHBondContact OE1-O 3.24Å; Q151-Q462 VanDerWaalsContact OE1-O 3.12Å; Q151-R463 VanDerWaalsContact OE1-C 3.29Å
152A74.1Confident80.8Confident40 Ų4041 Ų4133%0.33126%0.264SS..SBendtrans-86.6-5.9-178.400000113.8Y148 A154Y148-A152 HydrophobicContact CD2-CB 3.75Å; Y148-A152 HydrophobicContact CE2-CB 3.48Å; Y148-A152 VanDerWaalsContact CE2-CB 3.48Å; Y148-A152 HydrophobicContact CG-CB 4.41Å; Y148-A152 VanDerWaalsContact O-CB 3.23Å; Y148-A152 WeakPolarHBondContact O-CB 3.47Å; Y148-A152 PolarHBondContact O-N 2.89Å; A152-A154 HydrophobicContact CB-CB 4.29Å; A152-A154 PolarHBondContact O-N 3.46Å; A152-A154 VanDerWaalsContact O-N 3.13Å
153G64.2Low81Confident61 Ų6140.6 Ų40.663%0.62926%0.262SS*.  trans61.916.4-172.800000113.9A155G153-A155 PolarHBondContact O-N 3.01Å
154A64.1Low81.2Confident8 Ų840.6 Ų40.67%0.06626%0.262CS..  trans-69.888.3-176.300000110.7Y148 R149 A152 D159Y148-A154 HydrophobicContact CD1-CB 4.45Å; Y148-A154 HydrophobicContact CE1-CB 3.87Å; R149-A154 WeakPolarHBondContact CD-O 3.49Å; R149-A154 PolarHBondContact NH1-O 3.23Å; A152-A154 HydrophobicContact CB-CB 4.29Å; A152-A154 PolarHBondContact O-N 3.46Å; A152-A154 VanDerWaalsContact O-N 3.13Å; A154-D159 HydrophobicContact CB-CB 3.94Å
155A60.8Low81.5Confident100 Ų10039.7 Ų39.783%0.82626%0.259SS*.  trans-85.9-22.1-177.900000113.2G153G153-A155 PolarHBondContact O-N 3.01Å
156S66.4Low82.1Confident54 Ų5439.7 Ų39.738%0.37826%0.259SS..SBendtrans-98.5152.7-174.6-178.60000112.8R149 S158 D159R149-S156 PolarHBondContact NH1-O 3.06Å; S156-S158 VanDerWaalsContact CB-OG 3.25Å; S156-S158 WeakPolarHBondContact CB-OG 3.38Å; S156-S158 PolarHBondContact O-N 2.83Å; S156-S158 PolarHBondContact OG-N 2.95Å; S156-S158 PolarHBondContact OG-OG 3.32Å; S156-D159 PolarHBondContact O-N 3.03Å
157D71.6Confident82.9Confident97 Ų9738.1 Ų38.152%0.51925%0.246SC..THydrogen-bonded Turntrans-74.4-5.3172-116.18.5000113.2R139 R149R139-D157 PolarHBondContact NH1-O 3.36Å; R139-D157 VanDerWaalsContact NH1-O 3.14Å; R149-D157 IonicContact NH2-OD1 3.45Å
158S73.4Confident83.8Confident70 Ų7037.1 Ų37.149%0.4924%0.239SC..THydrogen-bonded Turntrans-78-20.8168.855.40000113.4S156 W160S156-S158 VanDerWaalsContact CB-OG 3.25Å; S156-S158 WeakPolarHBondContact CB-OG 3.38Å; S156-S158 PolarHBondContact O-N 2.83Å; S156-S158 PolarHBondContact OG-N 2.95Å; S156-S158 PolarHBondContact OG-OG 3.32Å; S158-W160 PolarHBondContact O-N 2.95Å
159D83.8Confident84.5Confident68 Ų6836.8 Ų36.836%0.36424%0.238SC..  trans-97.468.6-168.4-54.4-14.6000109.3A154 S156A154-D159 HydrophobicContact CB-CB 3.94Å; S156-D159 PolarHBondContact O-N 3.03Å
160W93.9Very high85.3Confident12 Ų1234.6 Ų34.65%0.04523%0.229CC..  trans-118153.8178.861.5-88.3000111.2P137 R139 S158 Y424P137-W160 HydrophobicContact CB-CH2 3.78Å; P137-W160 HydrophobicContact CB-CZ2 4.44Å; P137-W160 HydrophobicContact CG-CH2 3.96Å; P137-W160 HydrophobicContact CG-CZ2 4.12Å; R139-W160 HydrophobicContact CB-CD2 4.16Å; R139-W160 HydrophobicContact CB-CE3 3.83Å; R139-W160 HydrophobicContact CB-CZ3 4.26Å; R139-W160 HydrophobicContact CG-CD2 3.74Å; R139-W160 HydrophobicContact CG-CE3 3.74Å; R139-W160 HydrophobicContact CG-CG 4.3Å; R139-W160 HydrophobicContact CG-CH2 4.21Å; R139-W160 HydrophobicContact CG-CZ2 4.22Å; R139-W160 HydrophobicContact CG-CZ3 3.99Å; S158-W160 PolarHBondContact O-N 2.95Å; W160-Y424 HydrophobicContact CD2-CG 4.33Å; W160-Y424 AromaticContact CE2-CD1 3.83Å; W160-Y424 AromaticContact CE2-CG 3.76Å; W160-Y424 HydrophobicContact CE3-CG 4.3Å; W160-Y424 AromaticContact CH2-CD1 3.82Å; W160-Y424 HydrophobicContact CH2-CD1 3.82Å; W160-Y424 AromaticContact CH2-CD2 3.01Å; W160-Y424 HydrophobicContact CH2-CD2 3.01Å; W160-Y424 HydrophobicContact CH2-CE1 4.26Å; W160-Y424 AromaticContact CH2-CE2 3.51Å; W160-Y424 HydrophobicContact CH2-CE2 3.51Å; W160-Y424 AromaticContact CH2-CG 3.15Å; W160-Y424 HydrophobicContact CH2-CG 3.15Å; W160-Y424 AromaticContact CZ2-CD1 3.3Å; W160-Y424 HydrophobicContact CZ2-CD1 3.3Å; W160-Y424 AromaticContact CZ2-CD2 3.48Å; W160-Y424 HydrophobicContact CZ2-CD2 3.48Å; W160-Y424 VanDerWaalsContact CZ2-CD2 3.48Å; W160-Y424 AromaticContact CZ2-CE1 3.72Å; W160-Y424 HydrophobicContact CZ2-CE1 3.72Å; W160-Y424 AromaticContact CZ2-CE2 3.84Å; W160-Y424 HydrophobicContact CZ2-CE2 3.84Å; W160-Y424 AromaticContact CZ2-CG 3.15Å; W160-Y424 HydrophobicContact CZ2-CG 3.15Å; W160-Y424 AromaticContact CZ2-CZ 3.96Å; W160-Y424 AromaticContact CZ3-CD2 3.7Å; W160-Y424 HydrophobicContact CZ3-CD2 3.7Å; W160-Y424 AromaticContact CZ3-CG 3.76Å; W160-Y424 HydrophobicContact CZ3-CG 3.76Å; W160-Y424 WeakPolarHBondContact O-CB 3.2Å; W160-Y424 PolarHBondContact O-N 3.32Å
161V96.9Very high86.3Confident0 Ų029.5 Ų29.50%020%0.198CC..BIsolated β-bridgetrans-105.5153.3-176.6-58.60000111.3N140 S143 Y148 A421 A422 L465N140-V161 HydrophobicContact CB-CG2 3.71Å; N140-V161 WeakPolarHBondContact CB-O 3.49Å; N140-V161 PolarHBondContact N-O 3.48Å; N140-V161 VanDerWaalsContact N-O 3.14Å; S143-V161 PolarHBondContact OG-N 2.88Å; Y148-V161 HydrophobicContact CE1-CG1 4.5Å; Y148-V161 HydrophobicContact CE2-CG1 4.17Å; Y148-V161 WeakPolarHBondContact OH-CG1 3.14Å; V161-A421 HydrophobicContact CB-CB 3.86Å; V161-A421 HydrophobicContact CG2-CB 3.74Å; V161-A422 VanDerWaalsContact CA-O 3.26Å; V161-A422 WeakPolarHBondContact CA-O 3.38Å; V161-A422 VanDerWaalsContact CB-O 3.3Å; V161-A422 WeakPolarHBondContact CB-O 3.24Å; V161-L465 HydrophobicContact CG1-CD1 3.9Å; V161-L465 HydrophobicContact CG2-CD1 4.24Å; V161-L465 HydrophobicContact CG2-CD2 3.92Å
162I97.9Very high87.2Confident0 Ų024.3 Ų24.30%017%0.174CC..BIsolated β-bridgetrans-67.5159.2-179.660.1154.1000112.1T131 N140 L197 A422 Y424 F427T131-I162 HydrophobicContact CG2-CG2 4.02Å; N140-I162 WeakPolarHBondContact CB-O 3.4Å; N140-I162 PolarHBondContact ND2-O 3.11Å; I162-L197 HydrophobicContact CD1-CD1 4.19Å; I162-L197 HydrophobicContact CG1-CD1 4.48Å; I162-A422 HydrophobicContact CG1-CB 4.44Å; I162-A422 PolarHBondContact N-O 3.01Å; I162-Y424 HydrophobicContact CG2-CD2 4.32Å; I162-F427 HydrophobicContact CD1-CD1 4.26Å; I162-F427 HydrophobicContact CD1-CD2 3.57Å; I162-F427 HydrophobicContact CD1-CE1 4.19Å; I162-F427 HydrophobicContact CD1-CE2 3.47Å; I162-F427 VanDerWaalsContact CD1-CE2 3.47Å; I162-F427 HydrophobicContact CD1-CG 3.96Å; I162-F427 HydrophobicContact CD1-CZ 3.8Å; I162-F427 HydrophobicContact CG1-CD2 4.43Å; I162-F427 HydrophobicContact CG1-CG 4.5Å; I162-F427 HydrophobicContact CG2-CB 4.04Å; I162-F427 HydrophobicContact CG2-CD1 3.79Å; I162-F427 HydrophobicContact CG2-CE1 4.44Å; I162-F427 HydrophobicContact CG2-CG 3.89Å
163T98.3Very high88.4Confident0 Ų022.4 Ų22.40%016%0.158CC..  trans-88.2-5.1176.444.80000113.6V138 N140 G168 A172 P194 C198V138-T163 HydrophobicContact CB-CG2 4.24Å; V138-T163 HydrophobicContact CG1-CG2 3.77Å; N140-T163 VanDerWaalsContact CA-CG2 3.48Å; N140-T163 HydrophobicContact CB-CG2 3.98Å; T163-G168 VanDerWaalsContact OG1-CA 3.3Å; T163-G168 WeakPolarHBondContact OG1-CA 3.42Å; T163-A172 HydrophobicContact CG2-CB 4.1Å; T163-P194 WeakPolarHBondContact O-CA 3.47Å; T163-C198 PolarHBondContact O-SG 3.28Å; T163-C198 VanDerWaalsContact O-SG 3.33Å
164G98.1Very high90Very high0 Ų019.5 Ų19.50%013%0.128CC..  trans76.6177.8-158.300000112.2A128 G129 S130 N193A128-G164 CarbonylContact O-C 3.3Å; A128-G164 VanDerWaalsContact O-CA 3.26Å; A128-G164 WeakPolarHBondContact O-CA 3.48Å; G129-G164 CarbonylContact C-O 3.57Å; S130-G164 PolarHBondContact N-O 3.28Å; S130-G164 PolarHBondContact OG-O 2.97Å; G164-N193 WeakPolarHBondContact CA-OD1 3.23Å
165G97.5Very high91.6Very high0 Ų019.4 Ų19.40%013%0.127CC..SBendtrans-155.8160.4-17600000114.1G127 A128 S190 N193G127-G165 CarbonylContact O-C 3.45Å; G127-G165 VanDerWaalsContact O-C 3.3Å; A128-G165 PolarHBondContact O-N 3.02Å; G165-S190 VanDerWaalsContact O-CA 3.3Å; G165-S190 WeakPolarHBondContact O-CA 3.37Å; G165-N193 PolarHBondContact N-OD1 2.78Å
166S98.4Very high93.3Very high0 Ų014.7 Ų14.70%09%0.089CC..SBendcis-95.83.56.357.10000115.1K76 M121 D122 A125 G127 S190K76-S166 VanDerWaalsContact CE-O 3.23Å; K76-S166 WeakPolarHBondContact CE-O 3.39Å; K76-S166 PolarHBondContact NZ-O 3.29Å; K76-S166 PolarHBondContact NZ-OG 3.4Å; M121-S166 VanDerWaalsContact CA-O 3.24Å; M121-S166 WeakPolarHBondContact CA-O 3.25Å; M121-S166 WeakPolarHBondContact CB-O 3.45Å; D122-S166 PolarHBondContact N-O 3.26Å; D122-S166 WeakPolarHBondContact OD2-CA 3.48Å; A125-S166 VanDerWaalsContact CA-OG 3.26Å; A125-S166 WeakPolarHBondContact CA-OG 3.33Å; A125-S166 VanDerWaalsContact CB-OG 3.27Å; A125-S166 WeakPolarHBondContact CB-OG 3.31Å; A125-S166 WeakPolarHBondContact O-CB 3.45Å; A125-S166 PolarHBondContact O-OG 2.93Å; G127-S166 PolarHBondContact O-N 3.32Å; S166-S190 VanDerWaalsContact N-CB 3.33Å; S166-S190 PolarHBondContact N-OG 3Å; S166-S190 WeakPolarHBondContact OG-CB 3.48Å; S166-S190 PolarHBondContact OG-OG 3.31Å
167S98.8Very high94.7Very high0 Ų013.2 Ų13.20%08%0.078CC..SBendtrans-96.932.6-179.7-44.70000113.6K76 G169 S170 A171 S185 S190K76-S167 WeakPolarHBondContact CD-OG 3.22Å; K76-S167 WeakPolarHBondContact CE-OG 3.47Å; K76-S167 PolarHBondContact NZ-OG 2.56Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 3.02Å; S167-S170 WeakPolarHBondContact O-CB 2.94Å; S167-S170 PolarHBondContact O-N 2.86Å; S167-S170 VanDerWaalsContact O-N 3.09Å; S167-A171 PolarHBondContact O-N 3.15Å; S167-A171 VanDerWaalsContact O-N 3.11Å; S167-S185 PolarHBondContact OG-N 3.39Å; S167-S185 PolarHBondContact OG-O 3.19Å; S167-S190 WeakPolarHBondContact CB-O 3.43Å; S167-S190 PolarHBondContact N-O 2.83Å; S167-S190 VanDerWaalsContact N-O 3.1Å; S167-S190 PolarHBondContact OG-O 3Å
168G98.8Very high96Very high0 Ų08.6 Ų8.60%05%0.053CC..Hα-helixtrans-61.1-37-174.400000114.2S130 T163 S170 A171 A172S130-G168 WeakPolarHBondContact OG-CA 3.49Å; S130-G168 PolarHBondContact OG-N 2.57Å; T163-G168 VanDerWaalsContact OG1-CA 3.3Å; T163-G168 WeakPolarHBondContact OG1-CA 3.42Å; G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 3.05Å; G168-A171 PolarHBondContact O-N 2.95Å; G168-A172 VanDerWaalsContact O-CB 3.28Å; G168-A172 WeakPolarHBondContact O-CB 3.29Å; G168-A172 PolarHBondContact O-N 2.92Å
169G98.9Very high97.1Very high0 Ų05.2 Ų5.20%03%0.03CC..Hα-helixtrans-63.2-37.917400000112.9A39 N120 S167 A173A39-G169 WeakPolarHBondContact O-CA 3.29Å; N120-G169 VanDerWaalsContact O-CA 3.27Å; N120-G169 WeakPolarHBondContact O-CA 3.31Å; N120-G169 PolarHBondContact O-N 3.17Å; N120-G169 VanDerWaalsContact O-N 3.08Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 3.02Å; G169-A173 VanDerWaalsContact O-CB 3.23Å; G169-A173 WeakPolarHBondContact O-CB 3.47Å; G169-A173 PolarHBondContact O-N 2.8Å
170S98.9Very high97.8Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-65.5-44.1175.5-64.60000111.7T119 S167 G168 A173 V174 L183T119-S170 PolarHBondContact OG1-OG 2.63Å; S167-S170 WeakPolarHBondContact O-CB 2.94Å; S167-S170 PolarHBondContact O-N 2.86Å; S167-S170 VanDerWaalsContact O-N 3.09Å; G168-S170 VanDerWaalsContact C-N 3.33Å; G168-S170 PolarHBondContact O-N 3.05Å; S170-A173 PolarHBondContact O-N 2.94Å; S170-V174 WeakPolarHBondContact O-CG2 3.44Å; S170-V174 PolarHBondContact O-N 3.09Å; S170-L183 PolarHBondContact OG-O 3.02Å
171A98.8Very high98Very high0 Ų01.6 Ų1.60%01%0.011CC..Hα-helixtrans-65.7-45.9176.700000112.1S167 G168 A173 V174 A175 P194 C198 V200 I228S167-A171 PolarHBondContact O-N 3.15Å; S167-A171 VanDerWaalsContact O-N 3.11Å; G168-A171 PolarHBondContact O-N 2.95Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 3.23Å; A171-V174 PolarHBondContact O-N 3.3Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.36Å; A171-A175 PolarHBondContact O-N 3.2Å; A171-P194 HydrophobicContact CB-CB 3.62Å; A171-C198 HydrophobicContact CB-CB 3.8Å; A171-V200 HydrophobicContact CB-CG2 4.21Å; A171-I228 HydrophobicContact CB-CD1 4.31Å
172A98.6Very high98.1Very high0 Ų01.6 Ų1.60%01%0.011CC..Hα-helixtrans-60.9-39.2176.200000112.4A39 V138 P141 T163 G168 S176A39-A172 HydrophobicContact CB-CB 4.01Å; V138-A172 HydrophobicContact CG1-CB 3.95Å; P141-A172 HydrophobicContact CG-CB 4.07Å; T163-A172 HydrophobicContact CG2-CB 4.1Å; G168-A172 VanDerWaalsContact O-CB 3.28Å; G168-A172 WeakPolarHBondContact O-CB 3.29Å; G168-A172 PolarHBondContact O-N 2.92Å; A172-S176 VanDerWaalsContact O-CB 3.23Å; A172-S176 WeakPolarHBondContact O-CB 3.21Å; A172-S176 PolarHBondContact O-N 2.81Å; A172-S176 PolarHBondContact O-OG 2.88Å
173A98.6Very high98.1Very high0 Ų01.6 Ų1.60%01%0.011CC..Hα-helixtrans-61.2-44.2177.500000112.6Y40 A74 T119 G169 S170 A171 S176 T178 S179Y40-A173 HydrophobicContact CE2-CB 3.99Å; Y40-A173 WeakPolarHBondContact OH-CB 3.31Å; A74-A173 HydrophobicContact CB-CB 4.38Å; T119-A173 HydrophobicContact CG2-CB 4.1Å; G169-A173 VanDerWaalsContact O-CB 3.23Å; G169-A173 WeakPolarHBondContact O-CB 3.47Å; G169-A173 PolarHBondContact O-N 2.8Å; S170-A173 PolarHBondContact O-N 2.94Å; A171-A173 VanDerWaalsContact C-N 3.32Å; A171-A173 PolarHBondContact O-N 3.23Å; A173-S176 PolarHBondContact O-OG 2.9Å; A173-T178 VanDerWaalsContact CA-OG1 3.23Å; A173-T178 WeakPolarHBondContact CA-OG1 3.41Å; A173-T178 PolarHBondContact O-N 2.92Å; A173-T178 PolarHBondContact O-OG1 3.33Å; A173-S179 PolarHBondContact O-N 2.77Å
174V98.4Very high98.1Very high0 Ų01.6 Ų1.60%01%0.011CC..Hα-helixtrans-72-46.8179.51730000111.4S170 A171 S176 C177 A182 V200 I228 T229 R230S170-V174 WeakPolarHBondContact O-CG2 3.44Å; S170-V174 PolarHBondContact O-N 3.09Å; A171-V174 PolarHBondContact O-N 3.3Å; V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 3.42Å; V174-C177 PolarHBondContact O-N 3.28Å; V174-C177 VanDerWaalsContact O-N 3.11Å; V174-A182 HydrophobicContact CG2-CB 3.63Å; V174-V200 HydrophobicContact CG1-CB 4.38Å; V174-V200 HydrophobicContact CG1-CG1 4.05Å; V174-I228 HydrophobicContact CB-CG2 4.18Å; V174-I228 HydrophobicContact CG1-CG2 4.36Å; V174-I228 HydrophobicContact CG2-CB 4.45Å; V174-I228 HydrophobicContact CG2-CG2 4.09Å; V174-T229 VanDerWaalsContact CG1-C 3.49Å; V174-R230 HydrophobicContact CG1-CG 3.73Å; V174-R230 PolarHBondContact O-NH1 3.06Å
175A97.3Very high98.2Very high6 Ų61.7 Ų1.75%0.051%0.011CC..Hα-helixtrans-61-39.2178.900000112.1P141 A171 C177 C198 V200 I497P141-A175 HydrophobicContact CB-CB 4.43Å; P141-A175 HydrophobicContact CG-CB 3.93Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.36Å; A171-A175 PolarHBondContact O-N 3.2Å; A175-C177 PolarHBondContact O-N 2.93Å; A175-C198 HydrophobicContact CB-CB 4.31Å; A175-V200 HydrophobicContact CB-CG1 3.67Å; A175-I497 WeakPolarHBondContact O-CG2 3.4Å
176S96.1Very high98.2Very high2 Ų21.7 Ų1.71%0.0141%0.011CC..THydrogen-bonded Turntrans-80.64.8177.961.80000114.8R30 A172 A173 V174 T178R30-S176 WeakPolarHBondContact CG-O 3.4Å; R30-S176 PolarHBondContact NE-O 2.79Å; A172-S176 VanDerWaalsContact O-CB 3.23Å; A172-S176 WeakPolarHBondContact O-CB 3.21Å; A172-S176 PolarHBondContact O-N 2.81Å; A172-S176 PolarHBondContact O-OG 2.88Å; A173-S176 PolarHBondContact O-OG 2.9Å; V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 3.42Å; S176-T178 PolarHBondContact O-N 3.01Å; S176-T178 WeakPolarHBondContact OG-CG2 3.49Å
177C96.1Very high98.2Very high22 Ų221.7 Ų1.715%0.1491%0.011CC..THydrogen-bonded Turntrans57.329.6-178.1-55.90000114L2 V174 A175 S179L2-C177 HydrophobicContact CB-CB 4Å; V174-C177 PolarHBondContact O-N 3.28Å; V174-C177 VanDerWaalsContact O-N 3.11Å; A175-C177 PolarHBondContact O-N 2.93Å; C177-S179 VanDerWaalsContact C-N 3.35Å
178T97.4Very high98.1Very high0 Ų01.7 Ų1.70%01%0.011CC..SBendtrans-84.4-16.9170.664.30000112.5C27 R30 I31 Y40 A173 S176C27-T178 WeakPolarHBondContact CB-O 3.36Å; R30-T178 HydrophobicContact CB-CG2 4.15Å; R30-T178 HydrophobicContact CG-CG2 3.72Å; I31-T178 HydrophobicContact CB-CG2 4.42Å; I31-T178 HydrophobicContact CG1-CG2 3.67Å; Y40-T178 WeakPolarHBondContact CE2-OG1 3.49Å; Y40-T178 PolarHBondContact OH-OG1 2.74Å; A173-T178 VanDerWaalsContact CA-OG1 3.23Å; A173-T178 WeakPolarHBondContact CA-OG1 3.41Å; A173-T178 PolarHBondContact O-N 2.92Å; A173-T178 PolarHBondContact O-OG1 3.33Å; S176-T178 PolarHBondContact O-N 3.01Å; S176-T178 WeakPolarHBondContact OG-CG2 3.49Å
179S97.5Very high98Very high0 Ų01.7 Ų1.70%01%0.011CC..  trans-143.5155.3175-166.20000110.2P72 F73 A74 A173 C177 L181 R230P72-S179 PolarHBondContact O-OG 3.46Å; F73-S179 VanDerWaalsContact C-OG 3.27Å; F73-S179 WeakPolarHBondContact CA-OG 3.48Å; A74-S179 PolarHBondContact N-OG 3.36Å; A74-S179 VanDerWaalsContact N-OG 3.12Å; A173-S179 PolarHBondContact O-N 2.77Å; C177-S179 VanDerWaalsContact C-N 3.35Å; S179-L181 PolarHBondContact OG-O 2.87Å; S179-R230 PolarHBondContact O-NH1 2.92Å
180Y97.9Very high98Very high1 Ų11.8 Ų1.80%0.0041%0.012CC..SBendtrans-93.6-29173.5-75-102.9000112.3M1 L2 L4 L6 V9 L23 P72M1-Y180 PolarHBondContact O-OH 2.81Å; L2-Y180 PolarHBondContact O-OH 2.89Å; L4-Y180 WeakPolarHBondContact O-CE1 3.45Å; L6-Y180 HydrophobicContact CD2-CD1 4.1Å; L6-Y180 HydrophobicContact CD2-CG 4.14Å; V9-Y180 HydrophobicContact CG2-CD1 4.21Å; V9-Y180 HydrophobicContact CG2-CE1 3.38Å; L23-Y180 HydrophobicContact CD1-CE2 3.82Å; L23-Y180 VanDerWaalsContact CD1-OH 3.3Å; L23-Y180 WeakPolarHBondContact CD1-OH 3.47Å; L23-Y180 HydrophobicContact CD2-CE2 3.87Å; L23-Y180 HydrophobicContact CG-CE2 4.16Å; P72-Y180 HydrophobicContact CB-CD2 4.26Å; P72-Y180 HydrophobicContact CG-CD2 4.16Å; P72-Y180 HydrophobicContact CG-CE2 4.38Å; P72-Y180 PolarHBondContact O-N 2.9Å; P72-Y180 VanDerWaalsContact O-N 3.11Å
181L97.9Very high98Very high2 Ų21.8 Ų1.81%0.011%0.012CC..EExtended strand (participates in β ladder)trans-135.3141.2178.4166.865.5000108.4L68 F73 A74 L108 S179 I227 I228 T229 A238L68-L181 HydrophobicContact CD1-CD2 4.44Å; F73-L181 CarbonylContact C-O 3.59Å; F73-L181 VanDerWaalsContact CA-O 3.23Å; F73-L181 WeakPolarHBondContact CA-O 3.28Å; F73-L181 HydrophobicContact CB-CB 4.23Å; F73-L181 HydrophobicContact CB-CD2 4.41Å; F73-L181 HydrophobicContact CB-CG 4.39Å; A74-L181 PolarHBondContact N-O 2.91Å; L108-L181 HydrophobicContact CD1-CD2 4.22Å; L108-L181 HydrophobicContact CD2-CD2 3.85Å; S179-L181 PolarHBondContact OG-O 2.87Å; L181-I227 HydrophobicContact CD1-CG2 3.73Å; L181-I228 WeakPolarHBondContact CA-O 3.34Å; L181-T229 HydrophobicContact CB-CG2 4.49Å; L181-T229 HydrophobicContact CD1-CG2 3.7Å; L181-A238 HydrophobicContact CD1-CB 3.7Å; L181-A238 HydrophobicContact CD2-CB 3.84Å; L181-A238 HydrophobicContact CG-CB 4.43Å
182A98.9Very high98Very high0 Ų01.8 Ų1.80%01%0.012CC..EExtended strand (participates in β ladder)trans-130.7140.7164.900000111.4A74 V174 I228A74-A182 HydrophobicContact CB-CB 4.11Å; A74-A182 CarbonylContact O-C 3.56Å; A74-A182 VanDerWaalsContact O-CA 3.25Å; A74-A182 WeakPolarHBondContact O-CA 3.47Å; V174-A182 HydrophobicContact CG2-CB 3.63Å; A182-I228 HydrophobicContact CB-CB 4.48Å; A182-I228 PolarHBondContact N-O 2.69Å; A182-I228 PolarHBondContact O-N 2.83Å
183L98.9Very high98Very high0 Ų01.8 Ų1.80%01%0.012CC..EExtended strand (participates in β ladder)trans-78.8129.6165.7-63.7-179.4000109.1A74 V75 K76 F79 V104 V105 L108 S170 L242A74-L183 PolarHBondContact O-N 3.03Å; V75-L183 HydrophobicContact CG1-CB 4.5Å; V75-L183 HydrophobicContact CG1-CD1 4.33Å; V75-L183 HydrophobicContact CG2-CD1 4.15Å; K76-L183 WeakPolarHBondContact CB-O 3.39Å; K76-L183 PolarHBondContact N-O 2.87Å; F79-L183 HydrophobicContact CD2-CB 4.38Å; F79-L183 HydrophobicContact CE2-CB 4.11Å; V104-L183 HydrophobicContact CB-CD1 4.01Å; V104-L183 HydrophobicContact CG2-CD1 3.67Å; V105-L183 HydrophobicContact CG2-CD1 4.14Å; L108-L183 HydrophobicContact CD1-CD1 3.89Å; L108-L183 HydrophobicContact CD1-CD2 4.12Å; L108-L183 HydrophobicContact CD1-CG 3.98Å; S170-L183 PolarHBondContact OG-O 3.02Å; L183-L242 HydrophobicContact CD2-CD1 3.75Å
184G98.8Very high98Very high0 Ų01.8 Ų1.80%01%0.012CC..EExtended strand (participates in β ladder)trans-113.6178.6167.300000110.7F79 G226F79-G184 VanDerWaalsContact CE2-O 3.28Å; F79-G184 WeakPolarHBondContact CE2-O 3.38Å; F79-G184 WeakPolarHBondContact CZ-O 3.31Å; G184-G226 PolarHBondContact N-O 2.87Å; G184-G226 PolarHBondContact O-N 2.75Å
185S98.8Very high98Very high2 Ų21.8 Ų1.81%0.0141%0.012CC..EExtended strand (participates in β ladder)trans-129.1141.3164.973.20000108.4K76 N78 S167 S190 T191K76-S185 PolarHBondContact NZ-OG 3.37Å; N78-S185 PolarHBondContact ND2-OG 3.46Å; S167-S185 PolarHBondContact OG-N 3.39Å; S167-S185 PolarHBondContact OG-O 3.19Å; S185-S190 CarbonylContact O-C 3.58Å; S185-S190 VanDerWaalsContact O-C 3.27Å; S185-S190 WeakPolarHBondContact O-CB 3.39Å; S185-T191 VanDerWaalsContact C-OG1 3.29Å; S185-T191 PolarHBondContact N-OG1 2.89Å; S185-T191 PolarHBondContact O-OG1 3.21Å
186D98.8Very high98Very high0 Ų01.5 Ų1.50%01%0.01CC..EExtended strand (participates in β ladder)trans-128.8110.7-177-162.2-55.3000109.7G189 S190 T191 R192 K204 V224 N447D186-G189 WeakPolarHBondContact OD1-CA 3.25Å; D186-G189 PolarHBondContact OD1-N 2.77Å; D186-G189 VanDerWaalsContact OD2-C 3.26Å; D186-S190 PolarHBondContact OD2-N 3.08Å; D186-T191 WeakPolarHBondContact OD2-CB 3.23Å; D186-T191 PolarHBondContact OD2-N 3.5Å; D186-R192 IonicContact OD1-CZ 2.69Å; D186-R192 IonicContact OD1-NE 3.59Å; D186-R192 IonicContact OD1-NH2 3.63Å; D186-R192 PolarHBondContact OD1-NH2 2.85Å; D186-R192 IonicContact OD2-CZ 3.53Å; D186-R192 PolarHBondContact OD2-N 3.34Å; D186-R192 IonicContact OD2-NE 2.85Å; D186-R192 PolarHBondContact OD2-NE 2.93Å; D186-R192 IonicContact OD2-NH2 2.77Å; D186-K204 HydrophobicContact CB-CB 4.13Å; D186-K204 HydrophobicContact CB-CD 4Å; D186-K204 HydrophobicContact CB-CG 3.74Å; D186-V224 PolarHBondContact N-O 2.64Å; D186-V224 PolarHBondContact O-N 3.34Å; D186-N447 PolarHBondContact O-ND2 2.89Å; D186-N447 PolarHBondContact OD1-ND2 3.46Å; D186-N447 PolarHBondContact OD1-OD1 3.14Å
187T98.3Very high98.1Very high0 Ų01.5 Ų1.50%01%0.01CC..SBendtrans-109.3-33.4179.7-47.20000111.8L218 V219 M222 D223 Y321 N447T187-L218 HydrophobicContact CG2-CB 4.34Å; T187-L218 HydrophobicContact CG2-CD2 3.91Å; T187-L218 HydrophobicContact CG2-CG 4.17Å; T187-V219 HydrophobicContact CG2-CB 3.6Å; T187-V219 HydrophobicContact CG2-CG2 3.59Å; T187-M222 HydrophobicContact CG2-CB 4.12Å; T187-D223 WeakPolarHBondContact CB-OD1 3.27Å; T187-D223 WeakPolarHBondContact CG2-OD1 3.36Å; T187-D223 PolarHBondContact OG1-OD1 3.44Å; T187-Y321 HydrophobicContact CG2-CE2 4.13Å; T187-Y321 WeakPolarHBondContact CG2-OH 3.37Å; T187-Y321 WeakPolarHBondContact O-CE2 3.48Å; T187-N447 VanDerWaalsContact C-CG 3.48Å; T187-N447 WeakPolarHBondContact O-CB 3.47Å; T187-N447 PolarHBondContact O-ND2 3.1Å
188G96.4Very high98.2Very high0 Ų00.4 Ų0.40%00%0.003CC..SBendtrans-14312176.100000113.9T443 Q444 N447G188-T443 CarbonylContact O-C 3.1Å; G188-T443 PolarHBondContact O-OG1 2.93Å; G188-Q444 WeakPolarHBondContact O-CG 3.37Å; G188-Q444 PolarHBondContact O-N 3.5Å; G188-Q444 VanDerWaalsContact O-N 3.17Å; G188-N447 WeakPolarHBondContact CA-OD1 3.39Å
189G97.2Very high98.2Very high0 Ų01 Ų10%01%0.008CC..SBendtrans137.3-8.5-167.600000114D186 T191 R192 N193 T443D186-G189 WeakPolarHBondContact OD1-CA 3.25Å; D186-G189 PolarHBondContact OD1-N 2.77Å; D186-G189 VanDerWaalsContact OD2-C 3.26Å; G189-T191 CarbonylContact O-C 3.19Å; G189-T191 PolarHBondContact O-N 3.32Å; G189-R192 PolarHBondContact O-N 3.19Å; G189-N193 WeakPolarHBondContact O-CB 3.45Å; G189-N193 PolarHBondContact O-N 3.12Å; G189-T443 WeakPolarHBondContact CA-OG1 3.25Å
190S97.9Very high98.3Very high3 Ų31.1 Ų1.12%0.0211%0.009CC..THydrogen-bonded Turntrans-65.7-3.6-164.4-57.70000117.2G165 S166 S167 S185 D186 P194G165-S190 VanDerWaalsContact O-CA 3.3Å; G165-S190 WeakPolarHBondContact O-CA 3.37Å; S166-S190 VanDerWaalsContact N-CB 3.33Å; S166-S190 PolarHBondContact N-OG 3Å; S166-S190 WeakPolarHBondContact OG-CB 3.48Å; S166-S190 PolarHBondContact OG-OG 3.31Å; S167-S190 WeakPolarHBondContact CB-O 3.43Å; S167-S190 PolarHBondContact N-O 2.83Å; S167-S190 VanDerWaalsContact N-O 3.1Å; S167-S190 PolarHBondContact OG-O 3Å; S185-S190 CarbonylContact O-C 3.58Å; S185-S190 VanDerWaalsContact O-C 3.27Å; S185-S190 WeakPolarHBondContact O-CB 3.39Å; D186-S190 PolarHBondContact OD2-N 3.08Å; S190-P194 WeakPolarHBondContact O-CG 3.42Å
191T98.7Very high98.3Very high0 Ų01 Ų10%01%0.009CC..THydrogen-bonded Turntrans-106.7-45.2166.1-66.70000111S185 D186 G189 P194 G195 A202 I228S185-T191 VanDerWaalsContact C-OG1 3.29Å; S185-T191 PolarHBondContact N-OG1 2.89Å; S185-T191 PolarHBondContact O-OG1 3.21Å; D186-T191 WeakPolarHBondContact OD2-CB 3.23Å; D186-T191 PolarHBondContact OD2-N 3.5Å; G189-T191 CarbonylContact O-C 3.19Å; G189-T191 PolarHBondContact O-N 3.32Å; T191-P194 WeakPolarHBondContact O-CD 3.3Å; T191-G195 PolarHBondContact O-N 3.39Å; T191-G195 VanDerWaalsContact O-N 3.08Å; T191-A202 HydrophobicContact CG2-CB 3.85Å; T191-A202 VanDerWaalsContact O-CB 3.25Å; T191-A202 WeakPolarHBondContact O-CB 3.22Å; T191-I228 HydrophobicContact CG2-CD1 4.04Å; T191-I228 HydrophobicContact CG2-CG1 3.64Å
192R98.8Very high98.4Very high0 Ų01 Ų10%01%0.008CC..Hα-helixtrans-67.2-43.4-176.9-69.6165.4-67.9151.70.9113.7D186 G189 G195 A196 K204 T416 T443 N447 S455D186-R192 IonicContact OD1-CZ 2.69Å; D186-R192 IonicContact OD1-NE 3.59Å; D186-R192 IonicContact OD1-NH2 3.63Å; D186-R192 PolarHBondContact OD1-NH2 2.85Å; D186-R192 IonicContact OD2-CZ 3.53Å; D186-R192 PolarHBondContact OD2-N 3.34Å; D186-R192 IonicContact OD2-NE 2.85Å; D186-R192 PolarHBondContact OD2-NE 2.93Å; D186-R192 IonicContact OD2-NH2 2.77Å; G189-R192 PolarHBondContact O-N 3.19Å; R192-G195 PolarHBondContact O-N 3.19Å; R192-A196 PolarHBondContact O-N 3.11Å; R192-K204 HydrophobicContact CG-CB 4.49Å; R192-T416 HydrophobicContact CB-CG2 4.1Å; R192-T416 WeakPolarHBondContact O-CG2 3.46Å; R192-T443 HydrophobicContact CB-CG2 4.26Å; R192-T443 PolarHBondContact NH1-O 3.17Å; R192-T443 PolarHBondContact NH2-O 3.03Å; R192-N447 PolarHBondContact NH2-OD1 3.36Å; R192-S455 PolarHBondContact O-OG 2.92Å
193N98.2Very high98.4Very high0 Ų01 Ų10%01%0.008CC..Hα-helixtrans-59.4-52.6177.2170.9-72.3000110.9G164 G165 G189 G195 A196 L197 T417 E439G164-N193 WeakPolarHBondContact CA-OD1 3.23Å; G165-N193 PolarHBondContact N-OD1 2.78Å; G189-N193 WeakPolarHBondContact O-CB 3.45Å; G189-N193 PolarHBondContact O-N 3.12Å; N193-G195 VanDerWaalsContact C-N 3.28Å; N193-G195 PolarHBondContact O-N 3.45Å; N193-A196 PolarHBondContact O-N 2.98Å; N193-L197 PolarHBondContact O-N 3.45Å; N193-L197 VanDerWaalsContact O-N 3.07Å; N193-T417 WeakPolarHBondContact ND2-CG2 3.36Å; N193-E439 PolarHBondContact ND2-O 3.47Å; N193-E439 VanDerWaalsContact ND2-O 3.11Å; N193-E439 PolarHBondContact ND2-OE2 3.1Å
194P98.6Very high98.3Very high0 Ų01 Ų10%01%0.008CC..Hα-helixtrans-57.9-36.8172.3-26.631.5000115.1T163 A171 S190 T191 C198T163-P194 WeakPolarHBondContact O-CA 3.47Å; A171-P194 HydrophobicContact CB-CB 3.62Å; S190-P194 WeakPolarHBondContact O-CG 3.42Å; T191-P194 WeakPolarHBondContact O-CD 3.3Å; P194-C198 WeakPolarHBondContact O-CB 3.33Å; P194-C198 PolarHBondContact O-N 2.87Å; P194-C198 PolarHBondContact O-SG 3.26Å
195G98.4Very high98.3Very high0 Ų01 Ų10%01%0.008CC..Hα-helixtrans-60.5-48.7176.200000112.8T191 R192 N193 G199 V200T191-G195 PolarHBondContact O-N 3.39Å; T191-G195 VanDerWaalsContact O-N 3.08Å; R192-G195 PolarHBondContact O-N 3.19Å; N193-G195 VanDerWaalsContact C-N 3.28Å; N193-G195 PolarHBondContact O-N 3.45Å; G195-G199 PolarHBondContact O-N 3.37Å; G195-V200 CarbonylContact C-O 3.53Å; G195-V200 VanDerWaalsContact C-O 3.32Å; G195-V200 WeakPolarHBondContact CA-O 3.39Å; G195-V200 PolarHBondContact O-N 3.45Å
196A98.5Very high98.3Very high0 Ų01.1 Ų1.10%01%0.009CC..Hα-helixtrans-59.1-51.7176.600000111.5R192 N193 C198 G199 T416 T417 P466R192-A196 PolarHBondContact O-N 3.11Å; N193-A196 PolarHBondContact O-N 2.98Å; A196-C198 PolarHBondContact O-N 2.74Å; A196-G199 PolarHBondContact O-N 3.38Å; A196-T416 HydrophobicContact CB-CG2 3.59Å; A196-T417 HydrophobicContact CB-CG2 4.18Å; A196-P466 WeakPolarHBondContact O-CB 3.46Å
197L98.5Very high98.3Very high1 Ų13.9 Ų3.91%0.0052%0.02CC..Hα-helixtrans-72.4-26.7-173.6-62.5-170.5000113.6N140 I162 N193 T417 A421N140-L197 PolarHBondContact ND2-O 3.29Å; I162-L197 HydrophobicContact CD1-CD1 4.19Å; I162-L197 HydrophobicContact CG1-CD1 4.48Å; N193-L197 PolarHBondContact O-N 3.45Å; N193-L197 VanDerWaalsContact O-N 3.07Å; L197-T417 HydrophobicContact CD2-CG2 3.92Å; L197-T417 HydrophobicContact CG-CG2 4.14Å; L197-A421 HydrophobicContact CB-CB 4.18Å; L197-A421 HydrophobicContact CD1-CB 4.46Å; L197-A421 HydrophobicContact CD2-CB 4.19Å
198C98.3Very high98.3Very high0 Ų04 Ų40%02%0.021CC..Hα-helixtrans-94.5-0176.1-64.40000113.6W142 T163 A171 A175 P194 A196 V200W142-C198 VanDerWaalsContact CD1-O 3.31Å; W142-C198 PolarHBondContact NE1-O 2.92Å; T163-C198 PolarHBondContact O-SG 3.28Å; T163-C198 VanDerWaalsContact O-SG 3.33Å; A171-C198 HydrophobicContact CB-CB 3.8Å; A175-C198 HydrophobicContact CB-CB 4.31Å; P194-C198 WeakPolarHBondContact O-CB 3.33Å; P194-C198 PolarHBondContact O-N 2.87Å; P194-C198 PolarHBondContact O-SG 3.26Å; A196-C198 PolarHBondContact O-N 2.74Å; C198-V200 HydrophobicContact CB-CG2 4.29Å
199G97.6Very high98.3Very high11 Ų114 Ų411%0.1132%0.021CC..THydrogen-bonded Turntrans66.743.9178.400000113.6G195 A196G195-G199 PolarHBondContact O-N 3.37Å; A196-G199 PolarHBondContact O-N 3.38Å
200V98.3Very high98.3Very high3 Ų34.1 Ų4.12%0.0182%0.022CC..SBendtrans-134156.6179.5-66.10000110.9A171 V174 A175 G195 C198 I228 T229A171-V200 HydrophobicContact CB-CG2 4.21Å; V174-V200 HydrophobicContact CG1-CB 4.38Å; V174-V200 HydrophobicContact CG1-CG1 4.05Å; A175-V200 HydrophobicContact CB-CG1 3.67Å; G195-V200 CarbonylContact C-O 3.53Å; G195-V200 VanDerWaalsContact C-O 3.32Å; G195-V200 WeakPolarHBondContact CA-O 3.39Å; G195-V200 PolarHBondContact O-N 3.45Å; C198-V200 HydrophobicContact CB-CG2 4.29Å; V200-I228 HydrophobicContact CB-CG2 4.31Å; V200-I228 HydrophobicContact CG2-CG2 3.56Å; V200-T229 WeakPolarHBondContact CB-O 3.5Å
201V98.7Very high98.4Very high0 Ų04 Ų40%02%0.021CC..EExtended strand (participates in β ladder)trans-72.4130.6176.2176.90000109.4I228 T229 V232 A235 V454 S455 E489V201-I228 WeakPolarHBondContact O-CA 3.38Å; V201-T229 PolarHBondContact N-O 3.36Å; V201-T229 PolarHBondContact O-N 3.33Å; V201-T229 VanDerWaalsContact O-O 3.11Å; V201-V232 HydrophobicContact CG1-CG2 3.96Å; V201-V232 HydrophobicContact CG2-CG2 3.92Å; V201-A235 HydrophobicContact CG1-CB 4.3Å; V201-V454 HydrophobicContact CG1-CG2 3.86Å; V201-S455 WeakPolarHBondContact CA-O 3.37Å; V201-E489 WeakPolarHBondContact CG2-OE1 3.27Å
202A98.8Very high98.4Very high0 Ų05.6 Ų5.60%03%0.027CC..EExtended strand (participates in β ladder)trans-136.7108.5-178.500000111.3T191 I227 I228 V454 S455T191-A202 HydrophobicContact CG2-CB 3.85Å; T191-A202 VanDerWaalsContact O-CB 3.25Å; T191-A202 WeakPolarHBondContact O-CB 3.22Å; A202-I227 CarbonylContact C-O 3.55Å; A202-I227 WeakPolarHBondContact CA-O 3.44Å; A202-I228 HydrophobicContact CB-CG1 4.24Å; A202-V454 WeakPolarHBondContact O-CA 3.39Å; A202-S455 PolarHBondContact N-O 2.91Å; A202-S455 PolarHBondContact O-N 2.93Å
203L98.9Very high98.4Very high0 Ų07.8 Ų7.80%04%0.037CC..EExtended strand (participates in β ladder)trans-99.1127.5-178.6174.165.2000110.6P205 G226 I227 A235 L239 V454 L482L203-P205 HydrophobicContact CD2-CG 4.33Å; L203-P205 HydrophobicContact CG-CG 4.18Å; L203-G226 WeakPolarHBondContact O-CA 3.41Å; L203-I227 HydrophobicContact CB-CB 4.33Å; L203-I227 HydrophobicContact CD2-CD1 4.31Å; L203-I227 PolarHBondContact N-O 3.27Å; L203-I227 PolarHBondContact O-N 3.12Å; L203-A235 HydrophobicContact CB-CB 4.5Å; L203-L239 HydrophobicContact CD2-CB 4.23Å; L203-L239 HydrophobicContact CD2-CD2 3.83Å; L203-V454 HydrophobicContact CB-CG2 4.31Å; L203-V454 HydrophobicContact CD1-CB 3.97Å; L203-L482 HydrophobicContact CD1-CD2 4.2Å; L203-L482 HydrophobicContact CD2-CD1 3.98Å; L203-L482 HydrophobicContact CD2-CD2 4.02Å; L203-L482 HydrophobicContact CD2-CG 4.43Å
204K98.8Very high98.4Very high0 Ų08.1 Ų8.10%04%0.041CC..EExtended strand (participates in β ladder)trans-103.3106.5158.9-175.1-158.379.466.10108.6D186 R192 V224 N447 L451 P452 A453D186-K204 HydrophobicContact CB-CB 4.13Å; D186-K204 HydrophobicContact CB-CD 4Å; D186-K204 HydrophobicContact CB-CG 3.74Å; R192-K204 HydrophobicContact CG-CB 4.49Å; K204-V224 HydrophobicContact CD-CB 4.33Å; K204-V224 HydrophobicContact CD-CG2 4.37Å; K204-V224 HydrophobicContact CG-CB 3.83Å; K204-V224 HydrophobicContact CG-CG1 3.92Å; K204-V224 HydrophobicContact CG-CG2 4.31Å; K204-N447 WeakPolarHBondContact CD-ND2 3.43Å; K204-L451 WeakPolarHBondContact CE-O 3.13Å; K204-L451 PolarHBondContact NZ-O 3.35Å; K204-P452 CarbonylContact O-C 3.53Å; K204-P452 VanDerWaalsContact O-CA 3.29Å; K204-P452 WeakPolarHBondContact O-CA 3.18Å; K204-A453 PolarHBondContact N-O 3.39Å; K204-A453 PolarHBondContact O-N 2.88Å
205P98.3Very high98.4Very high0 Ų08.8 Ų8.80%04%0.044CC..PPolyproline II helixtrans-63.6173177.6-22.934.5000113.7L203 L209 V210 V224 P225 I227 L239 D478L203-P205 HydrophobicContact CD2-CG 4.33Å; L203-P205 HydrophobicContact CG-CG 4.18Å; P205-L209 HydrophobicContact CB-CB 4.45Å; P205-L209 HydrophobicContact CB-CD2 4.32Å; P205-V210 HydrophobicContact CB-CG2 4.18Å; P205-V210 HydrophobicContact CG-CG2 4Å; P205-V224 HydrophobicContact CB-CG1 4.49Å; P205-P225 WeakPolarHBondContact CD-O 3.44Å; P205-I227 HydrophobicContact CG-CD1 4.4Å; P205-L239 HydrophobicContact CB-CD1 3.95Å; P205-L239 HydrophobicContact CG-CD1 3.68Å; P205-D478 WeakPolarHBondContact CA-OD1 3.27Å; P205-D478 WeakPolarHBondContact CB-OD1 3.5Å
206T98.4Very high98.4Very high6 Ų69.8 Ų9.84%0.0375%0.05CC..PPolyproline II helixtrans-54138.7169.5-640000110.8G208 L209 P452 A475 L476 D478T206-G208 PolarHBondContact O-N 3.28Å; T206-L209 VanDerWaalsContact O-CB 3.3Å; T206-L209 WeakPolarHBondContact O-CB 3.44Å; T206-L209 PolarHBondContact O-N 2.83Å; T206-P452 VanDerWaalsContact OG1-CD 3.24Å; T206-P452 WeakPolarHBondContact OG1-CD 3.39Å; T206-P452 WeakPolarHBondContact OG1-CG 3.45Å; T206-A475 HydrophobicContact CG2-CB 4.08Å; T206-L476 HydrophobicContact CG2-CD2 3.73Å; T206-L476 HydrophobicContact CG2-CG 4.13Å; T206-L476 PolarHBondContact OG1-N 3.45Å; T206-D478 WeakPolarHBondContact CB-OD2 3.48Å; T206-D478 PolarHBondContact N-OD1 2.64Å; T206-D478 PolarHBondContact OG1-OD2 2.64Å
207Y98.6Very high98.3Very high58 Ų5810.4 Ų10.423%0.2275%0.053CC..THydrogen-bonded Turntrans-58.9128175.4177.7-88.6000110.3N220 V224 G450Y207-N220 WeakPolarHBondContact CE2-O 3.44Å; Y207-N220 PolarHBondContact OH-O 3.05Å; Y207-V224 HydrophobicContact CD2-CG2 3.96Å; Y207-G450 PolarHBondContact N-O 3.03Å
208G97.8Very high98.2Very high2 Ų210.5 Ų10.52%0.0215%0.054CC..THydrogen-bonded Turntrans88.2-10.1-175.800000114.8T206 V210 T251 T252 V253T206-G208 PolarHBondContact O-N 3.28Å; G208-V210 VanDerWaalsContact C-N 3.32Å; G208-V210 PolarHBondContact O-N 3.43Å; G208-T251 WeakPolarHBondContact CA-O 3.45Å; G208-T252 CarbonylContact O-C 3.54Å; G208-T252 WeakPolarHBondContact O-CA 3.42Å; G208-V253 PolarHBondContact O-N 2.97Å
209L96.9Very high98.1Very high1 Ų110.5 Ų10.51%0.0055%0.054CC..THydrogen-bonded Turntrans-72.2-28.8178.7-172.659000112.4P205 T206 L239 Q243 G244 A255 L476 D478P205-L209 HydrophobicContact CB-CB 4.45Å; P205-L209 HydrophobicContact CB-CD2 4.32Å; T206-L209 VanDerWaalsContact O-CB 3.3Å; T206-L209 WeakPolarHBondContact O-CB 3.44Å; T206-L209 PolarHBondContact O-N 2.83Å; L209-L239 HydrophobicContact CD2-CD1 4.28Å; L209-L239 HydrophobicContact CD2-CD2 4.36Å; L209-Q243 HydrophobicContact CD1-CB 3.97Å; L209-Q243 HydrophobicContact CD2-CB 4.48Å; L209-Q243 HydrophobicContact CG-CB 3.88Å; L209-Q243 CarbonylContact O-C 3.49Å; L209-Q243 VanDerWaalsContact O-CA 3.26Å; L209-Q243 WeakPolarHBondContact O-CA 3.48Å; L209-G244 PolarHBondContact O-N 3.17Å; L209-A255 HydrophobicContact CD1-CB 4.02Å; L209-L476 HydrophobicContact CD1-CD2 4.41Å; L209-D478 HydrophobicContact CD2-CB 4.21Å
210V98Very high98Very high2 Ų212.4 Ų12.41%0.0126%0.062CC..BIsolated β-bridgetrans-124.6131.1179.2-1760000109.5V104 P205 G208 P225 L239 L242V104-V210 HydrophobicContact CG1-CG1 3.26Å; P205-V210 HydrophobicContact CB-CG2 4.18Å; P205-V210 HydrophobicContact CG-CG2 4Å; G208-V210 VanDerWaalsContact C-N 3.32Å; G208-V210 PolarHBondContact O-N 3.43Å; V210-P225 HydrophobicContact CB-CB 4.46Å; V210-P225 HydrophobicContact CB-CG 4.39Å; V210-P225 HydrophobicContact CG1-CB 3.86Å; V210-P225 HydrophobicContact CG1-CG 3.97Å; V210-L239 HydrophobicContact CG2-CD1 3.7Å; V210-L242 HydrophobicContact CG1-CB 4.15Å; V210-L242 HydrophobicContact CG2-CB 4.39Å
211S98.6Very high97.9Very high1 Ų113.6 Ų13.61%0.0077%0.07CC..  trans-62136.3-175.2173.60000113.8H213 P225 D246S211-H213 WeakPolarHBondContact OG-CB 3.23Å; S211-H213 PolarHBondContact OG-N 2.96Å; S211-P225 VanDerWaalsContact O-CG 3.29Å; S211-P225 WeakPolarHBondContact O-CG 3.49Å; S211-D246 WeakPolarHBondContact CB-OD2 3.36Å; S211-D246 PolarHBondContact OG-OD2 3.07Å
212R98.6Very high97.8Very high32 Ų3213.6 Ų13.612%0.1217%0.07CC..  trans-92.7-1.4173.4-55.7177.4-55.6108.12.5112.3G214 L215 N220 D223 D249 T251R212-G214 PolarHBondContact O-N 3.11Å; R212-G214 VanDerWaalsContact O-N 3.17Å; R212-L215 WeakPolarHBondContact O-CB 3.45Å; R212-L215 PolarHBondContact O-N 3.36Å; R212-N220 PolarHBondContact NH1-O 3.04Å; R212-N220 PolarHBondContact NH1-OD1 2.77Å; R212-D223 WeakPolarHBondContact CD-O 3.24Å; R212-D249 WeakPolarHBondContact CB-OD2 3.5Å; R212-D249 PolarHBondContact N-OD2 3Å; R212-D249 IonicContact NE-OD2 3.95Å; R212-D249 IonicContact NH2-OD1 3.56Å; R212-T251 PolarHBondContact NE-OG1 2.81Å; R212-T251 VanDerWaalsContact NE-OG1 3.09Å; R212-T251 PolarHBondContact NH2-OG1 3.44Å
213H98.8Very high97.8Very high46 Ų4613.7 Ų13.721%0.2137%0.07CC..THydrogen-bonded Turntrans-59.9122.8177.1170.3-93.2000110.9Y100 A102 T103 S211 L215 D246 R248 D249Y100-H213 AromaticContact CD2-CE1 3.89Å; A102-H213 CarbonylContact C-O 3.59Å; A102-H213 VanDerWaalsContact CA-O 3.23Å; A102-H213 WeakPolarHBondContact CA-O 3.26Å; A102-H213 WeakPolarHBondContact CB-O 3.48Å; T103-H213 PolarHBondContact N-O 2.84Å; T103-H213 PolarHBondContact OG1-ND1 3.32Å; T103-H213 VanDerWaalsContact OG1-ND1 3.15Å; S211-H213 WeakPolarHBondContact OG-CB 3.23Å; S211-H213 PolarHBondContact OG-N 2.96Å; H213-L215 VanDerWaalsContact C-N 3.29Å; H213-L215 PolarHBondContact O-N 2.9Å; H213-D246 WeakPolarHBondContact CB-OD2 3.43Å; H213-R248 HydrophobicContact CB-CB 3.97Å; H213-D249 HydrophobicContact CB-CB 4.27Å
214G98.5Very high97.8Very high8 Ų813.8 Ų13.88%0.0827%0.071CC..THydrogen-bonded Turntrans77.12.6-175.700000115.7C80 R212C80-G214 WeakPolarHBondContact CB-O 3.12Å; C80-G214 PolarHBondContact N-O 3.44Å; C80-G214 PolarHBondContact SG-O 2.77Å; R212-G214 PolarHBondContact O-N 3.11Å; R212-G214 VanDerWaalsContact O-N 3.17Å
215L98.8Very high97.8Very high13 Ų1313.9 Ų13.97%0.0687%0.072CC..BIsolated β-bridgetrans-76.9119.9158.2171.557.8000107.9N78 F79 R212 H213 P217 D223 P225N78-L215 HydrophobicContact CB-CD1 4.35Å; N78-L215 WeakPolarHBondContact ND2-CD1 3.45Å; F79-L215 HydrophobicContact CD1-CB 4Å; F79-L215 HydrophobicContact CD1-CD1 4.09Å; F79-L215 HydrophobicContact CD2-CD1 4.49Å; F79-L215 HydrophobicContact CE1-CB 3.83Å; F79-L215 HydrophobicContact CE1-CD1 3.78Å; F79-L215 HydrophobicContact CE1-CD2 4.24Å; F79-L215 HydrophobicContact CE1-CG 4.15Å; F79-L215 HydrophobicContact CE2-CD1 4.2Å; F79-L215 HydrophobicContact CG-CD1 4.44Å; F79-L215 HydrophobicContact CZ-CD1 3.83Å; F79-L215 HydrophobicContact CZ-CD2 4.41Å; R212-L215 WeakPolarHBondContact O-CB 3.45Å; R212-L215 PolarHBondContact O-N 3.36Å; H213-L215 VanDerWaalsContact C-N 3.29Å; H213-L215 PolarHBondContact O-N 2.9Å; L215-P217 WeakPolarHBondContact O-CD 3.33Å; L215-D223 HydrophobicContact CD2-CB 4.19Å; L215-P225 HydrophobicContact CD2-CG 4.3Å
216I98.6Very high97.8Very high22 Ų2213.9 Ų13.911%0.1137%0.072CC..  trans-68.9115.9173.3-65170000107.4N78 T86 C88 L93 F124 F336N78-I216 HydrophobicContact CB-CB 4.45Å; N78-I216 PolarHBondContact O-N 3.28Å; T86-I216 HydrophobicContact CG2-CD1 3.62Å; C88-I216 WeakPolarHBondContact SG-CD1 3.41Å; L93-I216 HydrophobicContact CD1-CD1 4.02Å; F124-I216 HydrophobicContact CD1-CG2 4.19Å; F124-I216 HydrophobicContact CE1-CG2 4.06Å; I216-F336 HydrophobicContact CG2-CZ 3.99Å
217P95.9Very high97.8Very high12 Ų1213.7 Ų13.78%0.0787%0.07CC..  trans-79.5146.6-162.530.9-36000112.7L215 N220 D223 N332 M333L215-P217 WeakPolarHBondContact O-CD 3.33Å; P217-N220 WeakPolarHBondContact CB-OD1 3.38Å; P217-D223 VanDerWaalsContact CA-OD2 3.28Å; P217-D223 WeakPolarHBondContact CA-OD2 3.48Å; P217-N332 HydrophobicContact CG-CB 4.38Å; P217-M333 WeakPolarHBondContact O-CE 3.48Å
218L96.8Very high97.9Very high3 Ų310.9 Ų10.92%0.0166%0.06CC..SBendtrans-96.8-62.9161.5178.961.5000109.2A125 M126 T187 D223 V329 N332A125-L218 HydrophobicContact CB-CD2 4.25Å; M126-L218 HydrophobicContact CE-CD1 3.56Å; M126-L218 HydrophobicContact CG-CD1 3.5Å; M126-L218 VanDerWaalsContact CG-CD1 3.5Å; M126-L218 HydrophobicContact SD-CD1 4.07Å; T187-L218 HydrophobicContact CG2-CB 4.34Å; T187-L218 HydrophobicContact CG2-CD2 3.91Å; T187-L218 HydrophobicContact CG2-CG 4.17Å; L218-D223 PolarHBondContact N-OD2 3.01Å; L218-V329 HydrophobicContact CD1-CG2 3.46Å; L218-V329 VanDerWaalsContact CD1-CG2 3.46Å; L218-V329 HydrophobicContact CG-CG2 4.4Å; L218-N332 PolarHBondContact O-ND2 2.97Å
219V97.1Very high97.9Very high0 Ų010.8 Ų10.80%06%0.059CC..  trans-131.9105.9177.4-174.10000108.9T187 S221 M222 D223 C325 E328T187-V219 HydrophobicContact CG2-CB 3.6Å; T187-V219 HydrophobicContact CG2-CG2 3.59Å; V219-S221 PolarHBondContact O-N 3.03Å; V219-S221 VanDerWaalsContact O-N 3.09Å; V219-M222 HydrophobicContact CB-CB 4.2Å; V219-M222 HydrophobicContact CG1-CB 4.01Å; V219-M222 HydrophobicContact CG1-CG 4.01Å; V219-M222 HydrophobicContact CG1-SD 4.3Å; V219-M222 PolarHBondContact O-N 3.11Å; V219-D223 VanDerWaalsContact N-CG 3.33Å; V219-D223 PolarHBondContact N-OD1 2.62Å; V219-D223 PolarHBondContact N-OD2 2.9Å; V219-D223 WeakPolarHBondContact O-CB 3.25Å; V219-D223 PolarHBondContact O-N 3.26Å; V219-C325 HydrophobicContact CG2-CB 3.78Å; V219-C325 VanDerWaalsContact CG2-SG 3.58Å; V219-E328 HydrophobicContact CG1-CB 4.1Å; V219-E328 HydrophobicContact CG1-CG 4.09Å; V219-E328 WeakPolarHBondContact CG1-OE1 3.48Å
220N95.1Very high97.9Very high52 Ų5213.4 Ų13.428%0.2787%0.068SC..THydrogen-bonded Turntrans-58-33.2-175.1-71.7-60.9000113Y207 R212 P217 M222 E328 N332Y207-N220 WeakPolarHBondContact CE2-O 3.44Å; Y207-N220 PolarHBondContact OH-O 3.05Å; R212-N220 PolarHBondContact NH1-O 3.04Å; R212-N220 PolarHBondContact NH1-OD1 2.77Å; P217-N220 WeakPolarHBondContact CB-OD1 3.38Å; N220-M222 VanDerWaalsContact C-N 3.26Å; N220-M222 PolarHBondContact O-N 2.95Å; N220-E328 WeakPolarHBondContact CA-OE2 3.34Å; N220-E328 WeakPolarHBondContact CB-OE2 3.31Å; N220-E328 PolarHBondContact N-OE2 3.47Å; N220-N332 PolarHBondContact ND2-ND2 2.81Å; N220-N332 PolarHBondContact ND2-OD1 3.44Å
221S95.6Very high97.7Very high27 Ų2714 Ų1419%0.1897%0.073CC..THydrogen-bonded Turntrans-79.6-1.9-179.774.40000114.5V219 E328 R394V219-S221 PolarHBondContact O-N 3.03Å; V219-S221 VanDerWaalsContact O-N 3.09Å; S221-E328 WeakPolarHBondContact CB-OE1 3.45Å; S221-E328 PolarHBondContact N-OE2 3.1Å; S221-E328 PolarHBondContact OG-OE1 3.08Å; S221-R394 PolarHBondContact O-NH2 3.49Å; S221-R394 PolarHBondContact OG-NH1 3.38Å
222M97.7Very high97.7Very high0 Ų014 Ų140%07%0.072CC..THydrogen-bonded Turntrans-139.1-18.2-175.9-62.9-175.5-168.600114.6T187 V219 N220 V224 Y321 L324 N447 M448T187-M222 HydrophobicContact CG2-CB 4.12Å; V219-M222 HydrophobicContact CB-CB 4.2Å; V219-M222 HydrophobicContact CG1-CB 4.01Å; V219-M222 HydrophobicContact CG1-CG 4.01Å; V219-M222 HydrophobicContact CG1-SD 4.3Å; V219-M222 PolarHBondContact O-N 3.11Å; N220-M222 VanDerWaalsContact C-N 3.26Å; N220-M222 PolarHBondContact O-N 2.95Å; M222-V224 PolarHBondContact O-N 3.33Å; M222-Y321 HydrophobicContact SD-CD2 3.75Å; M222-Y321 HydrophobicContact SD-CE2 3.94Å; M222-L324 HydrophobicContact CE-CB 4.04Å; M222-L324 HydrophobicContact CE-CD1 3.54Å; M222-L324 HydrophobicContact CE-CG 4.44Å; M222-N447 HydrophobicContact CB-CB 4.33Å; M222-M448 HydrophobicContact CE-CG 4.04Å; M222-M448 HydrophobicContact SD-CG 4.35Å
223D98.5Very high97.5Very high2 Ų213.1 Ų13.11%0.0117%0.074CC..  trans-62.8125.4178.8-71.5-16.3000110.8T187 R212 L215 P217 L218 V219T187-D223 WeakPolarHBondContact CB-OD1 3.27Å; T187-D223 WeakPolarHBondContact CG2-OD1 3.36Å; T187-D223 PolarHBondContact OG1-OD1 3.44Å; R212-D223 WeakPolarHBondContact CD-O 3.24Å; L215-D223 HydrophobicContact CD2-CB 4.19Å; P217-D223 VanDerWaalsContact CA-OD2 3.28Å; P217-D223 WeakPolarHBondContact CA-OD2 3.48Å; L218-D223 PolarHBondContact N-OD2 3.01Å; V219-D223 VanDerWaalsContact N-CG 3.33Å; V219-D223 PolarHBondContact N-OD1 2.62Å; V219-D223 PolarHBondContact N-OD2 2.9Å; V219-D223 WeakPolarHBondContact O-CB 3.25Å; V219-D223 PolarHBondContact O-N 3.26Å
224V98.7Very high97.4Very high3 Ų311.1 Ų11.12%0.0186%0.064CC..EExtended strand (participates in β ladder)trans-128.9129.1172.1-177.90000109.1D186 K204 P205 Y207 M222 G226D186-V224 PolarHBondContact N-O 2.64Å; D186-V224 PolarHBondContact O-N 3.34Å; K204-V224 HydrophobicContact CD-CB 4.33Å; K204-V224 HydrophobicContact CD-CG2 4.37Å; K204-V224 HydrophobicContact CG-CB 3.83Å; K204-V224 HydrophobicContact CG-CG1 3.92Å; K204-V224 HydrophobicContact CG-CG2 4.31Å; P205-V224 HydrophobicContact CB-CG1 4.49Å; Y207-V224 HydrophobicContact CD2-CG2 3.96Å; M222-V224 PolarHBondContact O-N 3.33Å; V224-G226 PolarHBondContact O-N 3.1Å
225P98.8Very high97.3Very high2 Ų210.7 Ų10.71%0.0136%0.061CC..EExtended strand (participates in β ladder)trans-59.3119.6166.6-21.332.6000110.1F79 V104 P205 V210 S211 L215F79-P225 HydrophobicContact CE1-CB 4.02Å; F79-P225 HydrophobicContact CE1-CG 4.24Å; F79-P225 HydrophobicContact CZ-CB 3.99Å; V104-P225 HydrophobicContact CG1-CB 4.15Å; V104-P225 HydrophobicContact CG1-CG 4.31Å; P205-P225 WeakPolarHBondContact CD-O 3.44Å; V210-P225 HydrophobicContact CB-CB 4.46Å; V210-P225 HydrophobicContact CB-CG 4.39Å; V210-P225 HydrophobicContact CG1-CB 3.86Å; V210-P225 HydrophobicContact CG1-CG 3.97Å; S211-P225 VanDerWaalsContact O-CG 3.29Å; S211-P225 WeakPolarHBondContact O-CG 3.49Å; L215-P225 HydrophobicContact CD2-CG 4.3Å
226G98.6Very high97.2Very high0 Ų010.3 Ų10.30%06%0.059CC..EExtended strand (participates in β ladder)trans-96.4158.2-179.200000112.3G184 L203 V224G184-G226 PolarHBondContact N-O 2.87Å; G184-G226 PolarHBondContact O-N 2.75Å; L203-G226 WeakPolarHBondContact O-CA 3.41Å; V224-G226 PolarHBondContact O-N 3.1Å
227I98.9Very high97.1Very high1 Ų110.3 Ų10.31%0.0056%0.059CC..EExtended strand (participates in β ladder)trans-120.4126.4-179.6-68164.2000107.8L181 A202 L203 P205 T229 A235 A238 L239 L242L181-I227 HydrophobicContact CD1-CG2 3.73Å; A202-I227 CarbonylContact C-O 3.55Å; A202-I227 WeakPolarHBondContact CA-O 3.44Å; L203-I227 HydrophobicContact CB-CB 4.33Å; L203-I227 HydrophobicContact CD2-CD1 4.31Å; L203-I227 PolarHBondContact N-O 3.27Å; L203-I227 PolarHBondContact O-N 3.12Å; P205-I227 HydrophobicContact CG-CD1 4.4Å; I227-T229 HydrophobicContact CG2-CG2 4.08Å; I227-A235 HydrophobicContact CG2-CB 4.05Å; I227-A238 HydrophobicContact CD1-CB 4.33Å; I227-A238 HydrophobicContact CG2-CB 3.82Å; I227-L239 HydrophobicContact CD1-CB 3.71Å; I227-L239 HydrophobicContact CD1-CD1 4.03Å; I227-L239 HydrophobicContact CD1-CG 4.46Å; I227-L242 HydrophobicContact CD1-CD1 3.84Å; I227-L242 HydrophobicContact CG1-CD1 3.84Å
228I98.9Very high97.1Very high0 Ų09.7 Ų9.70%06%0.055CC..EExtended strand (participates in β ladder)trans-121.6126.8177.4-55.5177.4000109.2A171 V174 L181 A182 T191 V200 V201 A202A171-I228 HydrophobicContact CB-CD1 4.31Å; V174-I228 HydrophobicContact CB-CG2 4.18Å; V174-I228 HydrophobicContact CG1-CG2 4.36Å; V174-I228 HydrophobicContact CG2-CB 4.45Å; V174-I228 HydrophobicContact CG2-CG2 4.09Å; L181-I228 WeakPolarHBondContact CA-O 3.34Å; A182-I228 HydrophobicContact CB-CB 4.48Å; A182-I228 PolarHBondContact N-O 2.69Å; A182-I228 PolarHBondContact O-N 2.83Å; T191-I228 HydrophobicContact CG2-CD1 4.04Å; T191-I228 HydrophobicContact CG2-CG1 3.64Å; V200-I228 HydrophobicContact CB-CG2 4.31Å; V200-I228 HydrophobicContact CG2-CG2 3.56Å; V201-I228 WeakPolarHBondContact O-CA 3.38Å; A202-I228 HydrophobicContact CB-CG1 4.24Å
229T98.3Very high97.1Very high0 Ų09.6 Ų9.60%05%0.054CC..EExtended strand (participates in β ladder)trans-145.6171.5-176.656.30000110.4V174 L181 V200 V201 I227 S231 D234 A235V174-T229 VanDerWaalsContact CG1-C 3.49Å; L181-T229 HydrophobicContact CB-CG2 4.49Å; L181-T229 HydrophobicContact CD1-CG2 3.7Å; V200-T229 WeakPolarHBondContact CB-O 3.5Å; V201-T229 PolarHBondContact N-O 3.36Å; V201-T229 PolarHBondContact O-N 3.33Å; V201-T229 VanDerWaalsContact O-O 3.11Å; I227-T229 HydrophobicContact CG2-CG2 4.08Å; T229-S231 PolarHBondContact OG1-O 3.2Å; T229-D234 HydrophobicContact CG2-CB 3.83Å; T229-A235 HydrophobicContact CG2-CB 4.41Å; T229-A235 WeakPolarHBondContact OG1-CB 3Å; T229-A235 PolarHBondContact OG1-N 3.06Å
230R96.2Very high97.1Very high55 Ų5510.8 Ų10.821%0.2087%0.067CC..SBendtrans-85.6-20.1173.9-71.7-171.7-61.7-78.6-3.6113.6L2 L4 V174 S179L2-R230 PolarHBondContact O-NH2 2.69Å; L4-R230 PolarHBondContact O-NH2 3.07Å; V174-R230 HydrophobicContact CG1-CG 3.73Å; V174-R230 PolarHBondContact O-NH1 3.06Å; S179-R230 PolarHBondContact O-NH1 2.92Å
231S95.9Very high97.1Very high15 Ų159.5 Ų9.511%0.1056%0.061CC..SBendtrans-131.6155177.471.90000112.7T229 G233 D234 A235 E489T229-S231 PolarHBondContact OG1-O 3.2Å; S231-G233 VanDerWaalsContact C-N 3.31Å; S231-D234 PolarHBondContact O-N 3Å; S231-D234 WeakPolarHBondContact OG-CB 3.5Å; S231-D234 PolarHBondContact OG-N 2.65Å; S231-D234 VanDerWaalsContact OG-N 3.14Å; S231-D234 PolarHBondContact OG-OD1 2.62Å; S231-D234 PolarHBondContact OG-OD2 3.38Å; S231-A235 PolarHBondContact O-N 2.71Å; S231-E489 WeakPolarHBondContact CA-OE1 3.24Å
232V96.9Very high97.1Very high0 Ų08.3 Ų8.30%05%0.052CC..Hα-helixtrans-64.7-37.4174.7177.90000111.2V201 D234 A235 A236 L262 V456 L482 A485 Q486 E489V201-V232 HydrophobicContact CG1-CG2 3.96Å; V201-V232 HydrophobicContact CG2-CG2 3.92Å; V232-D234 VanDerWaalsContact C-N 3.32Å; V232-D234 PolarHBondContact O-N 2.89Å; V232-A235 WeakPolarHBondContact O-CB 3.45Å; V232-A235 PolarHBondContact O-N 2.77Å; V232-A235 VanDerWaalsContact O-N 3.17Å; V232-A236 PolarHBondContact O-N 3.46Å; V232-L262 HydrophobicContact CG1-CD1 3.93Å; V232-V456 HydrophobicContact CG2-CG2 4.2Å; V232-L482 HydrophobicContact CG1-CB 4.23Å; V232-L482 HydrophobicContact CG1-CD2 3.78Å; V232-L482 VanDerWaalsContact CG1-O 3.28Å; V232-L482 WeakPolarHBondContact CG1-O 3.27Å; V232-A485 HydrophobicContact CG1-CB 3.97Å; V232-A485 HydrophobicContact CG2-CB 4.03Å; V232-Q486 HydrophobicContact CB-CB 4.16Å; V232-Q486 HydrophobicContact CG1-CB 3.93Å; V232-E489 HydrophobicContact CG2-CB 4.11Å; V232-E489 PolarHBondContact N-OE1 2.82Å; V232-E489 PolarHBondContact N-OE2 3.1Å
233G95.2Very high97Very high15 Ų159.3 Ų9.316%0.1556%0.057CC..Hα-helixtrans-59.1-42.317500000112.6S231 A235 A236 I237S231-G233 VanDerWaalsContact C-N 3.31Å; G233-A235 VanDerWaalsContact C-N 3.34Å; G233-A235 PolarHBondContact O-N 3.13Å; G233-A236 PolarHBondContact O-N 3.4Å; G233-I237 WeakPolarHBondContact O-CG1 3.43Å; G233-I237 PolarHBondContact O-N 3.09Å; G233-I237 VanDerWaalsContact O-N 3.11Å
234D96.3Very high96.7Very high3 Ų39.7 Ų9.72%0.0166%0.062CC..Hα-helixtrans-65.7-37.7176.4-65.6-23.5000111.7L6 T229 S231 V232 A236 I237 A238L6-D234 WeakPolarHBondContact CB-OD1 3.45Å; L6-D234 HydrophobicContact CD1-CB 3.67Å; L6-D234 HydrophobicContact CG-CB 3.89Å; L6-D234 VanDerWaalsContact CG-CG 3.47Å; L6-D234 VanDerWaalsContact CG-OD1 3.25Å; L6-D234 WeakPolarHBondContact CG-OD1 3.45Å; L6-D234 PolarHBondContact N-OD1 3.41Å; T229-D234 HydrophobicContact CG2-CB 3.83Å; S231-D234 PolarHBondContact O-N 3Å; S231-D234 WeakPolarHBondContact OG-CB 3.5Å; S231-D234 PolarHBondContact OG-N 2.65Å; S231-D234 VanDerWaalsContact OG-N 3.14Å; S231-D234 PolarHBondContact OG-OD1 2.62Å; S231-D234 PolarHBondContact OG-OD2 3.38Å; V232-D234 VanDerWaalsContact C-N 3.32Å; V232-D234 PolarHBondContact O-N 2.89Å; D234-A236 VanDerWaalsContact C-N 3.32Å; D234-A236 PolarHBondContact O-N 2.58Å; D234-I237 PolarHBondContact O-N 2.76Å; D234-A238 PolarHBondContact O-N 2.74Å
235A97.3Very high96.5Very high0 Ų013 Ų130%09%0.089CC..Hα-helixtrans-63.6-39.2175.500000111.6V201 L203 I227 T229 S231 V232 G233 A238 L239V201-A235 HydrophobicContact CG1-CB 4.3Å; L203-A235 HydrophobicContact CB-CB 4.5Å; I227-A235 HydrophobicContact CG2-CB 4.05Å; T229-A235 HydrophobicContact CG2-CB 4.41Å; T229-A235 WeakPolarHBondContact OG1-CB 3Å; T229-A235 PolarHBondContact OG1-N 3.06Å; S231-A235 PolarHBondContact O-N 2.71Å; V232-A235 WeakPolarHBondContact O-CB 3.45Å; V232-A235 PolarHBondContact O-N 2.77Å; V232-A235 VanDerWaalsContact O-N 3.17Å; G233-A235 VanDerWaalsContact C-N 3.34Å; G233-A235 PolarHBondContact O-N 3.13Å; A235-A238 PolarHBondContact O-N 3.09Å; A235-L239 WeakPolarHBondContact O-CB 3.23Å; A235-L239 PolarHBondContact O-N 2.98Å
236A96.6Very high96.4Very high4 Ų413.6 Ų13.63%0.0339%0.093CC..Hα-helixtrans-65.3-42.7177.100000112.6V232 G233 D234 A238 L239 G240 L262 L482V232-A236 PolarHBondContact O-N 3.46Å; G233-A236 PolarHBondContact O-N 3.4Å; D234-A236 VanDerWaalsContact C-N 3.32Å; D234-A236 PolarHBondContact O-N 2.58Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A236-L239 PolarHBondContact O-N 2.83Å; A236-G240 PolarHBondContact O-N 3.47Å; A236-L262 HydrophobicContact CB-CD1 3.74Å; A236-L262 HydrophobicContact CB-CD2 4Å; A236-L262 HydrophobicContact CB-CG 3.68Å; A236-L482 HydrophobicContact CB-CD1 3.99Å
237I95.7Very high96.3Very high22 Ų2220.8 Ų20.811%0.11314%0.136CC..Hα-helixtrans-60.3-47174.9-66.5167.1000110.1L6 K7 P67 L68 G233 D234 G240 V241L6-I237 HydrophobicContact CB-CD1 4.36Å; K7-I237 HydrophobicContact CG-CD1 3.96Å; P67-I237 HydrophobicContact CB-CG2 4.09Å; P67-I237 HydrophobicContact CG-CG2 4.34Å; L68-I237 HydrophobicContact CD2-CG2 3.89Å; L68-I237 HydrophobicContact CG-CG2 4.43Å; G233-I237 WeakPolarHBondContact O-CG1 3.43Å; G233-I237 PolarHBondContact O-N 3.09Å; G233-I237 VanDerWaalsContact O-N 3.11Å; D234-I237 PolarHBondContact O-N 2.76Å; I237-G240 PolarHBondContact O-N 3.08Å; I237-V241 PolarHBondContact O-N 3.47Å
238A96.7Very high96.3Very high0 Ų026.6 Ų26.60%016%0.158CC..Hα-helixtrans-62.6-43.7178.100000111.9L181 I227 D234 A235 A236 G240 V241 L242L181-A238 HydrophobicContact CD1-CB 3.7Å; L181-A238 HydrophobicContact CD2-CB 3.84Å; L181-A238 HydrophobicContact CG-CB 4.43Å; I227-A238 HydrophobicContact CD1-CB 4.33Å; I227-A238 HydrophobicContact CG2-CB 3.82Å; D234-A238 PolarHBondContact O-N 2.74Å; A235-A238 PolarHBondContact O-N 3.09Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A238-G240 VanDerWaalsContact C-N 3.33Å; A238-G240 PolarHBondContact O-N 3.37Å; A238-V241 PolarHBondContact O-N 3.36Å; A238-L242 WeakPolarHBondContact O-CB 3.32Å; A238-L242 WeakPolarHBondContact O-CG 3.03Å; A238-L242 PolarHBondContact O-N 2.66Å
239L97.1Very high96.3Very high0 Ų027.1 Ų27.10%016%0.161CC..Hα-helixtrans-63.1-40.9177.5-178.657.8000111.3L203 P205 L209 V210 I227 A235 A236 V241 L242 Q243 L259 D478 L482L203-L239 HydrophobicContact CD2-CB 4.23Å; L203-L239 HydrophobicContact CD2-CD2 3.83Å; P205-L239 HydrophobicContact CB-CD1 3.95Å; P205-L239 HydrophobicContact CG-CD1 3.68Å; L209-L239 HydrophobicContact CD2-CD1 4.28Å; L209-L239 HydrophobicContact CD2-CD2 4.36Å; V210-L239 HydrophobicContact CG2-CD1 3.7Å; I227-L239 HydrophobicContact CD1-CB 3.71Å; I227-L239 HydrophobicContact CD1-CD1 4.03Å; I227-L239 HydrophobicContact CD1-CG 4.46Å; A235-L239 WeakPolarHBondContact O-CB 3.23Å; A235-L239 PolarHBondContact O-N 2.98Å; A236-L239 PolarHBondContact O-N 2.83Å; L239-V241 VanDerWaalsContact C-N 3.25Å; L239-V241 PolarHBondContact O-N 2.94Å; L239-L242 PolarHBondContact O-N 3.47Å; L239-L242 VanDerWaalsContact O-N 3.07Å; L239-Q243 HydrophobicContact CD1-CB 4.09Å; L239-Q243 VanDerWaalsContact O-CB 3.31Å; L239-Q243 WeakPolarHBondContact O-CB 3.48Å; L239-Q243 VanDerWaalsContact O-CG 3.25Å; L239-Q243 WeakPolarHBondContact O-CG 3.48Å; L239-Q243 PolarHBondContact O-N 3.01Å; L239-L259 HydrophobicContact CB-CD1 4.01Å; L239-L259 HydrophobicContact CD2-CD1 3.29Å; L239-L259 HydrophobicContact CG-CD1 3.48Å; L239-L259 VanDerWaalsContact CG-CD1 3.48Å; L239-D478 HydrophobicContact CD2-CB 3.88Å; L239-L482 HydrophobicContact CD2-CD1 4.14Å
240G95.4Very high96.2Very high26 Ų2633.3 Ų33.327%0.26820%0.204SC..Hα-helixtrans-56-37.7175.900000113.8A236 I237 A238 L259A236-G240 PolarHBondContact O-N 3.47Å; I237-G240 PolarHBondContact O-N 3.08Å; A238-G240 VanDerWaalsContact C-N 3.33Å; A238-G240 PolarHBondContact O-N 3.37Å; G240-L259 WeakPolarHBondContact CA-O 3.19Å
241V95.3Very high96.3Very high25 Ų2532.9 Ų32.915%0.15221%0.207CC..Hα-helixtrans-72.6-41.41741680000111.9P67 L68 K107 L108 Q111 I237 A238 L239P67-V241 HydrophobicContact CG-CG2 4.32Å; L68-V241 HydrophobicContact CD1-CB 4.3Å; L68-V241 HydrophobicContact CD1-CG1 4.36Å; L68-V241 HydrophobicContact CD1-CG2 3.91Å; L68-V241 HydrophobicContact CG-CG2 4.35Å; K107-V241 HydrophobicContact CB-CG1 4.39Å; L108-V241 HydrophobicContact CD2-CG1 4.24Å; Q111-V241 HydrophobicContact CG-CB 4.36Å; Q111-V241 HydrophobicContact CG-CG1 3.47Å; Q111-V241 VanDerWaalsContact CG-CG1 3.47Å; Q111-V241 HydrophobicContact CG-CG2 3.92Å; I237-V241 PolarHBondContact O-N 3.47Å; A238-V241 PolarHBondContact O-N 3.36Å; L239-V241 VanDerWaalsContact C-N 3.25Å; L239-V241 PolarHBondContact O-N 2.94Å
242L96.8Very high96.4Very high1 Ų133.4 Ų33.41%0.00521%0.21CC..Hα-helixtrans-85.1-29.1-167.6-68.9173.1000114V104 K107 L108 L183 V210 I227 A238 L239V104-L242 HydrophobicContact CB-CD2 3.85Å; V104-L242 HydrophobicContact CG1-CD2 4.16Å; V104-L242 WeakPolarHBondContact O-CD2 3.49Å; K107-L242 HydrophobicContact CB-CD2 4.2Å; K107-L242 PolarHBondContact NZ-O 2.79Å; L108-L242 HydrophobicContact CD1-CD2 4.46Å; L108-L242 HydrophobicContact CD2-CD2 4.15Å; L108-L242 HydrophobicContact CD2-CG 4.49Å; L108-L242 HydrophobicContact CG-CD2 3.96Å; L183-L242 HydrophobicContact CD2-CD1 3.75Å; V210-L242 HydrophobicContact CG1-CB 4.15Å; V210-L242 HydrophobicContact CG2-CB 4.39Å; I227-L242 HydrophobicContact CD1-CD1 3.84Å; I227-L242 HydrophobicContact CG1-CD1 3.84Å; A238-L242 WeakPolarHBondContact O-CB 3.32Å; A238-L242 WeakPolarHBondContact O-CG 3.03Å; A238-L242 PolarHBondContact O-N 2.66Å; L239-L242 PolarHBondContact O-N 3.47Å; L239-L242 VanDerWaalsContact O-N 3.07Å
243Q95.6Very high96.3Very high21 Ų2135.7 Ų35.710%0.09822%0.224CC..BIsolated β-bridgetrans-67.9162.6-17367.9176.9-1.100113.8K107 L209 L239 A255 S257K107-Q243 PolarHBondContact NZ-O 2.88Å; L209-Q243 HydrophobicContact CD1-CB 3.97Å; L209-Q243 HydrophobicContact CD2-CB 4.48Å; L209-Q243 HydrophobicContact CG-CB 3.88Å; L209-Q243 CarbonylContact O-C 3.49Å; L209-Q243 VanDerWaalsContact O-CA 3.26Å; L209-Q243 WeakPolarHBondContact O-CA 3.48Å; L239-Q243 HydrophobicContact CD1-CB 4.09Å; L239-Q243 VanDerWaalsContact O-CB 3.31Å; L239-Q243 WeakPolarHBondContact O-CB 3.48Å; L239-Q243 VanDerWaalsContact O-CG 3.25Å; L239-Q243 WeakPolarHBondContact O-CG 3.48Å; L239-Q243 PolarHBondContact O-N 3.01Å; Q243-A255 HydrophobicContact CB-CB 4.34Å; Q243-A255 HydrophobicContact CG-CB 3.94Å; Q243-S257 PolarHBondContact NE2-O 3.06Å
244G92Very high96.1Very high11 Ų1140 Ų4011%0.11325%0.249CC..SBendtrans103.8168.6171.600000114.1L209L209-G244 PolarHBondContact O-N 3.17Å
245A93.4Very high95.7Very high71 Ų7141.7 Ų41.759%0.58726%0.263SS*.  trans-56.9146.4-172.900000113.1
246D97.4Very high94.9Very high16 Ų1645.3 Ų45.39%0.08629%0.287CS..BIsolated β-bridgetrans-134.9121.617217713.5000109T103 S211 H213 R248 D249 T252T103-D246 VanDerWaalsContact CB-OD2 3.22Å; T103-D246 WeakPolarHBondContact CB-OD2 3.36Å; T103-D246 HydrophobicContact CG2-CB 4.24Å; T103-D246 VanDerWaalsContact CG2-OD2 3.31Å; T103-D246 WeakPolarHBondContact CG2-OD2 3.38Å; T103-D246 PolarHBondContact OG1-OD2 2.98Å; S211-D246 WeakPolarHBondContact CB-OD2 3.36Å; S211-D246 PolarHBondContact OG-OD2 3.07Å; H213-D246 WeakPolarHBondContact CB-OD2 3.43Å; D246-R248 PolarHBondContact O-N 3.17Å; D246-R248 WeakPolarHBondContact OD1-CB 3.39Å; D246-R248 PolarHBondContact OD1-N 3.35Å; D246-R248 IonicContact OD1-NE 3.25Å; D246-D249 HydrophobicContact CB-CB 4.41Å; D246-D249 CarbonylContact O-C 3.59Å; D246-D249 PolarHBondContact O-N 2.97Å; D246-T252 HydrophobicContact CB-CG2 4.12Å; D246-T252 PolarHBondContact N-OG1 3.49Å; D246-T252 PolarHBondContact O-OG1 2.97Å
247V97.2Very high93.7Very high150 Ų15047.7 Ų47.791%0.90930%0.303SS*.THydrogen-bonded Turntrans-61.9-17.5179.3-61.10000113.1
248R98.1Very high92.3Very high124 Ų12450.1 Ų50.147%0.46833%0.326SS..THydrogen-bonded Turntrans-90.3-3.5176.7-58.6177.9-70.6-172.6-3.6113.5T103 H213 D246T103-R248 PolarHBondContact OG1-NH2 3.36Å; H213-R248 HydrophobicContact CB-CB 3.97Å; D246-R248 PolarHBondContact O-N 3.17Å; D246-R248 WeakPolarHBondContact OD1-CB 3.39Å; D246-R248 PolarHBondContact OD1-N 3.35Å; D246-R248 IonicContact OD1-NE 3.25Å
249D98.3Very high90.8Very high11 Ų1150.5 Ų50.56%0.05933%0.328CS..BIsolated β-bridgetrans-133.998.9176.1-179.50000110.5R212 H213 D246 T251 T252R212-D249 WeakPolarHBondContact CB-OD2 3.5Å; R212-D249 PolarHBondContact N-OD2 3Å; R212-D249 IonicContact NE-OD2 3.95Å; R212-D249 IonicContact NH2-OD1 3.56Å; H213-D249 HydrophobicContact CB-CB 4.27Å; D246-D249 HydrophobicContact CB-CB 4.41Å; D246-D249 CarbonylContact O-C 3.59Å; D246-D249 PolarHBondContact O-N 2.97Å; D249-T251 PolarHBondContact O-N 3.25Å; D249-T251 WeakPolarHBondContact OD1-CB 3.49Å; D249-T251 PolarHBondContact OD1-N 3.41Å; D249-T251 PolarHBondContact OD1-OG1 2.84Å; D249-T251 PolarHBondContact OD2-OG1 2.85Å; D249-T252 HydrophobicContact CB-CG2 3.88Å; D249-T252 PolarHBondContact O-N 3.19Å; D249-T252 PolarHBondContact O-OG1 2.81Å
250S97.8Very high89Confident129 Ų12955.7 Ų55.790%0.90236%0.361SS*.THydrogen-bonded Turntrans-62.2-8.2178.9-47.40000114.6
251T97.8Very high87.9Confident47 Ų4761 Ų6129%0.28838%0.378SS..THydrogen-bonded Turntrans-95.5-4.1176.766.60000113.4G208 R212 D249G208-T251 WeakPolarHBondContact CA-O 3.45Å; R212-T251 PolarHBondContact NE-OG1 2.81Å; R212-T251 VanDerWaalsContact NE-OG1 3.09Å; R212-T251 PolarHBondContact NH2-OG1 3.44Å; D249-T251 PolarHBondContact O-N 3.25Å; D249-T251 WeakPolarHBondContact OD1-CB 3.49Å; D249-T251 PolarHBondContact OD1-N 3.41Å; D249-T251 PolarHBondContact OD1-OG1 2.84Å; D249-T251 PolarHBondContact OD2-OG1 2.85Å
252T97.6Very high87.6Confident25 Ų2560.2 Ų60.215%0.15337%0.373CS..  trans-69.7144.7176.155.20000112.1G208 D246 D249G208-T252 CarbonylContact O-C 3.54Å; G208-T252 WeakPolarHBondContact O-CA 3.42Å; D246-T252 HydrophobicContact CB-CG2 4.12Å; D246-T252 PolarHBondContact N-OG1 3.49Å; D246-T252 PolarHBondContact O-OG1 2.97Å; D249-T252 HydrophobicContact CB-CG2 3.88Å; D249-T252 PolarHBondContact O-N 3.19Å; D249-T252 PolarHBondContact O-OG1 2.81Å
253V94.8Very high87.3Confident48 Ų4862.9 Ų62.929%0.29139%0.391SS..  trans-115155.6176.8-59.80000110.5G208 A255 L476G208-V253 PolarHBondContact O-N 2.97Å; V253-A255 PolarHBondContact O-N 3.26Å; V253-L476 HydrophobicContact CG2-CD2 3.85Å
254P91.1Very high86.8Confident106 Ų10668.5 Ų68.569%0.68842%0.417SS*.  trans-57.7138.2174.4-23.934.6000111.5
255A88Confident86.5Confident38 Ų3875.4 Ų75.431%0.31445%0.451SS..  trans-72.1128.8173.800000109.7L209 Q243 V253 S257L209-A255 HydrophobicContact CD1-CB 4.02Å; Q243-A255 HydrophobicContact CB-CB 4.34Å; Q243-A255 HydrophobicContact CG-CB 3.94Å; V253-A255 PolarHBondContact O-N 3.26Å; A255-S257 VanDerWaalsContact C-N 3.35Å; A255-S257 PolarHBondContact O-N 3.48Å
256P80.9Confident86.5Confident77 Ų7774.2 Ų74.250%0.543%0.433SS..SBendtrans-69.9-29.2-173.726.5-35000113.2L476P256-L476 HydrophobicContact CG-CB 4.1Å; P256-L476 WeakPolarHBondContact CG-O 3.4Å
257S70.9Confident86.4Confident54 Ų5476.7 Ų76.738%0.37845%0.446SS..SBendtrans-159.6158.617363.60000111.1Q243 A255 L259Q243-S257 PolarHBondContact NE2-O 3.06Å; A255-S257 VanDerWaalsContact C-N 3.35Å; A255-S257 PolarHBondContact O-N 3.48Å; S257-L259 PolarHBondContact O-N 2.79Å
258A65.2Low86.4Confident72 Ų7269.7 Ų69.760%0.59540%0.403SS*.  trans-71.1114.9171.400000110.1T260A258-T260 PolarHBondContact O-N 2.65Å; A258-T260 VanDerWaalsContact O-N 3.16Å
259L66.1Low86.4Confident8 Ų871.4 Ų71.44%0.04241%0.41CS..  trans-77.889.6168.5-76.3164.4000108.5L239 G240 S257 K479L239-L259 HydrophobicContact CB-CD1 4.01Å; L239-L259 HydrophobicContact CD2-CD1 3.29Å; L239-L259 HydrophobicContact CG-CD1 3.48Å; L239-L259 VanDerWaalsContact CG-CD1 3.48Å; G240-L259 WeakPolarHBondContact CA-O 3.19Å; S257-L259 PolarHBondContact O-N 2.79Å; L259-K479 HydrophobicContact CD2-CB 3.43Å; L259-K479 VanDerWaalsContact CD2-CB 3.43Å; L259-K479 HydrophobicContact CD2-CD 3.98Å; L259-K479 HydrophobicContact CD2-CG 3.51Å; L259-K479 HydrophobicContact CG-CB 4.46Å
260T59Low86.3Confident110 Ų11077.5 Ų77.568%0.67544%0.443SS*.  trans-99.3-45.817615.20000111.1A258A258-T260 PolarHBondContact O-N 2.65Å; A258-T260 VanDerWaalsContact O-N 3.16Å
261E73.4Confident86.3Confident136 Ų13671.9 Ų71.964%0.63640%0.402SS*.  trans-147143.3178.6-62.7-173.7162.400111.5
262L89.2Confident86.3Confident10 Ų1069.8 Ų69.85%0.05239%0.39CS..  trans-88.9143.9166.6-56.8178.6000108.9V232 A236 L482 Q486V232-L262 HydrophobicContact CG1-CD1 3.93Å; A236-L262 HydrophobicContact CB-CD1 3.74Å; A236-L262 HydrophobicContact CB-CD2 4Å; A236-L262 HydrophobicContact CB-CG 3.68Å; L262-L482 HydrophobicContact CD1-CB 4Å; L262-L482 HydrophobicContact CD2-CB 3.92Å; L262-Q486 HydrophobicContact CD1-CB 4.17Å
263P89Confident86.4Confident57 Ų5768.6 Ų68.637%0.3738%0.383SS..  trans-63135.3175.727.1-32.3000110.5D265 F266 C483 Q486P263-D265 VanDerWaalsContact C-N 3.35Å; P263-F266 HydrophobicContact CG-CB 4.18Å; P263-F266 HydrophobicContact CG-CD2 3.81Å; P263-F266 HydrophobicContact CG-CG 4.45Å; P263-C483 VanDerWaalsContact CD-SG 3.55Å; P263-Q486 PolarHBondContact O-OE1 3.17Å; P263-Q486 VanDerWaalsContact O-OE1 3.11Å
264E84.9Confident86.6Confident139 Ų13966.3 Ų66.365%0.6537%0.369SS*.SBendtrans-64.4-41179.1-66-172.7165.400112Q490E264-Q490 PolarHBondContact O-NE2 3.05Å
265D87.3Confident86.9Confident155 Ų15562.6 Ų62.683%0.82934%0.342SS*.SBendtrans-11083.1178.4-62.7-43.3000110.1P263P263-D265 VanDerWaalsContact C-N 3.35Å
266F93.4Very high87.4Confident46 Ų4660.8 Ų60.820%0.20233%0.328CS..  trans-83.3123.4175.2-172-107000111.5P263 V268 I271 C483 V484 W487P263-F266 HydrophobicContact CG-CB 4.18Å; P263-F266 HydrophobicContact CG-CD2 3.81Å; P263-F266 HydrophobicContact CG-CG 4.45Å; F266-V268 HydrophobicContact CD1-CG1 3.88Å; F266-V268 HydrophobicContact CE1-CG1 4.11Å; F266-I271 HydrophobicContact CE1-CD1 4.15Å; F266-I271 HydrophobicContact CE1-CG1 4.01Å; F266-I271 HydrophobicContact CZ-CD1 4.02Å; F266-I271 HydrophobicContact CZ-CG1 4.34Å; F266-C483 HydrophobicContact CD1-CB 4.06Å; F266-C483 HydrophobicContact CD2-CB 3.58Å; F266-C483 HydrophobicContact CE1-CB 4.1Å; F266-C483 HydrophobicContact CE2-CB 3.63Å; F266-C483 HydrophobicContact CG-CB 3.79Å; F266-C483 HydrophobicContact CZ-CB 3.89Å; F266-V484 HydrophobicContact CE1-CG2 3.74Å; F266-V484 HydrophobicContact CZ-CG2 4.35Å; F266-W487 HydrophobicContact CD1-CB 4.48Å
267D94.4Very high88.2Confident69 Ų6961.8 Ų61.837%0.36932%0.324SS..  trans-87.4113.1178.5-1776.4000111.7R269D267-R269 VanDerWaalsContact CG-NE 3.33Å; D267-R269 VanDerWaalsContact OD1-CB 3.32Å; D267-R269 WeakPolarHBondContact OD1-CB 3.42Å; D267-R269 VanDerWaalsContact OD1-CG 3.23Å; D267-R269 WeakPolarHBondContact OD1-CG 3.13Å; D267-R269 IonicContact OD1-CZ 2.7Å; D267-R269 PolarHBondContact OD1-N 2.84Å; D267-R269 IonicContact OD1-NE 3.2Å; D267-R269 PolarHBondContact OD1-NE 2.87Å; D267-R269 IonicContact OD1-NH2 3.95Å; D267-R269 IonicContact OD2-CZ 3.1Å; D267-R269 IonicContact OD2-NE 2.67Å; D267-R269 PolarHBondContact OD2-NE 3.03Å; D267-R269 IonicContact OD2-NH2 2.66Å; D267-R269 PolarHBondContact OD2-NH2 2.84Å
268V97.3Very high89.5Confident2 Ų261.3 Ų61.31%0.01232%0.316CS..G310 helixtrans-86.1-2.8-179.1-63.90000114.4F266 N270 I271 F299 A302 A304 W487F266-V268 HydrophobicContact CD1-CG1 3.88Å; F266-V268 HydrophobicContact CE1-CG1 4.11Å; V268-N270 PolarHBondContact O-N 3Å; V268-N270 VanDerWaalsContact O-N 3.08Å; V268-I271 HydrophobicContact CB-CB 4.5Å; V268-I271 HydrophobicContact CB-CG1 4.33Å; V268-I271 VanDerWaalsContact O-CB 3.3Å; V268-I271 WeakPolarHBondContact O-CB 3.28Å; V268-I271 PolarHBondContact O-N 2.9Å; V268-F299 HydrophobicContact CB-CD1 4.44Å; V268-F299 HydrophobicContact CG1-CE1 4.2Å; V268-A302 HydrophobicContact CG2-CB 3.59Å; V268-A304 HydrophobicContact CB-CB 4.35Å; V268-A304 HydrophobicContact CG2-CB 4.38Å; V268-A304 WeakPolarHBondContact O-CA 3.45Å; V268-A304 VanDerWaalsContact O-CB 3.29Å; V268-A304 WeakPolarHBondContact O-CB 3.05Å; V268-W487 HydrophobicContact CB-CD2 4.42Å; V268-W487 HydrophobicContact CG1-CB 4.02Å; V268-W487 HydrophobicContact CG1-CD2 3.5Å; V268-W487 VanDerWaalsContact CG1-CD2 3.5Å; V268-W487 HydrophobicContact CG1-CE3 3.97Å; V268-W487 HydrophobicContact CG1-CG 3.48Å; V268-W487 VanDerWaalsContact CG1-CG 3.48Å; V268-W487 HydrophobicContact CG2-CD2 4.09Å; V268-W487 HydrophobicContact CG2-CH2 4.33Å; V268-W487 HydrophobicContact CG2-CZ2 3.79Å
269R97.6Very high91Very high160 Ų16058.2 Ų58.260%0.60429%0.289SS*.G310 helixtrans-58.3-27.7-176.7-71.7177.5-65.8177.6-0114.3D267 A302D267-R269 VanDerWaalsContact CG-NE 3.33Å; D267-R269 VanDerWaalsContact OD1-CB 3.32Å; D267-R269 WeakPolarHBondContact OD1-CB 3.42Å; D267-R269 VanDerWaalsContact OD1-CG 3.23Å; D267-R269 WeakPolarHBondContact OD1-CG 3.13Å; D267-R269 IonicContact OD1-CZ 2.7Å; D267-R269 PolarHBondContact OD1-N 2.84Å; D267-R269 IonicContact OD1-NE 3.2Å; D267-R269 PolarHBondContact OD1-NE 2.87Å; D267-R269 IonicContact OD1-NH2 3.95Å; D267-R269 IonicContact OD2-CZ 3.1Å; D267-R269 IonicContact OD2-NE 2.67Å; D267-R269 PolarHBondContact OD2-NE 3.03Å; D267-R269 IonicContact OD2-NH2 2.66Å; D267-R269 PolarHBondContact OD2-NH2 2.84Å; R269-A302 VanDerWaalsContact CG-O 3.26Å; R269-A302 WeakPolarHBondContact CG-O 3.48Å
270N95.7Very high92.4Very high140 Ų14062.7 Ų62.775%0.74931%0.31SS*.G310 helixtrans-9814.9178.3-61.9-46.6000113.1V268V268-N270 PolarHBondContact O-N 3Å; V268-N270 VanDerWaalsContact O-N 3.08Å
271I98.3Very high93.9Very high10 Ų1058.3 Ų58.35%0.05128%0.284CS..PPolyproline II helixtrans-101132.9179.3-58.4-61.4000109.5F266 V268 V273 A304 R305 D410 V411 V484F266-I271 HydrophobicContact CE1-CD1 4.15Å; F266-I271 HydrophobicContact CE1-CG1 4.01Å; F266-I271 HydrophobicContact CZ-CD1 4.02Å; F266-I271 HydrophobicContact CZ-CG1 4.34Å; V268-I271 HydrophobicContact CB-CB 4.5Å; V268-I271 HydrophobicContact CB-CG1 4.33Å; V268-I271 VanDerWaalsContact O-CB 3.3Å; V268-I271 WeakPolarHBondContact O-CB 3.28Å; V268-I271 PolarHBondContact O-N 2.9Å; I271-V273 HydrophobicContact CG2-CG2 4.06Å; I271-A304 WeakPolarHBondContact O-CB 3.37Å; I271-R305 PolarHBondContact O-N 3.26Å; I271-D410 WeakPolarHBondContact CA-OD2 3.25Å; I271-D410 HydrophobicContact CG2-CB 4.07Å; I271-V411 HydrophobicContact CG2-CG2 4.12Å; I271-V484 HydrophobicContact CD1-CG2 4.3Å; I271-V484 HydrophobicContact CG1-CG2 4.33Å; I271-V484 HydrophobicContact CG2-CG2 4.27Å
272C98.8Very high94.8Very high4 Ų457.9 Ų57.93%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-99.7116.6167.3-177.10000110.6R305 G408 D410 V411C272-R305 CarbonylContact C-O 3.53Å; C272-R305 WeakPolarHBondContact CA-O 3.42Å; C272-R305 HydrophobicContact CB-CB 4.41Å; C272-R305 PolarHBondContact SG-NE 2.84Å; C272-R305 PolarHBondContact SG-NH2 3.44Å; C272-G408 VanDerWaalsContact CB-O 3.25Å; C272-G408 WeakPolarHBondContact CB-O 3.29Å; C272-D410 PolarHBondContact N-OD2 3.33Å; C272-D410 PolarHBondContact O-N 3.05Å; C272-V411 PolarHBondContact O-N 3.42Å
273V98.9Very high95Very high0 Ų060.2 Ų60.20%032%0.319CS..EExtended strand (participates in β ladder)trans-100.3119.7177.4-174.70000109.6I271 I275 F299 R305 V306 E307 V411 L413I271-V273 HydrophobicContact CG2-CG2 4.06Å; V273-I275 HydrophobicContact CG1-CD1 4.29Å; V273-F299 HydrophobicContact CG1-CD2 4.45Å; V273-F299 HydrophobicContact CG2-CB 4.31Å; V273-F299 HydrophobicContact CG2-CD1 3.72Å; V273-F299 HydrophobicContact CG2-CD2 4.12Å; V273-F299 HydrophobicContact CG2-CE1 3.95Å; V273-F299 HydrophobicContact CG2-CE2 4.33Å; V273-F299 HydrophobicContact CG2-CG 3.81Å; V273-F299 HydrophobicContact CG2-CZ 4.24Å; V273-R305 PolarHBondContact N-O 3.21Å; V273-V306 HydrophobicContact CB-CG2 4.26Å; V273-V306 WeakPolarHBondContact O-CA 3.44Å; V273-E307 PolarHBondContact O-N 2.87Å; V273-V411 CarbonylContact C-O 3.6Å; V273-V411 WeakPolarHBondContact CA-O 3.46Å; V273-V411 HydrophobicContact CB-CG2 4.42Å; V273-V411 HydrophobicContact CG1-CG2 4.35Å; V273-V411 HydrophobicContact CG2-CG2 3.95Å; V273-L413 HydrophobicContact CG1-CB 3.62Å
274G98.8Very high95.4Very high0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-90.9136.9174.600000112.4E307 V411 L412 L413G274-E307 CarbonylContact C-O 3.57Å; G274-E307 WeakPolarHBondContact CA-O 3.44Å; G274-V411 PolarHBondContact N-O 3.27Å; G274-L412 WeakPolarHBondContact O-CA 3.48Å; G274-L413 PolarHBondContact O-N 3.49Å
275I98.8Very high96Very high27 Ų2753.6 Ų53.614%0.13829%0.288CS..EExtended strand (participates in β ladder)trans-112.4103.9176.1-54.5-58.6000108.8V273 K277 W292 A296 V306 E307 Q308 V309 L413V273-I275 HydrophobicContact CG1-CD1 4.29Å; I275-K277 PolarHBondContact O-N 3.29Å; I275-W292 HydrophobicContact CG2-CH2 4.06Å; I275-W292 HydrophobicContact CG2-CZ2 3.52Å; I275-A296 HydrophobicContact CD1-CB 4.18Å; I275-V306 HydrophobicContact CD1-CG1 4.16Å; I275-V306 HydrophobicContact CG1-CG1 3.69Å; I275-E307 PolarHBondContact N-O 2.85Å; I275-Q308 WeakPolarHBondContact O-CA 3.36Å; I275-V309 PolarHBondContact O-N 3.32Å; I275-L413 HydrophobicContact CD1-CB 3.91Å; I275-L413 HydrophobicContact CD1-CD2 4.16Å; I275-L413 HydrophobicContact CD1-CG 4.41Å
276P98.4Very high96.5Very high0 Ų054.4 Ų54.40%029%0.286CS..EExtended strand (participates in β ladder)trans-68.5121.8-177.2-22.434.5000112.8E278 Y279 V309 L311 L412 T414P276-E278 VanDerWaalsContact C-N 3.25Å; P276-E278 PolarHBondContact O-N 3.2Å; P276-Y279 HydrophobicContact CB-CD1 3.55Å; P276-Y279 HydrophobicContact CB-CE1 4.01Å; P276-Y279 HydrophobicContact CB-CG 3.97Å; P276-Y279 HydrophobicContact CG-CD1 4.26Å; P276-Y279 HydrophobicContact CG-CE1 4.43Å; P276-Y279 HydrophobicContact CG-CG 4.43Å; P276-Y279 PolarHBondContact O-N 2.92Å; P276-V309 HydrophobicContact CB-CG2 4.28Å; P276-V309 HydrophobicContact CG-CG2 4.06Å; P276-L311 HydrophobicContact CB-CD1 3.88Å; P276-L311 HydrophobicContact CB-CG 4.48Å; P276-L311 HydrophobicContact CG-CD1 3.77Å; P276-L412 HydrophobicContact CG-CD2 4.17Å; P276-T414 HydrophobicContact CG-CG2 3.96Å
277K97.3Very high96.7Very high99 Ų9954.8 Ų54.843%0.4329%0.289SS..G310 helixtrans-64.5-29.1179.669.8-175-178.5-164.70113.3I275 Y279 H280 Q308 V309 S310I275-K277 PolarHBondContact O-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.22Å; K277-H280 PolarHBondContact O-CD2 3.46Å; K277-Q308 HydrophobicContact CB-CG 4.03Å; K277-V309 PolarHBondContact N-O 3.42Å; K277-S310 WeakPolarHBondContact CE-OG 3.39Å; K277-S310 PolarHBondContact NZ-OG 3.33Å
278E97.6Very high96.9Very high44 Ų4451.5 Ų51.521%0.20627%0.271CS..G310 helixtrans-71.8-10.7-179.6-62.880.3-176.500113P276 H280 S310 L311P276-E278 VanDerWaalsContact C-N 3.25Å; P276-E278 PolarHBondContact O-N 3.2Å; E278-H280 VanDerWaalsContact C-N 3.32Å; E278-S310 WeakPolarHBondContact OE1-CA 3.06Å; E278-S310 PolarHBondContact OE1-OG 2.95Å; E278-S310 WeakPolarHBondContact OE2-CA 3.24Å; E278-L311 PolarHBondContact OE1-N 2.83Å; E278-L311 PolarHBondContact OE2-N 2.96Å
279Y97.1Very high97Very high6 Ų654.2 Ų54.22%0.02429%0.285CS..G310 helixtrans-89.52.5-176.1-78.748.6000113P276 K277 A281 L311 T314 T414 F442P276-Y279 HydrophobicContact CB-CD1 3.55Å; P276-Y279 HydrophobicContact CB-CE1 4.01Å; P276-Y279 HydrophobicContact CB-CG 3.97Å; P276-Y279 HydrophobicContact CG-CD1 4.26Å; P276-Y279 HydrophobicContact CG-CE1 4.43Å; P276-Y279 HydrophobicContact CG-CG 4.43Å; P276-Y279 PolarHBondContact O-N 2.92Å; K277-Y279 PolarHBondContact O-N 3.22Å; Y279-A281 PolarHBondContact O-N 2.95Å; Y279-L311 HydrophobicContact CE1-CD1 4.2Å; Y279-T314 HydrophobicContact CE1-CG2 4.14Å; Y279-T414 HydrophobicContact CD2-CG2 3.68Å; Y279-T414 HydrophobicContact CE2-CG2 3.6Å; Y279-F442 HydrophobicContact CD2-CB 4.18Å; Y279-F442 AromaticContact CD2-CD1 3.33Å; Y279-F442 HydrophobicContact CD2-CD1 3.33Å; Y279-F442 HydrophobicContact CD2-CE1 4.03Å; Y279-F442 HydrophobicContact CD2-CG 4.07Å; Y279-F442 HydrophobicContact CE2-CB 4.03Å; Y279-F442 AromaticContact CE2-CD1 3.89Å; Y279-F442 HydrophobicContact CE2-CD1 3.89Å; Y279-F442 HydrophobicContact CE2-CG 4.4Å; Y279-F442 AromaticContact CG-CD1 3.91Å; Y279-F442 HydrophobicContact CG-CD1 3.91Å; Y279-F442 HydrophobicContact CG-CE1 4.21Å; Y279-F442 VanDerWaalsContact O-CE1 3.22Å; Y279-F442 WeakPolarHBondContact O-CE1 3.26Å
280H94.5Very high97Very high103 Ų10349.3 Ų49.348%0.47728%0.279SS..  trans-72.867.3157.9-67.1-86.2000109.8K277 E278K277-H280 PolarHBondContact O-CD2 3.46Å; E278-H280 VanDerWaalsContact C-N 3.32Å
281A91.7Very high97.1Very high18 Ų1844.1 Ų44.115%0.14925%0.25CS..  trans-81.9151.4-174.200000112.2Y279 G283 L284 L418 F442Y279-A281 PolarHBondContact O-N 2.95Å; A281-G283 PolarHBondContact O-N 3.37Å; A281-L284 WeakPolarHBondContact O-CB 3.3Å; A281-L284 PolarHBondContact O-N 3.01Å; A281-L418 HydrophobicContact CB-CD2 4.25Å; A281-F442 HydrophobicContact CB-CE1 3.69Å; A281-F442 HydrophobicContact CB-CZ 3.8Å
282P92.1Very high97.1Very high127 Ų12743.9 Ų43.983%0.82525%0.249SC*.THydrogen-bonded Turntrans-54.5133.7170.2-24.234.2000111.6
283G93.8Very high97.1Very high58 Ų5846.5 Ų46.560%0.59827%0.267SS*.THydrogen-bonded Turntrans90-4.4-179.600000115.2A281 S285A281-G283 PolarHBondContact O-N 3.37Å; G283-S285 PolarHBondContact O-N 3.04Å
284L97.3Very high97.1Very high30 Ų3052.4 Ų52.416%0.15729%0.289CS..  trans-62.8121.1172.8-177.467.9000109.4A281 T288 L289 P415 L418 F442A281-L284 WeakPolarHBondContact O-CB 3.3Å; A281-L284 PolarHBondContact O-N 3.01Å; L284-T288 HydrophobicContact CD1-CG2 3.57Å; L284-L289 HydrophobicContact CD2-CB 4.13Å; L284-L289 HydrophobicContact CD2-CD1 4.15Å; L284-L289 HydrophobicContact CG-CB 4.42Å; L284-P415 HydrophobicContact CD1-CB 4.17Å; L284-P415 HydrophobicContact CD1-CG 3.96Å; L284-L418 HydrophobicContact CB-CD2 4.22Å; L284-F442 HydrophobicContact CD1-CE2 4.06Å; L284-F442 HydrophobicContact CD1-CZ 4.1Å
285S97.9Very high97.1Very high28 Ų2852.5 Ų52.520%0.19629%0.29CS..  trans-70.5152.6179.3690000111.6G283 E287 T288 L289 L418G283-S285 PolarHBondContact O-N 3.04Å; S285-E287 PolarHBondContact O-N 3.49Å; S285-T288 PolarHBondContact O-N 3.02Å; S285-T288 PolarHBondContact OG-N 2.93Å; S285-T288 VanDerWaalsContact OG-N 3.13Å; S285-T288 PolarHBondContact OG-OG1 3.44Å; S285-L289 WeakPolarHBondContact O-CB 3.22Å; S285-L289 PolarHBondContact O-N 2.62Å; S285-L418 PolarHBondContact N-O 2.93Å
286E98Very high97.1Very high172 Ų17251.8 Ų51.880%0.80429%0.288SS*.Hα-helixtrans-57.7-33.8173.4-64.4-176.4172.700111.7A290E286-A290 VanDerWaalsContact O-CB 3.22Å; E286-A290 WeakPolarHBondContact O-CB 3.19Å; E286-A290 PolarHBondContact O-N 3.15Å
287E97.6Very high97.1Very high54 Ų5455.2 Ų55.225%0.25231%0.306SS..Hα-helixtrans-68.8-45.1178.5-58.6-170.572.400112.3S285 L289 A290 Q291 S461 Q462 I467S285-E287 PolarHBondContact O-N 3.49Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-A290 PolarHBondContact O-N 3.03Å; E287-Q291 WeakPolarHBondContact O-CG 3.32Å; E287-Q291 PolarHBondContact O-N 3.13Å; E287-S461 WeakPolarHBondContact OE1-CA 3.08Å; E287-S461 WeakPolarHBondContact OE1-CB 3.38Å; E287-Q462 WeakPolarHBondContact OE1-CG 3.43Å; E287-Q462 PolarHBondContact OE1-N 2.92Å; E287-I467 HydrophobicContact CB-CD1 3.97Å
288T98.2Very high97.1Very high0 Ų052.6 Ų52.60%030%0.297CS..Hα-helixtrans-64.3-42.5175.7-56.80000110.6L284 S285 Q291 W292 P415 L418 I467L284-T288 HydrophobicContact CD1-CG2 3.57Å; S285-T288 PolarHBondContact O-N 3.02Å; S285-T288 PolarHBondContact OG-N 2.93Å; S285-T288 VanDerWaalsContact OG-N 3.13Å; S285-T288 PolarHBondContact OG-OG1 3.44Å; T288-Q291 PolarHBondContact O-N 3.2Å; T288-W292 WeakPolarHBondContact O-CB 3.42Å; T288-W292 PolarHBondContact O-N 3.24Å; T288-P415 HydrophobicContact CG2-CB 3.78Å; T288-P415 HydrophobicContact CG2-CG 4.29Å; T288-L418 PolarHBondContact OG1-O 3.39Å; T288-I467 HydrophobicContact CG2-CG2 4.36Å
289L98.3Very high97.2Very high59 Ų5950.5 Ų50.531%0.30929%0.287SS..Hα-helixtrans-61.1-45.3175.517961.3000111.5L284 S285 E287 Q291 W292 S293L284-L289 HydrophobicContact CD2-CB 4.13Å; L284-L289 HydrophobicContact CD2-CD1 4.15Å; L284-L289 HydrophobicContact CG-CB 4.42Å; S285-L289 WeakPolarHBondContact O-CB 3.22Å; S285-L289 PolarHBondContact O-N 2.62Å; E287-L289 VanDerWaalsContact C-N 3.34Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 3.1Å; L289-W292 HydrophobicContact CD1-CE3 4.15Å; L289-W292 PolarHBondContact O-N 2.87Å; L289-S293 PolarHBondContact O-N 2.99Å; L289-S293 PolarHBondContact O-OG 3.22Å
290A98.3Very high97.2Very high57 Ų5755.3 Ų55.347%0.47131%0.31SS..Hα-helixtrans-62.8-39.6177.800000112.1E286 E287 R294E286-A290 VanDerWaalsContact O-CB 3.22Å; E286-A290 WeakPolarHBondContact O-CB 3.19Å; E286-A290 PolarHBondContact O-N 3.15Å; E287-A290 PolarHBondContact O-N 3.03Å; A290-R294 VanDerWaalsContact O-CB 3.28Å; A290-R294 WeakPolarHBondContact O-CB 3.1Å; A290-R294 PolarHBondContact O-N 2.88Å
291Q98Very high97.4Very high30 Ų3058.3 Ų58.314%0.1432%0.321CS..Hα-helixtrans-65.9-41.1173.7-70.5-57.4-32.200112.1E287 T288 L289 R294 V295 I467E287-Q291 WeakPolarHBondContact O-CG 3.32Å; E287-Q291 PolarHBondContact O-N 3.13Å; T288-Q291 PolarHBondContact O-N 3.2Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 3.1Å; Q291-R294 PolarHBondContact O-N 2.99Å; Q291-V295 WeakPolarHBondContact O-CG2 3.2Å; Q291-V295 PolarHBondContact O-N 3.48Å; Q291-I467 HydrophobicContact CB-CG2 4.03Å; Q291-I467 HydrophobicContact CG-CB 4.33Å; Q291-I467 HydrophobicContact CG-CD1 3.84Å; Q291-I467 HydrophobicContact CG-CG2 4.01Å
292W98.5Very high97.7Very high5 Ų559.1 Ų59.12%0.01933%0.328CS..Hα-helixtrans-60.8-48.8176.9-173.519.6000111.5I275 T288 L289 R294 V295 A296 L413 P415 L469I275-W292 HydrophobicContact CG2-CH2 4.06Å; I275-W292 HydrophobicContact CG2-CZ2 3.52Å; T288-W292 WeakPolarHBondContact O-CB 3.42Å; T288-W292 PolarHBondContact O-N 3.24Å; L289-W292 HydrophobicContact CD1-CE3 4.15Å; L289-W292 PolarHBondContact O-N 2.87Å; W292-R294 PolarHBondContact O-N 2.83Å; W292-V295 PolarHBondContact O-N 3.18Å; W292-A296 PolarHBondContact O-N 2.81Å; W292-L413 WeakPolarHBondContact CZ2-O 3.21Å; W292-L413 PolarHBondContact NE1-O 3.49Å; W292-P415 HydrophobicContact CD2-CG 3.82Å; W292-P415 HydrophobicContact CE3-CG 3.59Å; W292-P415 HydrophobicContact CG-CG 4.25Å; W292-P415 HydrophobicContact CZ3-CG 4.06Å; W292-L469 HydrophobicContact CB-CD2 4.02Å; W292-L469 HydrophobicContact CG-CD2 4.44Å
293S98.4Very high98Very high59 Ų5955.1 Ų55.141%0.41331%0.31SS..Hα-helixtrans-60.1-44.9174.5-59.50000112L289 V295 A296 D297L289-S293 PolarHBondContact O-N 2.99Å; L289-S293 PolarHBondContact O-OG 3.22Å; S293-V295 VanDerWaalsContact C-N 3.32Å; S293-V295 PolarHBondContact O-N 3.12Å; S293-A296 WeakPolarHBondContact O-CB 3.41Å; S293-A296 PolarHBondContact O-N 3.45Å; S293-D297 PolarHBondContact O-N 2.84Å
294R98.4Very high98.2Very high125 Ų12552.8 Ų52.847%0.47229%0.285SS..Hα-helixtrans-57.5-43.7178.4174.1-177.2165.3167.7-5.9112.2A290 Q291 W292 D297 L298A290-R294 VanDerWaalsContact O-CB 3.28Å; A290-R294 WeakPolarHBondContact O-CB 3.1Å; A290-R294 PolarHBondContact O-N 2.88Å; Q291-R294 PolarHBondContact O-N 2.99Å; W292-R294 PolarHBondContact O-N 2.83Å; R294-D297 PolarHBondContact O-N 3.06Å; R294-L298 WeakPolarHBondContact O-CG 3.46Å; R294-L298 PolarHBondContact O-N 2.75Å; R294-L298 VanDerWaalsContact O-N 3.11Å
295V98.6Very high98.3Very high1 Ų157.6 Ų57.61%0.00630%0.301CS..Hα-helixtrans-73.2-34.6-179.1176.40000111.3Q291 W292 S293 L298 F299 L413 T458 L469 V488 V492Q291-V295 WeakPolarHBondContact O-CG2 3.2Å; Q291-V295 PolarHBondContact O-N 3.48Å; W292-V295 PolarHBondContact O-N 3.18Å; S293-V295 VanDerWaalsContact C-N 3.32Å; S293-V295 PolarHBondContact O-N 3.12Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 2.78Å; V295-F299 HydrophobicContact CG1-CD2 4.34Å; V295-F299 HydrophobicContact CG1-CE2 4.13Å; V295-F299 WeakPolarHBondContact O-CD2 3.35Å; V295-F299 PolarHBondContact O-N 3.16Å; V295-L413 HydrophobicContact CB-CD2 4.21Å; V295-L413 HydrophobicContact CG1-CD1 4.2Å; V295-L413 HydrophobicContact CG1-CD2 3.88Å; V295-T458 HydrophobicContact CG2-CG2 4.15Å; V295-L469 HydrophobicContact CB-CD1 3.57Å; V295-L469 HydrophobicContact CG1-CD1 4.05Å; V295-L469 HydrophobicContact CG2-CD1 3.56Å; V295-V488 HydrophobicContact CG1-CG1 4.09Å; V295-V488 HydrophobicContact CG1-CG2 4.45Å; V295-V492 HydrophobicContact CG2-CG1 4.01Å
296A98.7Very high98.3Very high12 Ų1257.6 Ų57.610%0.09930%0.3CS..Hα-helixtrans-59.4-45.3169.500000111.6I275 W292 S293 L298 F299 E300 V306 L413I275-A296 HydrophobicContact CD1-CB 4.18Å; W292-A296 PolarHBondContact O-N 2.81Å; S293-A296 WeakPolarHBondContact O-CB 3.41Å; S293-A296 PolarHBondContact O-N 3.45Å; A296-L298 VanDerWaalsContact C-N 3.26Å; A296-L298 PolarHBondContact O-N 3.32Å; A296-F299 WeakPolarHBondContact O-CB 3.12Å; A296-F299 PolarHBondContact O-N 3.11Å; A296-F299 VanDerWaalsContact O-N 3.1Å; A296-E300 PolarHBondContact O-N 3.35Å; A296-E300 VanDerWaalsContact O-N 3.11Å; A296-V306 HydrophobicContact CB-CG1 4.35Å; A296-L413 HydrophobicContact CB-CD2 4.23Å
297D98.6Very high98.3Very high72 Ų7252.1 Ų52.139%0.38527%0.274SS..Hα-helixtrans-61.1-33.7176.2-69.1-7.2000112.6S293 R294 E300 K301S293-D297 PolarHBondContact O-N 2.84Å; R294-D297 PolarHBondContact O-N 3.06Å; D297-E300 PolarHBondContact O-N 3.09Å; D297-K301 WeakPolarHBondContact O-CB 3.45Å; D297-K301 WeakPolarHBondContact O-CD 3.19Å; D297-K301 WeakPolarHBondContact O-CG 3.35Å; D297-K301 PolarHBondContact O-N 3.08Å
298L98.5Very high98.4Very high44 Ų4456.2 Ų56.223%0.2329%0.293CS..Hα-helixtrans-64.6-42175.9-71.7174.8000110.9R294 V295 A296 K301 A302 W487 V492R294-L298 WeakPolarHBondContact O-CG 3.46Å; R294-L298 PolarHBondContact O-N 2.75Å; R294-L298 VanDerWaalsContact O-N 3.11Å; V295-L298 WeakPolarHBondContact O-CB 3.48Å; V295-L298 PolarHBondContact O-N 2.78Å; A296-L298 VanDerWaalsContact C-N 3.26Å; A296-L298 PolarHBondContact O-N 3.32Å; L298-K301 PolarHBondContact O-N 3.26Å; L298-A302 WeakPolarHBondContact O-CB 3.28Å; L298-A302 PolarHBondContact O-N 3.22Å; L298-W487 HydrophobicContact CB-CH2 4.13Å; L298-V492 HydrophobicContact CD1-CG1 4.19Å
299F98.7Very high98.4Very high0 Ų056.9 Ų56.90%030%0.297CS..Hα-helixtrans-60.7-48.5174.6-83.5-69.7000111.6V268 V273 V295 A296 K301 A302 G303 A304 V306 L413 L471 V484 W487 V488V268-F299 HydrophobicContact CB-CD1 4.44Å; V268-F299 HydrophobicContact CG1-CE1 4.2Å; V273-F299 HydrophobicContact CG1-CD2 4.45Å; V273-F299 HydrophobicContact CG2-CB 4.31Å; V273-F299 HydrophobicContact CG2-CD1 3.72Å; V273-F299 HydrophobicContact CG2-CD2 4.12Å; V273-F299 HydrophobicContact CG2-CE1 3.95Å; V273-F299 HydrophobicContact CG2-CE2 4.33Å; V273-F299 HydrophobicContact CG2-CG 3.81Å; V273-F299 HydrophobicContact CG2-CZ 4.24Å; V295-F299 HydrophobicContact CG1-CD2 4.34Å; V295-F299 HydrophobicContact CG1-CE2 4.13Å; V295-F299 WeakPolarHBondContact O-CD2 3.35Å; V295-F299 PolarHBondContact O-N 3.16Å; A296-F299 WeakPolarHBondContact O-CB 3.12Å; A296-F299 PolarHBondContact O-N 3.11Å; A296-F299 VanDerWaalsContact O-N 3.1Å; F299-K301 PolarHBondContact O-N 3.19Å; F299-A302 PolarHBondContact O-N 2.92Å; F299-G303 PolarHBondContact O-N 2.75Å; F299-A304 HydrophobicContact CB-CB 4.07Å; F299-A304 HydrophobicContact CD1-CB 4.05Å; F299-A304 WeakPolarHBondContact O-CB 3.34Å; F299-A304 PolarHBondContact O-N 2.75Å; F299-V306 HydrophobicContact CB-CG2 3.67Å; F299-L413 HydrophobicContact CD2-CD2 4.3Å; F299-L413 HydrophobicContact CE2-CD2 4.29Å; F299-L471 HydrophobicContact CZ-CD2 4.47Å; F299-V484 HydrophobicContact CE1-CG1 3.77Å; F299-V484 HydrophobicContact CZ-CG1 3.62Å; F299-W487 AromaticContact CD1-CE3 3.95Å; F299-W487 HydrophobicContact CD1-CE3 3.95Å; F299-W487 HydrophobicContact CD1-CH2 4.03Å; F299-W487 AromaticContact CD1-CZ3 3.43Å; F299-W487 HydrophobicContact CD1-CZ3 3.43Å; F299-W487 VanDerWaalsContact CD1-CZ3 3.43Å; F299-W487 HydrophobicContact CD2-CZ3 4.11Å; F299-W487 HydrophobicContact CE1-CD2 4.5Å; F299-W487 AromaticContact CE1-CE3 3.47Å; F299-W487 HydrophobicContact CE1-CE3 3.47Å; F299-W487 VanDerWaalsContact CE1-CE3 3.47Å; F299-W487 HydrophobicContact CE1-CH2 4.38Å; F299-W487 AromaticContact CE1-CZ3 3.4Å; F299-W487 HydrophobicContact CE1-CZ3 3.4Å; F299-W487 HydrophobicContact CE2-CZ3 4.08Å; F299-W487 HydrophobicContact CG-CH2 4.3Å; F299-W487 AromaticContact CG-CZ3 3.81Å; F299-W487 HydrophobicContact CG-CZ3 3.81Å; F299-W487 AromaticContact CZ-CE3 3.84Å; F299-W487 HydrophobicContact CZ-CE3 3.84Å; F299-W487 AromaticContact CZ-CZ3 3.74Å; F299-W487 HydrophobicContact CZ-CZ3 3.74Å; F299-V488 HydrophobicContact CE1-CG2 4.36Å; F299-V488 HydrophobicContact CE2-CG2 3.63Å; F299-V488 HydrophobicContact CZ-CG2 3.35Å
300E98.1Very high98.4Very high107 Ų10756.1 Ų56.150%0.530%0.297SS..Hα-helixtrans-59.6-45.9177.7-69.2-168.9156.400112A296 D297 A302 G303 V306A296-E300 PolarHBondContact O-N 3.35Å; A296-E300 VanDerWaalsContact O-N 3.11Å; D297-E300 PolarHBondContact O-N 3.09Å; E300-A302 PolarHBondContact O-N 3.07Å; E300-G303 WeakPolarHBondContact O-CA 3.22Å; E300-G303 PolarHBondContact O-N 2.97Å; E300-V306 HydrophobicContact CB-CG2 4.41Å; E300-V306 HydrophobicContact CG-CB 3.59Å; E300-V306 HydrophobicContact CG-CG1 4.49Å; E300-V306 HydrophobicContact CG-CG2 3.39Å
301K98.3Very high98.4Very high166 Ų16653.4 Ų53.472%0.72228%0.275SS*.Hα-helixtrans-63-30.4178.2-74.7167.6-1741620112.9D297 L298 F299 G303D297-K301 WeakPolarHBondContact O-CB 3.45Å; D297-K301 WeakPolarHBondContact O-CD 3.19Å; D297-K301 WeakPolarHBondContact O-CG 3.35Å; D297-K301 PolarHBondContact O-N 3.08Å; L298-K301 PolarHBondContact O-N 3.26Å; F299-K301 PolarHBondContact O-N 3.19Å; K301-G303 PolarHBondContact O-N 3.49Å
302A98Very high98.4Very high36 Ų3654.3 Ų54.330%0.29828%0.283SS..THydrogen-bonded Turntrans-81-1.9174.700000113.4V268 R269 L298 F299 E300 W487V268-A302 HydrophobicContact CG2-CB 3.59Å; R269-A302 VanDerWaalsContact CG-O 3.26Å; R269-A302 WeakPolarHBondContact CG-O 3.48Å; L298-A302 WeakPolarHBondContact O-CB 3.28Å; L298-A302 PolarHBondContact O-N 3.22Å; F299-A302 PolarHBondContact O-N 2.92Å; E300-A302 PolarHBondContact O-N 3.07Å; A302-W487 HydrophobicContact CB-CH2 3.94Å; A302-W487 HydrophobicContact CB-CZ2 3.39Å
303G98.2Very high98.4Very high43 Ų4356.5 Ų56.544%0.44329%0.294SS..THydrogen-bonded Turntrans88.710.317600000114.8F299 E300 K301F299-G303 PolarHBondContact O-N 2.75Å; E300-G303 WeakPolarHBondContact O-CA 3.22Å; E300-G303 PolarHBondContact O-N 2.97Å; K301-G303 PolarHBondContact O-N 3.49Å
304A98.6Very high98.4Very high9 Ų954 Ų547%0.07428%0.276CS..  trans-70.3152.3169.700000110.3V268 I271 F299V268-A304 HydrophobicContact CB-CB 4.35Å; V268-A304 HydrophobicContact CG2-CB 4.38Å; V268-A304 WeakPolarHBondContact O-CA 3.45Å; V268-A304 VanDerWaalsContact O-CB 3.29Å; V268-A304 WeakPolarHBondContact O-CB 3.05Å; I271-A304 WeakPolarHBondContact O-CB 3.37Å; F299-A304 HydrophobicContact CB-CB 4.07Å; F299-A304 HydrophobicContact CD1-CB 4.05Å; F299-A304 WeakPolarHBondContact O-CB 3.34Å; F299-A304 PolarHBondContact O-N 2.75Å
305R98.4Very high98.2Very high131 Ų13154.1 Ų54.149%0.49428%0.282SS..EExtended strand (participates in β ladder)trans-79.4125.1169.8-173.6171.479.1-147-5.6108.3I271 C272 V273 E307 G408I271-R305 PolarHBondContact O-N 3.26Å; C272-R305 CarbonylContact C-O 3.53Å; C272-R305 WeakPolarHBondContact CA-O 3.42Å; C272-R305 HydrophobicContact CB-CB 4.41Å; C272-R305 PolarHBondContact SG-NE 2.84Å; C272-R305 PolarHBondContact SG-NH2 3.44Å; V273-R305 PolarHBondContact N-O 3.21Å; R305-E307 IonicContact CZ-OE2 3.53Å; R305-E307 IonicContact NE-OE2 3.51Å; R305-E307 PolarHBondContact NE-OE2 3.35Å; R305-E307 IonicContact NH2-OE2 2.86Å; R305-G408 PolarHBondContact NH2-O 3.21Å
306V98.6Very high98.1Very high28 Ų2859.6 Ų59.617%0.1730%0.303CS..EExtended strand (participates in β ladder)trans-115.8125.7172.7-174.90000108.1V273 I275 A296 F299 E300V273-V306 HydrophobicContact CB-CG2 4.26Å; V273-V306 WeakPolarHBondContact O-CA 3.44Å; I275-V306 HydrophobicContact CD1-CG1 4.16Å; I275-V306 HydrophobicContact CG1-CG1 3.69Å; A296-V306 HydrophobicContact CB-CG1 4.35Å; F299-V306 HydrophobicContact CB-CG2 3.67Å; E300-V306 HydrophobicContact CB-CG2 4.41Å; E300-V306 HydrophobicContact CG-CB 3.59Å; E300-V306 HydrophobicContact CG-CG1 4.49Å; E300-V306 HydrophobicContact CG-CG2 3.39Å
307E98.3Very high98Very high57 Ų5759.1 Ų59.127%0.26630%0.299SS..EExtended strand (participates in β ladder)trans-138.4146.6-176.465.8-174.4-140.800112.1V273 G274 I275 R305 V309 V409V273-E307 PolarHBondContact O-N 2.87Å; G274-E307 CarbonylContact C-O 3.57Å; G274-E307 WeakPolarHBondContact CA-O 3.44Å; I275-E307 PolarHBondContact N-O 2.85Å; R305-E307 IonicContact CZ-OE2 3.53Å; R305-E307 IonicContact NE-OE2 3.51Å; R305-E307 PolarHBondContact NE-OE2 3.35Å; R305-E307 IonicContact NH2-OE2 2.86Å; E307-V309 HydrophobicContact CG-CG1 4.24Å; E307-V409 HydrophobicContact CG-CG2 4.44Å; E307-V409 VanDerWaalsContact OE1-CG2 3.32Å; E307-V409 WeakPolarHBondContact OE1-CG2 3.45Å
308Q98.4Very high97.9Very high139 Ų13957.6 Ų57.665%0.6529%0.29SS*.EExtended strand (participates in β ladder)trans-75.6134.5173-170.2178.151.200110I275 K277I275-Q308 WeakPolarHBondContact O-CA 3.36Å; K277-Q308 HydrophobicContact CB-CG 4.03Å
309V98.7Very high97.8Very high14 Ų1459.6 Ų59.69%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-124.7170179.1-57.10000111.2I275 P276 K277 E307 V404 V409 L412I275-V309 PolarHBondContact O-N 3.32Å; P276-V309 HydrophobicContact CB-CG2 4.28Å; P276-V309 HydrophobicContact CG-CG2 4.06Å; K277-V309 PolarHBondContact N-O 3.42Å; E307-V309 HydrophobicContact CG-CG1 4.24Å; V309-V404 HydrophobicContact CB-CG1 4.05Å; V309-V404 HydrophobicContact CB-CG2 4.2Å; V309-V404 HydrophobicContact CG1-CG1 3.96Å; V309-V404 HydrophobicContact CG2-CG1 4.14Å; V309-V409 HydrophobicContact CG1-CG2 3.93Å; V309-L412 HydrophobicContact CG2-CD2 3.71Å
310S98.5Very high97.7Very high44 Ų4459.8 Ų59.831%0.30831%0.306SS..  trans-126127.1-179.9-171.80000111.2K277 E278K277-S310 WeakPolarHBondContact CE-OG 3.39Å; K277-S310 PolarHBondContact NZ-OG 3.33Å; E278-S310 WeakPolarHBondContact OE1-CA 3.06Å; E278-S310 PolarHBondContact OE1-OG 2.95Å; E278-S310 WeakPolarHBondContact OE2-CA 3.24Å
311L98.6Very high97.7Very high0 Ų055.5 Ų55.50%029%0.285CS..  trans-126.467.7173.5-60.7168.2000109.3P276 E278 Y279 H313 T314 D400 F401 V404 L412P276-L311 HydrophobicContact CB-CD1 3.88Å; P276-L311 HydrophobicContact CB-CG 4.48Å; P276-L311 HydrophobicContact CG-CD1 3.77Å; E278-L311 PolarHBondContact OE1-N 2.83Å; E278-L311 PolarHBondContact OE2-N 2.96Å; Y279-L311 HydrophobicContact CE1-CD1 4.2Å; L311-H313 PolarHBondContact O-N 3.25Å; L311-T314 HydrophobicContact CB-CG2 3.5Å; L311-T314 HydrophobicContact CD1-CG2 4.2Å; L311-T314 HydrophobicContact CG-CG2 4.4Å; L311-T314 WeakPolarHBondContact O-CB 3.19Å; L311-T314 PolarHBondContact O-N 3.25Å; L311-T314 VanDerWaalsContact O-N 3.09Å; L311-T314 PolarHBondContact O-OG1 2.93Å; L311-D400 VanDerWaalsContact C-OD2 3.26Å; L311-D400 HydrophobicContact CB-CB 4.31Å; L311-D400 HydrophobicContact CD2-CB 3.68Å; L311-F401 HydrophobicContact CD1-CD1 4.42Å; L311-F401 HydrophobicContact CD1-CE1 3.96Å; L311-F401 HydrophobicContact CD1-CZ 4.27Å; L311-F401 HydrophobicContact CD2-CD1 4.17Å; L311-F401 HydrophobicContact CD2-CE1 4.47Å; L311-F401 HydrophobicContact CD2-CG 4.3Å; L311-V404 HydrophobicContact CD2-CB 4.33Å; L311-V404 HydrophobicContact CD2-CG2 3.65Å; L311-V404 HydrophobicContact CG-CG2 4.35Å; L311-L412 HydrophobicContact CD1-CD1 3.92Å
312P98.1Very high97.6Very high48 Ų4849.1 Ų49.131%0.31226%0.258SS..THydrogen-bonded Turntrans-63.1-21.2-162.925.4-35.7000114.6Q315 D400P312-Q315 PolarHBondContact O-NE2 3.13Å; P312-D400 WeakPolarHBondContact CD-OD2 3.4Å
313H98.6Very high97.6Very high52 Ų5248.1 Ų48.124%0.24125%0.248CC..THydrogen-bonded Turntrans-93.1-7.7-178.4-54.899.4000113.5L311 Q315 Y316 L396 I397 D400L311-H313 PolarHBondContact O-N 3.25Å; H313-Q315 PolarHBondContact O-N 3.28Å; H313-Y316 HydrophobicContact CB-CD2 4.2Å; H313-Y316 WeakPolarHBondContact O-CB 3.37Å; H313-Y316 WeakPolarHBondContact O-CD2 3.4Å; H313-Y316 PolarHBondContact O-N 2.6Å; H313-L396 HydrophobicContact CB-CB 4.19Å; H313-I397 HydrophobicContact CB-CG1 3.87Å; H313-I397 WeakPolarHBondContact O-CG1 3.29Å; H313-D400 WeakPolarHBondContact CA-OD2 3.1Å; H313-D400 WeakPolarHBondContact CB-OD2 3.33Å; H313-D400 IonicContact CE1-OD1 2.75Å; H313-D400 IonicContact CG-OD1 3.4Å; H313-D400 IonicContact CG-OD2 3.88Å; H313-D400 PolarHBondContact N-OD2 3.15Å; H313-D400 VanDerWaalsContact ND1-CG 3.29Å; H313-D400 IonicContact ND1-OD1 3.51Å; H313-D400 PolarHBondContact ND1-OD1 3.19Å; H313-D400 IonicContact ND1-OD2 3.89Å; H313-D400 PolarHBondContact ND1-OD2 3.08Å
314T97.4Very high97.6Very high7 Ų746.1 Ų46.14%0.04323%0.227CC..G310 helixtrans-63.1-29.6-17854.30000113.1Y279 L311 Y316 S317 F401 P445Y279-T314 HydrophobicContact CE1-CG2 4.14Å; L311-T314 HydrophobicContact CB-CG2 3.5Å; L311-T314 HydrophobicContact CD1-CG2 4.2Å; L311-T314 HydrophobicContact CG-CG2 4.4Å; L311-T314 WeakPolarHBondContact O-CB 3.19Å; L311-T314 PolarHBondContact O-N 3.25Å; L311-T314 VanDerWaalsContact O-N 3.09Å; L311-T314 PolarHBondContact O-OG1 2.93Å; T314-Y316 PolarHBondContact O-N 3.4Å; T314-Y316 VanDerWaalsContact O-N 3.14Å; T314-S317 WeakPolarHBondContact O-CB 3.18Å; T314-S317 PolarHBondContact O-N 2.96Å; T314-S317 PolarHBondContact O-OG 3.16Å; T314-F401 HydrophobicContact CG2-CE2 4.43Å; T314-P445 HydrophobicContact CG2-CB 3.99Å; T314-P445 HydrophobicContact CG2-CG 4.17Å
315Q94.8Very high97.6Very high126 Ų12645.8 Ų45.859%0.58922%0.224SC*.G310 helixtrans-57.7-24.2171.866.1-176-50.200113.8P312 H313 S317P312-Q315 PolarHBondContact O-NE2 3.13Å; H313-Q315 PolarHBondContact O-N 3.28Å; Q315-S317 VanDerWaalsContact C-N 3.32Å
316Y96.8Very high97.6Very high117 Ų11740.1 Ų40.146%0.45920%0.203SC..G310 helixtrans-86.6-2.5177.3-55.3-60.7000113.2H313 T314 I318 V319 C320H313-Y316 HydrophobicContact CB-CD2 4.2Å; H313-Y316 WeakPolarHBondContact O-CB 3.37Å; H313-Y316 WeakPolarHBondContact O-CD2 3.4Å; H313-Y316 PolarHBondContact O-N 2.6Å; T314-Y316 PolarHBondContact O-N 3.4Å; T314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-I318 PolarHBondContact O-N 3.5Å; Y316-V319 PolarHBondContact O-N 3.29Å; Y316-C320 VanDerWaalsContact O-CB 3.23Å; Y316-C320 WeakPolarHBondContact O-CB 3.29Å; Y316-C320 PolarHBondContact O-N 3.25Å
317S96.6Very high97.5Very high1 Ų139 Ų391%0.00720%0.196CC..Hα-helixtrans-57.7-47.7-176.159.90000112.1T314 Q315 V319 C320 Y321 Q444 M448T314-S317 WeakPolarHBondContact O-CB 3.18Å; T314-S317 PolarHBondContact O-N 2.96Å; T314-S317 PolarHBondContact O-OG 3.16Å; Q315-S317 VanDerWaalsContact C-N 3.32Å; S317-V319 VanDerWaalsContact C-N 3.32Å; S317-V319 PolarHBondContact O-N 3.04Å; S317-C320 PolarHBondContact O-N 2.69Å; S317-Y321 VanDerWaalsContact O-CB 3.26Å; S317-Y321 WeakPolarHBondContact O-CB 3.28Å; S317-Y321 PolarHBondContact O-N 3.45Å; S317-Q444 PolarHBondContact O-OE1 3.11Å; S317-M448 WeakPolarHBondContact O-CE 3.32Å
318I95.9Very high97.5Very high40 Ų4037.8 Ų37.821%0.20519%0.191CC..Hα-helixtrans-54-47.9180-62.2-51.8000112.3Y316 H322 A437 V441 Q444Y316-I318 PolarHBondContact O-N 3.5Å; I318-H322 WeakPolarHBondContact O-CB 3.27Å; I318-H322 PolarHBondContact O-N 2.98Å; I318-H322 VanDerWaalsContact O-N 3.08Å; I318-A437 HydrophobicContact CG2-CB 3.67Å; I318-V441 HydrophobicContact CD1-CB 4.49Å; I318-Q444 VanDerWaalsContact CA-OE1 3.3Å
319V96.1Very high97.5Very high86 Ų8631.1 Ų31.152%0.52116%0.16SC..Hα-helixtrans-73.7-39.2-176.9-139.80000111.5Y316 S317 V323Y316-V319 PolarHBondContact O-N 3.29Å; S317-V319 VanDerWaalsContact C-N 3.32Å; S317-V319 PolarHBondContact O-N 3.04Å; V319-V323 PolarHBondContact O-N 3.33Å
320C97.8Very high97.5Very high5 Ų530.8 Ų30.83%0.03416%0.159CC..Hα-helixtrans-63.5-45.6175.9177.40000111.3Y316 S317 H322 V323 L324 A390 V393 M448Y316-C320 VanDerWaalsContact O-CB 3.23Å; Y316-C320 WeakPolarHBondContact O-CB 3.29Å; Y316-C320 PolarHBondContact O-N 3.25Å; S317-C320 PolarHBondContact O-N 2.69Å; C320-H322 VanDerWaalsContact C-N 3.35Å; C320-H322 PolarHBondContact O-N 3.28Å; C320-V323 PolarHBondContact O-N 2.95Å; C320-L324 WeakPolarHBondContact O-CG 3.44Å; C320-L324 PolarHBondContact O-N 3.09Å; C320-L324 VanDerWaalsContact O-N 3.13Å; C320-A390 PolarHBondContact SG-O 2.76Å; C320-V393 HydrophobicContact CB-CB 4.45Å; C320-V393 HydrophobicContact CB-CG1 3.97Å; C320-M448 HydrophobicContact CB-CE 3.85Å; C320-M448 HydrophobicContact CB-SD 4.23Å
321Y97.7Very high97.4Very high16 Ų1632.7 Ų32.76%0.06317%0.171CC..Hα-helixtrans-61-46.7178.8179.1-102.8000110.1T187 M222 S317 V323 L324 C325 Q444 M448T187-Y321 HydrophobicContact CG2-CE2 4.13Å; T187-Y321 WeakPolarHBondContact CG2-OH 3.37Å; T187-Y321 WeakPolarHBondContact O-CE2 3.48Å; M222-Y321 HydrophobicContact SD-CD2 3.75Å; M222-Y321 HydrophobicContact SD-CE2 3.94Å; S317-Y321 VanDerWaalsContact O-CB 3.26Å; S317-Y321 WeakPolarHBondContact O-CB 3.28Å; S317-Y321 PolarHBondContact O-N 3.45Å; Y321-V323 VanDerWaalsContact C-N 3.32Å; Y321-V323 PolarHBondContact O-N 3Å; Y321-L324 PolarHBondContact O-N 3.03Å; Y321-C325 HydrophobicContact CD1-CB 4.14Å; Y321-C325 HydrophobicContact CD2-CB 4.47Å; Y321-C325 HydrophobicContact CE1-CB 3.91Å; Y321-C325 HydrophobicContact CE2-CB 4.25Å; Y321-C325 HydrophobicContact CG-CB 4.42Å; Y321-C325 WeakPolarHBondContact O-CA 3.16Å; Y321-C325 WeakPolarHBondContact O-CB 3.23Å; Y321-C325 PolarHBondContact O-N 3.19Å; Y321-Q444 HydrophobicContact CD2-CG 4.34Å; Y321-Q444 HydrophobicContact CG-CG 4.21Å; Y321-M448 VanDerWaalsContact CA-CE 3.44Å; Y321-M448 HydrophobicContact CD2-CE 4.44Å; Y321-M448 HydrophobicContact CG-CE 4.41Å
322H96.2Very high97.3Very high33 Ų3333 Ų3315%0.15317%0.174CC..Hα-helixtrans-52.9-48.6179.2-175.986.3000112.2I318 C320 H326I318-H322 WeakPolarHBondContact O-CB 3.27Å; I318-H322 PolarHBondContact O-N 2.98Å; I318-H322 VanDerWaalsContact O-N 3.08Å; C320-H322 VanDerWaalsContact C-N 3.35Å; C320-H322 PolarHBondContact O-N 3.28Å; H322-H326 AromaticContact CE1-CE1 2.98Å; H322-H326 PolarHBondContact CE1-CE1 2.74Å; H322-H326 AromaticContact CE1-ND1 3.62Å; H322-H326 AromaticContact CE1-NE2 3.45Å; H322-H326 PolarHBondContact CE1-NE2 3.37Å; H322-H326 AromaticContact ND1-CE1 3.44Å; H322-H326 PolarHBondContact ND1-CE1 3.47Å; H322-H326 AromaticContact ND1-NE2 3.38Å; H322-H326 PolarHBondContact ND1-NE2 2.9Å; H322-H326 AromaticContact NE2-CE1 3.49Å; H322-H326 PolarHBondContact NE2-CE1 3.29Å; H322-H326 AromaticContact NE2-ND1 3.64Å; H322-H326 VanDerWaalsContact O-CB 3.23Å; H322-H326 WeakPolarHBondContact O-CB 3.4Å; H322-H326 PolarHBondContact O-CD2 2.77Å; H322-H326 PolarHBondContact O-N 3.49Å
323V98Very high97.3Very high15 Ų1530.8 Ų30.89%0.09116%0.159CC..Hα-helixtrans-65.1-49.3179.7175.40000111.7V319 C320 Y321 A327 F377 A390V319-V323 PolarHBondContact O-N 3.33Å; C320-V323 PolarHBondContact O-N 2.95Å; Y321-V323 VanDerWaalsContact C-N 3.32Å; Y321-V323 PolarHBondContact O-N 3Å; V323-A327 VanDerWaalsContact O-CB 3.31Å; V323-A327 WeakPolarHBondContact O-CB 3.35Å; V323-A327 PolarHBondContact O-N 3.27Å; V323-F377 HydrophobicContact CB-CD2 4.42Å; V323-F377 HydrophobicContact CB-CE2 4.42Å; V323-F377 HydrophobicContact CG1-CD2 4.12Å; V323-F377 HydrophobicContact CG1-CG 4.22Å; V323-F377 HydrophobicContact CG2-CE2 4.24Å; V323-F377 HydrophobicContact CG2-CZ 4.24Å; V323-A390 HydrophobicContact CB-CB 3.85Å; V323-A390 HydrophobicContact CG1-CB 3.73Å
324L98.1Very high97.2Very high1 Ų131.2 Ų31.21%0.00517%0.171CC..Hα-helixtrans-67.7-44.1-176.8-63.7179.2000111.9M222 C320 Y321 A327 E328 F387 A390 Q391 R394M222-L324 HydrophobicContact CE-CB 4.04Å; M222-L324 HydrophobicContact CE-CD1 3.54Å; M222-L324 HydrophobicContact CE-CG 4.44Å; C320-L324 WeakPolarHBondContact O-CG 3.44Å; C320-L324 PolarHBondContact O-N 3.09Å; C320-L324 VanDerWaalsContact O-N 3.13Å; Y321-L324 PolarHBondContact O-N 3.03Å; L324-A327 PolarHBondContact O-N 3.07Å; L324-E328 PolarHBondContact O-N 3.06Å; L324-F387 HydrophobicContact CD2-CD2 4.02Å; L324-F387 HydrophobicContact CD2-CE2 3.89Å; L324-A390 HydrophobicContact CD2-CB 3.75Å; L324-A390 HydrophobicContact CG-CB 3.86Å; L324-Q391 HydrophobicContact CD2-CG 3.85Å; L324-R394 HydrophobicContact CD1-CB 4.07Å; L324-R394 HydrophobicContact CD1-CG 4.37Å
325C97.8Very high97.2Very high1 Ų136.8 Ų36.81%0.00719%0.191CC..Hα-helixtrans-59.4-51.2177.4-179.80000110.7V219 Y321 A327 E328 V329V219-C325 HydrophobicContact CG2-CB 3.78Å; V219-C325 VanDerWaalsContact CG2-SG 3.58Å; Y321-C325 HydrophobicContact CD1-CB 4.14Å; Y321-C325 HydrophobicContact CD2-CB 4.47Å; Y321-C325 HydrophobicContact CE1-CB 3.91Å; Y321-C325 HydrophobicContact CE2-CB 4.25Å; Y321-C325 HydrophobicContact CG-CB 4.42Å; Y321-C325 WeakPolarHBondContact O-CA 3.16Å; Y321-C325 WeakPolarHBondContact O-CB 3.23Å; Y321-C325 PolarHBondContact O-N 3.19Å; C325-A327 VanDerWaalsContact C-N 3.35Å; C325-A327 PolarHBondContact O-N 3.22Å; C325-E328 PolarHBondContact O-N 3.16Å; C325-V329 VanDerWaalsContact O-CB 3.32Å; C325-V329 WeakPolarHBondContact O-CB 3.39Å; C325-V329 WeakPolarHBondContact O-CG2 3.43Å; C325-V329 PolarHBondContact O-N 2.55Å
326H97.9Very high97.4Very high13 Ų1331 Ų316%0.0617%0.165CC..Hα-helixtrans-64.9-40.8-177.5-71.5-151.3000111.4H322 V329 A330 R370 S373 G374 F377H322-H326 AromaticContact CE1-CE1 2.98Å; H322-H326 PolarHBondContact CE1-CE1 2.74Å; H322-H326 AromaticContact CE1-ND1 3.62Å; H322-H326 AromaticContact CE1-NE2 3.45Å; H322-H326 PolarHBondContact CE1-NE2 3.37Å; H322-H326 AromaticContact ND1-CE1 3.44Å; H322-H326 PolarHBondContact ND1-CE1 3.47Å; H322-H326 AromaticContact ND1-NE2 3.38Å; H322-H326 PolarHBondContact ND1-NE2 2.9Å; H322-H326 AromaticContact NE2-CE1 3.49Å; H322-H326 PolarHBondContact NE2-CE1 3.29Å; H322-H326 AromaticContact NE2-ND1 3.64Å; H322-H326 VanDerWaalsContact O-CB 3.23Å; H322-H326 WeakPolarHBondContact O-CB 3.4Å; H322-H326 PolarHBondContact O-CD2 2.77Å; H322-H326 PolarHBondContact O-N 3.49Å; H326-V329 PolarHBondContact O-N 2.85Å; H326-A330 PolarHBondContact O-N 2.78Å; H326-R370 WeakPolarHBondContact NE2-CD 3.3Å; H326-R370 WeakPolarHBondContact NE2-CG 3.37Å; H326-S373 VanDerWaalsContact ND1-CB 3.28Å; H326-S373 WeakPolarHBondContact ND1-CB 3.4Å; H326-G374 VanDerWaalsContact C-CA 3.42Å; H326-G374 WeakPolarHBondContact O-CA 3.2Å; H326-F377 HydrophobicContact CB-CD2 4.08Å; H326-F377 HydrophobicContact CB-CE2 3.91Å
327A98.1Very high97.4Very high3 Ų327.3 Ų27.33%0.02515%0.152CC..Hα-helixtrans-59.8-47.1176.100000112.2V323 L324 C325 A330 S331 L378 F387V323-A327 VanDerWaalsContact O-CB 3.31Å; V323-A327 WeakPolarHBondContact O-CB 3.35Å; V323-A327 PolarHBondContact O-N 3.27Å; L324-A327 PolarHBondContact O-N 3.07Å; C325-A327 VanDerWaalsContact C-N 3.35Å; C325-A327 PolarHBondContact O-N 3.22Å; A327-A330 PolarHBondContact O-N 3.32Å; A327-S331 PolarHBondContact O-N 3.14Å; A327-L378 HydrophobicContact CB-CD1 4.2Å; A327-L378 HydrophobicContact CB-CD2 4.04Å; A327-L378 HydrophobicContact CB-CG 4.03Å; A327-L378 WeakPolarHBondContact O-CD1 3.22Å; A327-F387 HydrophobicContact CB-CD2 3.56Å; A327-F387 HydrophobicContact CB-CE2 3.84Å
328E98.1Very high97.4Very high32 Ų3227.5 Ų27.515%0.1515%0.154CC..Hα-helixtrans-69.3-36.7176.9-72.2-160.6-131.700112.5V219 N220 S221 L324 C325 A330 S331 N332V219-E328 HydrophobicContact CG1-CB 4.1Å; V219-E328 HydrophobicContact CG1-CG 4.09Å; V219-E328 WeakPolarHBondContact CG1-OE1 3.48Å; N220-E328 WeakPolarHBondContact CA-OE2 3.34Å; N220-E328 WeakPolarHBondContact CB-OE2 3.31Å; N220-E328 PolarHBondContact N-OE2 3.47Å; S221-E328 WeakPolarHBondContact CB-OE1 3.45Å; S221-E328 PolarHBondContact N-OE2 3.1Å; S221-E328 PolarHBondContact OG-OE1 3.08Å; L324-E328 PolarHBondContact O-N 3.06Å; C325-E328 PolarHBondContact O-N 3.16Å; E328-A330 PolarHBondContact O-N 3.36Å; E328-S331 PolarHBondContact O-N 3.09Å; E328-N332 VanDerWaalsContact O-CB 3.29Å; E328-N332 WeakPolarHBondContact O-CB 3.17Å; E328-N332 VanDerWaalsContact O-CG 3.28Å; E328-N332 PolarHBondContact O-N 3.28Å; E328-N332 PolarHBondContact O-ND2 3.43Å
329V98.1Very high97.3Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-59.1-45.2174.5162.80000111.7M126 L218 C325 H326 S331 N332 M333 R370 I371M126-V329 HydrophobicContact CE-CB 4.42Å; M126-V329 HydrophobicContact CE-CG1 3.65Å; M126-V329 HydrophobicContact CE-CG2 3.81Å; M126-V329 HydrophobicContact SD-CG1 4.41Å; L218-V329 HydrophobicContact CD1-CG2 3.46Å; L218-V329 VanDerWaalsContact CD1-CG2 3.46Å; L218-V329 HydrophobicContact CG-CG2 4.4Å; C325-V329 VanDerWaalsContact O-CB 3.32Å; C325-V329 WeakPolarHBondContact O-CB 3.39Å; C325-V329 WeakPolarHBondContact O-CG2 3.43Å; C325-V329 PolarHBondContact O-N 2.55Å; H326-V329 PolarHBondContact O-N 2.85Å; V329-S331 PolarHBondContact O-N 3.41Å; V329-N332 PolarHBondContact O-N 2.86Å; V329-M333 HydrophobicContact CG1-CG 3.83Å; V329-M333 VanDerWaalsContact O-CB 3.22Å; V329-M333 WeakPolarHBondContact O-CB 3.28Å; V329-M333 WeakPolarHBondContact O-CG 3.43Å; V329-M333 PolarHBondContact O-N 3.42Å; V329-R370 HydrophobicContact CB-CB 4.47Å; V329-R370 HydrophobicContact CG1-CB 3.85Å; V329-I371 HydrophobicContact CG1-CG1 3.94Å
330A97.8Very high97.3Very high7 Ų733.4 Ų33.46%0.05818%0.178CC..Hα-helixtrans-56.9-39.5178.300000112.1H326 A327 E328 L378H326-A330 PolarHBondContact O-N 2.78Å; A327-A330 PolarHBondContact O-N 3.32Å; E328-A330 PolarHBondContact O-N 3.36Å; A330-L378 HydrophobicContact CB-CD1 4.47Å
331S97.2Very high97.2Very high83 Ų8336.2 Ų36.258%0.5819%0.188SC*.Hα-helixtrans-75.2-52.7175.8-176.50000112.5A327 E328 V329 M333 A334A327-S331 PolarHBondContact O-N 3.14Å; E328-S331 PolarHBondContact O-N 3.09Å; V329-S331 PolarHBondContact O-N 3.41Å; S331-M333 VanDerWaalsContact C-N 3.31Å; S331-M333 PolarHBondContact O-N 3.19Å; S331-A334 VanDerWaalsContact O-CB 3.24Å; S331-A334 WeakPolarHBondContact O-CB 3.36Å; S331-A334 PolarHBondContact O-N 3.04Å; S331-A334 VanDerWaalsContact O-N 3.11Å
332N97.4Very high97.2Very high8 Ų837 Ų374%0.04320%0.202CC..Hα-helixtrans-60.8-40.3-174.6-76.5-26.5000112.6P217 L218 N220 E328 V329 A334 R335P217-N332 HydrophobicContact CG-CB 4.38Å; L218-N332 PolarHBondContact O-ND2 2.97Å; N220-N332 PolarHBondContact ND2-ND2 2.81Å; N220-N332 PolarHBondContact ND2-OD1 3.44Å; E328-N332 VanDerWaalsContact O-CB 3.29Å; E328-N332 WeakPolarHBondContact O-CB 3.17Å; E328-N332 VanDerWaalsContact O-CG 3.28Å; E328-N332 PolarHBondContact O-N 3.28Å; E328-N332 PolarHBondContact O-ND2 3.43Å; V329-N332 PolarHBondContact O-N 2.86Å; N332-A334 VanDerWaalsContact C-N 3.27Å; N332-A334 PolarHBondContact O-N 2.81Å; N332-R335 WeakPolarHBondContact O-CG 3.12Å; N332-R335 PolarHBondContact O-NE 3.05Å
333M97.3Very high97.3Very high1 Ų138.3 Ų38.31%0.00521%0.207CC..G310 helixtrans-79.3-7.5-178.1-60.2-64.8132.100113.1F124 M126 P217 V329 S331 R335 F336 R359 I371F124-M333 HydrophobicContact CB-CE 4.44Å; F124-M333 HydrophobicContact CD1-CE 4.03Å; F124-M333 HydrophobicContact CD1-SD 3.94Å; F124-M333 HydrophobicContact CE1-SD 4.28Å; F124-M333 HydrophobicContact CG-CE 4.39Å; F124-M333 HydrophobicContact CG-SD 4.08Å; M126-M333 HydrophobicContact CE-CE 4.11Å; M126-M333 HydrophobicContact CE-CG 4.26Å; M126-M333 HydrophobicContact CE-SD 4.21Å; P217-M333 WeakPolarHBondContact O-CE 3.48Å; V329-M333 HydrophobicContact CG1-CG 3.83Å; V329-M333 VanDerWaalsContact O-CB 3.22Å; V329-M333 WeakPolarHBondContact O-CB 3.28Å; V329-M333 WeakPolarHBondContact O-CG 3.43Å; V329-M333 PolarHBondContact O-N 3.42Å; S331-M333 VanDerWaalsContact C-N 3.31Å; S331-M333 PolarHBondContact O-N 3.19Å; M333-R335 PolarHBondContact O-N 3.06Å; M333-F336 HydrophobicContact CB-CD2 4.28Å; M333-F336 HydrophobicContact CE-CE2 4.21Å; M333-F336 PolarHBondContact O-N 3.17Å; M333-F336 HydrophobicContact SD-CD2 3.82Å; M333-F336 HydrophobicContact SD-CE2 3.53Å; M333-F336 VanDerWaalsContact SD-CE2 3.53Å; M333-R359 PolarHBondContact O-NH1 2.95Å; M333-I371 HydrophobicContact CB-CD1 4.02Å; M333-I371 HydrophobicContact CB-CG1 4.14Å; M333-I371 HydrophobicContact CG-CD1 4.44Å; M333-I371 HydrophobicContact CG-CG1 4.42Å
334A96.9Very high97.3Very high60 Ų6044.1 Ų44.150%0.49623%0.228SC..G310 helixtrans-62.8-25.6-179.600000112.9S331 N332 F336S331-A334 VanDerWaalsContact O-CB 3.24Å; S331-A334 WeakPolarHBondContact O-CB 3.36Å; S331-A334 PolarHBondContact O-N 3.04Å; S331-A334 VanDerWaalsContact O-N 3.11Å; N332-A334 VanDerWaalsContact C-N 3.27Å; N332-A334 PolarHBondContact O-N 2.81Å; A334-F336 PolarHBondContact O-N 2.82Å
335R97.1Very high97.2Very high124 Ų12444.4 Ų44.447%0.46823%0.23SC..G310 helixtrans-67.6-16.1178.773.9-176.172.2-159.6-1.9115.1N332 M333 D337 Y341N332-R335 WeakPolarHBondContact O-CG 3.12Å; N332-R335 PolarHBondContact O-NE 3.05Å; M333-R335 PolarHBondContact O-N 3.06Å; R335-D337 PolarHBondContact O-N 2.77Å; R335-Y341 WeakPolarHBondContact CD-OH 3.4Å; R335-Y341 WeakPolarHBondContact CG-OH 3.49Å
336F98Very high97.2Very high6 Ų652.9 Ų52.93%0.02627%0.27CS..  trans-93.290-178.5-58-66.8000108.9M92 L93 F124 I216 M333 A334 Y341 R359 F363M92-F336 HydrophobicContact CE-CB 4.28Å; M92-F336 HydrophobicContact CG-CB 3.88Å; M92-F336 HydrophobicContact CG-CD1 4.23Å; M92-F336 HydrophobicContact CG-CG 4.17Å; M92-F336 HydrophobicContact SD-CB 4.03Å; L93-F336 HydrophobicContact CD1-CD1 4.49Å; L93-F336 HydrophobicContact CD1-CE1 3.76Å; L93-F336 HydrophobicContact CD1-CZ 4.25Å; L93-F336 HydrophobicContact CD2-CD1 4Å; L93-F336 HydrophobicContact CD2-CE1 3.9Å; L93-F336 HydrophobicContact CG-CD1 4.43Å; L93-F336 HydrophobicContact CG-CE1 4.16Å; F124-F336 HydrophobicContact CD1-CE2 4.43Å; F124-F336 HydrophobicContact CE1-CD2 4.39Å; F124-F336 HydrophobicContact CE1-CE1 4.21Å; F124-F336 AromaticContact CE1-CE2 3.69Å; F124-F336 HydrophobicContact CE1-CE2 3.69Å; F124-F336 AromaticContact CE1-CZ 3.58Å; F124-F336 HydrophobicContact CE1-CZ 3.58Å; F124-F336 HydrophobicContact CZ-CD2 4.36Å; F124-F336 HydrophobicContact CZ-CE1 4.35Å; F124-F336 HydrophobicContact CZ-CE2 4.09Å; F124-F336 HydrophobicContact CZ-CZ 4.09Å; I216-F336 HydrophobicContact CG2-CZ 3.99Å; M333-F336 HydrophobicContact CB-CD2 4.28Å; M333-F336 HydrophobicContact CE-CE2 4.21Å; M333-F336 PolarHBondContact O-N 3.17Å; M333-F336 HydrophobicContact SD-CD2 3.82Å; M333-F336 HydrophobicContact SD-CE2 3.53Å; M333-F336 VanDerWaalsContact SD-CE2 3.53Å; A334-F336 PolarHBondContact O-N 2.82Å; F336-Y341 AromaticContact CD1-CE2 3.73Å; F336-Y341 HydrophobicContact CD1-CE2 3.73Å; F336-Y341 AromaticContact CE1-CE2 3.74Å; F336-Y341 HydrophobicContact CE1-CE2 3.74Å; F336-R359 WeakPolarHBondContact O-CG 3.45Å; F336-R359 PolarHBondContact O-NH1 2.78Å; F336-F363 HydrophobicContact CB-CE1 4.4Å; F336-F363 HydrophobicContact CB-CE2 4.4Å; F336-F363 HydrophobicContact CB-CZ 3.62Å; F336-F363 HydrophobicContact CD2-CE1 4.34Å; F336-F363 AromaticContact CD2-CZ 3.9Å; F336-F363 HydrophobicContact CD2-CZ 3.9Å; F336-F363 HydrophobicContact CG-CZ 4.07Å
337D96.9Very high96.9Very high38 Ų3856.8 Ų56.820%0.20329%0.289CS..SBendtrans-126.2-6.2-173.262.59.6000113.5R335 L339 Y355R335-D337 PolarHBondContact O-N 2.77Å; D337-L339 PolarHBondContact OD1-N 3.36Å; D337-Y355 HydrophobicContact CB-CD1 3.73Å; D337-Y355 HydrophobicContact CB-CE1 3.77Å
338G96.1Very high96.6Very high5 Ų566 Ų665%0.05233%0.329CS..SBendtrans79.211.4179.400000114.9H343 R344G338-H343 WeakPolarHBondContact CA-O 3.04Å; G338-R344 VanDerWaalsContact O-CD 3.28Å; G338-R344 WeakPolarHBondContact O-CD 3.44Å; G338-R344 WeakPolarHBondContact O-CG 3.35Å
339L95.2Very high96.5Very high79 Ų7968.6 Ų68.641%0.41435%0.35SS..SBendtrans-83-57.8176.8-73.9-179.6000112.8D337 M354 Y355D337-L339 PolarHBondContact OD1-N 3.36Å; L339-M354 HydrophobicContact CD2-CE 3.84Å; L339-M354 HydrophobicContact CG-CE 4.39Å; L339-Y355 HydrophobicContact CD1-CE1 3.8Å; L339-Y355 WeakPolarHBondContact CD1-OH 3.46Å; L339-Y355 HydrophobicContact CD2-CE1 4.45Å; L339-Y355 HydrophobicContact CG-CE1 3.86Å
340E95.1Very high96.4Very high171 Ų17170.7 Ų70.780%0.79937%0.365SS*.SBendtrans-87.7-34-174.1-66-172.417700112.5
341Y96.9Very high96.2Very high64 Ų6474 Ų7425%0.25139%0.385SS..SBendtrans-163.3166.9-176.654.9-89.5000111.8L93 Y96 R335 F336L93-Y341 HydrophobicContact CD2-CD2 3.9Å; L93-Y341 HydrophobicContact CD2-CE2 4.16Å; Y96-Y341 HydrophobicContact CD2-CD2 4.14Å; Y96-Y341 HydrophobicContact CD2-CG 4.21Å; Y96-Y341 HydrophobicContact CE2-CD2 4.12Å; Y96-Y341 AromaticContact CE2-CG 4Å; Y96-Y341 HydrophobicContact CE2-CG 4Å; R335-Y341 WeakPolarHBondContact CD-OH 3.4Å; R335-Y341 WeakPolarHBondContact CG-OH 3.49Å; F336-Y341 AromaticContact CD1-CE2 3.73Å; F336-Y341 HydrophobicContact CD1-CE2 3.73Å; F336-Y341 AromaticContact CE1-CE2 3.74Å; F336-Y341 HydrophobicContact CE1-CE2 3.74Å
342G97.3Very high96.2Very high34 Ų3476.4 Ų76.435%0.35139%0.386SS..SBendtrans83.2-163.6176.700000113.5M92M92-G342 CarbonylContact O-C 3.46Å; M92-G342 WeakPolarHBondContact O-CA 3.16Å
343H98.1Very high96.2Very high59 Ų5978.4 Ų78.427%0.27340%0.399SS..  trans-63.4142.1177.9-179.260.9000110.8M92 G338 T358 E361M92-H343 PolarHBondContact O-N 2.96Å; M92-H343 HydrophobicContact SD-CB 4.1Å; G338-H343 WeakPolarHBondContact CA-O 3.04Å; H343-T358 WeakPolarHBondContact O-CG2 3.38Å; H343-E361 IonicContact CD2-OE2 3.74Å; H343-E361 IonicContact CE1-OE2 2.65Å; H343-E361 WeakPolarHBondContact NE2-CB 3.38Å; H343-E361 IonicContact NE2-OE2 2.69Å; H343-E361 PolarHBondContact NE2-OE2 3.09Å
344R97.6Very high96.2Very high137 Ų13779 Ų7952%0.51740%0.402SS..  trans-136.6125.6172.1-172.9-177.9-176.5155.3-1.1109G338 M354G338-R344 VanDerWaalsContact O-CD 3.28Å; G338-R344 WeakPolarHBondContact O-CD 3.44Å; G338-R344 WeakPolarHBondContact O-CG 3.35Å; R344-M354 HydrophobicContact CG-SD 4.45Å; R344-M354 PolarHBondContact NE-SD 2.95Å; R344-M354 VanDerWaalsContact NE-SD 3.37Å; R344-M354 PolarHBondContact NH2-SD 2.71Å
345S97.4Very high96.2Very high8 Ų880 Ų806%0.05639%0.393CS..  trans-65.7147176.2-177.30000111.4M347 S357 T358 E361S345-M347 PolarHBondContact O-N 3.27Å; S345-M347 WeakPolarHBondContact OG-CG 3.25Å; S345-M347 PolarHBondContact OG-N 2.72Å; S345-S357 VanDerWaalsContact OG-CB 3.3Å; S345-S357 WeakPolarHBondContact OG-CB 3.23Å; S345-T358 WeakPolarHBondContact CB-OG1 3.29Å; S345-T358 PolarHBondContact N-OG1 3.14Å; S345-E361 WeakPolarHBondContact CA-OE2 3.19Å; S345-E361 WeakPolarHBondContact CB-OE1 3.43Å; S345-E361 VanDerWaalsContact CB-OE2 3.32Å; S345-E361 WeakPolarHBondContact CB-OE2 3.34Å; S345-E361 PolarHBondContact OG-OE1 3.09Å; S345-E361 PolarHBondContact OG-OE2 2.88Å
346E96Very high96.2Very high179 Ų17977 Ų7784%0.83640%0.395SS*.  trans-77.1-5.6175.1-62.5-169.9158.900113.2K348E346-K348 VanDerWaalsContact O-CG 3.26Å; E346-K348 WeakPolarHBondContact O-CG 3.34Å; E346-K348 PolarHBondContact O-N 3.47Å
347M93.1Very high96.2Very high94 Ų9477.9 Ų77.946%0.46340%0.402SS..  trans-63.8126.1-179.6-67.2-64.8-73.900111.9S345 V353S345-M347 PolarHBondContact O-N 3.27Å; S345-M347 WeakPolarHBondContact OG-CG 3.25Å; S345-M347 PolarHBondContact OG-N 2.72Å; M347-V353 HydrophobicContact CB-CG1 4.28Å; M347-V353 HydrophobicContact CE-CG1 4.2Å
348K91.9Very high96.3Very high198 Ų19876 Ų7686%0.86139%0.392SS*.  trans-11711.3-173.9-53.6-173.9-177.6172.40115E346E346-K348 VanDerWaalsContact O-CG 3.26Å; E346-K348 WeakPolarHBondContact O-CG 3.34Å; E346-K348 PolarHBondContact O-N 3.47Å
349S94.2Very high96.3Very high86 Ų8678.1 Ų78.160%0.60140%0.398SS*.SBendtrans-69.5-41.6-174.350.10000113.3V353S349-V353 VanDerWaalsContact OG-CB 3.3Å; S349-V353 WeakPolarHBondContact OG-CB 3.43Å; S349-V353 VanDerWaalsContact OG-CG1 3.25Å; S349-V353 WeakPolarHBondContact OG-CG1 3.18Å
350S96.4Very high96.5Very high44 Ų4480 Ų8031%0.30841%0.405SS..  trans-158.6167.7170.486.80000110.4E352 V353 M354S350-E352 VanDerWaalsContact C-N 3.31Å; S350-E352 VanDerWaalsContact CB-OE2 3.24Å; S350-E352 WeakPolarHBondContact CB-OE2 3.3Å; S350-E352 PolarHBondContact O-N 3.2Å; S350-E352 PolarHBondContact OG-N 3.11Å; S350-E352 PolarHBondContact OG-OE2 2.9Å; S350-V353 PolarHBondContact O-N 2.83Å; S350-V353 PolarHBondContact OG-N 3.17Å; S350-M354 WeakPolarHBondContact O-CB 3.43Å; S350-M354 PolarHBondContact O-N 2.59Å
351T94.8Very high96.6Very high77 Ų7775.6 Ų75.647%0.47238%0.384SS..Hα-helixtrans-61.9-40175.1-55.80000111.8M354 Y355T351-M354 WeakPolarHBondContact O-CB 3.27Å; T351-M354 PolarHBondContact O-N 3.09Å; T351-Y355 HydrophobicContact CG2-CD2 4.06Å; T351-Y355 HydrophobicContact CG2-CE1 4.34Å; T351-Y355 HydrophobicContact CG2-CE2 3.5Å; T351-Y355 VanDerWaalsContact CG2-CE2 3.5Å; T351-Y355 WeakPolarHBondContact O-CD2 3.26Å; T351-Y355 PolarHBondContact O-N 3.09Å
352E96.1Very high96.7Very high133 Ų13372.6 Ų72.662%0.62137%0.373SS*.Hα-helixtrans-63.4-43.9178.4-58.275.2-165.700111.4S350 Y355 A356S350-E352 VanDerWaalsContact C-N 3.31Å; S350-E352 VanDerWaalsContact CB-OE2 3.24Å; S350-E352 WeakPolarHBondContact CB-OE2 3.3Å; S350-E352 PolarHBondContact O-N 3.2Å; S350-E352 PolarHBondContact OG-N 3.11Å; S350-E352 PolarHBondContact OG-OE2 2.9Å; E352-Y355 PolarHBondContact O-N 2.95Å; E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.4Å
353V96.8Very high96.7Very high50 Ų5071.2 Ų71.230%0.30336%0.357SS..Hα-helixtrans-65.6-42.2176.1177.20000110.3M347 S349 S350 Y355 A356 S357M347-V353 HydrophobicContact CB-CG1 4.28Å; M347-V353 HydrophobicContact CE-CG1 4.2Å; S349-V353 VanDerWaalsContact OG-CB 3.3Å; S349-V353 WeakPolarHBondContact OG-CB 3.43Å; S349-V353 VanDerWaalsContact OG-CG1 3.25Å; S349-V353 WeakPolarHBondContact OG-CG1 3.18Å; S350-V353 PolarHBondContact O-N 2.83Å; S350-V353 PolarHBondContact OG-N 3.17Å; V353-Y355 PolarHBondContact O-N 2.83Å; V353-A356 PolarHBondContact O-N 3.48Å; V353-S357 VanDerWaalsContact O-CB 3.29Å; V353-S357 WeakPolarHBondContact O-CB 3.27Å; V353-S357 PolarHBondContact O-N 2.87Å; V353-S357 PolarHBondContact O-OG 3.02Å
354M97.4Very high96.6Very high14 Ų1470.2 Ų70.27%0.06935%0.354CS..Hα-helixtrans-58-46.1176-175.6-156.573.400111.5L339 R344 S350 T351 T358L339-M354 HydrophobicContact CD2-CE 3.84Å; L339-M354 HydrophobicContact CG-CE 4.39Å; R344-M354 HydrophobicContact CG-SD 4.45Å; R344-M354 PolarHBondContact NE-SD 2.95Å; R344-M354 VanDerWaalsContact NE-SD 3.37Å; R344-M354 PolarHBondContact NH2-SD 2.71Å; S350-M354 WeakPolarHBondContact O-CB 3.43Å; S350-M354 PolarHBondContact O-N 2.59Å; T351-M354 WeakPolarHBondContact O-CB 3.27Å; T351-M354 PolarHBondContact O-N 3.09Å; M354-T358 WeakPolarHBondContact O-CB 3.22Å; M354-T358 PolarHBondContact O-N 3.5Å; M354-T358 PolarHBondContact O-OG1 2.99Å
355Y97.6Very high96.6Very high79 Ų7969.3 Ų69.331%0.3136%0.359SS..Hα-helixtrans-62.8-47.5176.3-68.4-34.5000112.6D337 L339 T351 E352 V353 T358 R359D337-Y355 HydrophobicContact CB-CD1 3.73Å; D337-Y355 HydrophobicContact CB-CE1 3.77Å; L339-Y355 HydrophobicContact CD1-CE1 3.8Å; L339-Y355 WeakPolarHBondContact CD1-OH 3.46Å; L339-Y355 HydrophobicContact CD2-CE1 4.45Å; L339-Y355 HydrophobicContact CG-CE1 3.86Å; T351-Y355 HydrophobicContact CG2-CD2 4.06Å; T351-Y355 HydrophobicContact CG2-CE1 4.34Å; T351-Y355 HydrophobicContact CG2-CE2 3.5Å; T351-Y355 VanDerWaalsContact CG2-CE2 3.5Å; T351-Y355 WeakPolarHBondContact O-CD2 3.26Å; T351-Y355 PolarHBondContact O-N 3.09Å; E352-Y355 PolarHBondContact O-N 2.95Å; V353-Y355 PolarHBondContact O-N 2.83Å; Y355-T358 PolarHBondContact O-N 3.14Å; Y355-R359 VanDerWaalsContact O-CG 3.29Å; Y355-R359 WeakPolarHBondContact O-CG 3.24Å; Y355-R359 PolarHBondContact O-N 3.38Å
356A96.8Very high96.5Very high61 Ų6170.2 Ų70.250%0.50437%0.365SS..Hα-helixtrans-61.5-48.1-179.200000111.3E352 V353 R359 H360E352-A356 WeakPolarHBondContact O-CB 3.43Å; E352-A356 PolarHBondContact O-N 3.4Å; V353-A356 PolarHBondContact O-N 3.48Å; A356-R359 PolarHBondContact O-N 3.22Å; A356-H360 VanDerWaalsContact O-CB 3.27Å; A356-H360 WeakPolarHBondContact O-CB 3.27Å; A356-H360 PolarHBondContact O-N 3.41Å
357S98.1Very high96.6Very high25 Ų2561.7 Ų61.718%0.17533%0.325CS..Hα-helixtrans-63.7-44.2177.5-67.90000111.9S345 V353 R359 H360 E361S345-S357 VanDerWaalsContact OG-CB 3.3Å; S345-S357 WeakPolarHBondContact OG-CB 3.23Å; V353-S357 VanDerWaalsContact O-CB 3.29Å; V353-S357 WeakPolarHBondContact O-CB 3.27Å; V353-S357 PolarHBondContact O-N 2.87Å; V353-S357 PolarHBondContact O-OG 3.02Å; S357-R359 VanDerWaalsContact C-N 3.33Å; S357-R359 PolarHBondContact O-N 3.08Å; S357-H360 PolarHBondContact O-N 3.43Å; S357-E361 WeakPolarHBondContact O-CB 3.35Å; S357-E361 WeakPolarHBondContact O-CG 3.25Å; S357-E361 PolarHBondContact O-N 3.11Å
358T98.4Very high96.8Very high0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-56.7-47.6177.4-63.80000111.5M92 H343 S345 M354 Y355 E361 G362M92-T358 HydrophobicContact CE-CG2 4.22Å; M92-T358 HydrophobicContact SD-CG2 4.42Å; H343-T358 WeakPolarHBondContact O-CG2 3.38Å; S345-T358 WeakPolarHBondContact CB-OG1 3.29Å; S345-T358 PolarHBondContact N-OG1 3.14Å; M354-T358 WeakPolarHBondContact O-CB 3.22Å; M354-T358 PolarHBondContact O-N 3.5Å; M354-T358 PolarHBondContact O-OG1 2.99Å; Y355-T358 PolarHBondContact O-N 3.14Å; T358-E361 PolarHBondContact O-N 2.88Å; T358-G362 PolarHBondContact O-N 3.39Å
359R98.1Very high97.1Very high48 Ų4852.4 Ų52.418%0.18129%0.289CS..Hα-helixtrans-70.4-35.4179.7-65.9171.266.378.4-3.6112.2M92 M333 F336 Y355 A356 S357 F363M92-R359 HydrophobicContact CE-CG 4.4Å; M333-R359 PolarHBondContact O-NH1 2.95Å; F336-R359 WeakPolarHBondContact O-CG 3.45Å; F336-R359 PolarHBondContact O-NH1 2.78Å; Y355-R359 VanDerWaalsContact O-CG 3.29Å; Y355-R359 WeakPolarHBondContact O-CG 3.24Å; Y355-R359 PolarHBondContact O-N 3.38Å; A356-R359 PolarHBondContact O-N 3.22Å; S357-R359 VanDerWaalsContact C-N 3.33Å; S357-R359 PolarHBondContact O-N 3.08Å; R359-F363 HydrophobicContact CB-CD2 4.04Å; R359-F363 HydrophobicContact CB-CE2 4.15Å; R359-F363 HydrophobicContact CG-CD2 4.49Å; R359-F363 HydrophobicContact CG-CE2 4.1Å; R359-F363 WeakPolarHBondContact O-CB 3.04Å; R359-F363 WeakPolarHBondContact O-CD2 3.37Å; R359-F363 PolarHBondContact O-N 2.82Å
360H97.8Very high97.2Very high119 Ų11949.3 Ų49.355%0.55126%0.264SS*.Hα-helixtrans-68.5-38.2175.7-175.479.7000112.5A356 S357 R368A356-H360 VanDerWaalsContact O-CB 3.27Å; A356-H360 WeakPolarHBondContact O-CB 3.27Å; A356-H360 PolarHBondContact O-N 3.41Å; S357-H360 PolarHBondContact O-N 3.43Å; H360-R368 PolarHBondContact O-NH1 2.53Å
361E98Very high97.3Very high78 Ų7848 Ų4836%0.36425%0.253SS..Hα-helixtrans-76.9-35.4178.6-68.4160.4-155.300112H343 S345 S357 T358H343-E361 IonicContact CD2-OE2 3.74Å; H343-E361 IonicContact CE1-OE2 2.65Å; H343-E361 WeakPolarHBondContact NE2-CB 3.38Å; H343-E361 IonicContact NE2-OE2 2.69Å; H343-E361 PolarHBondContact NE2-OE2 3.09Å; S345-E361 WeakPolarHBondContact CA-OE2 3.19Å; S345-E361 WeakPolarHBondContact CB-OE1 3.43Å; S345-E361 VanDerWaalsContact CB-OE2 3.32Å; S345-E361 WeakPolarHBondContact CB-OE2 3.34Å; S345-E361 PolarHBondContact OG-OE1 3.09Å; S345-E361 PolarHBondContact OG-OE2 2.88Å; S357-E361 WeakPolarHBondContact O-CB 3.35Å; S357-E361 WeakPolarHBondContact O-CG 3.25Å; S357-E361 PolarHBondContact O-N 3.11Å; T358-E361 PolarHBondContact O-N 2.88Å
362G98.1Very high97.5Very high1 Ų150.4 Ų50.41%0.0126%0.263CS..Hα-helixtrans-85.2-30.8-171.900000115.9S90 M92 T358S90-G362 PolarHBondContact OG-O 3.05Å; M92-G362 PolarHBondContact N-O 3.49Å; T358-G362 PolarHBondContact O-N 3.39Å
363F98.4Very high97.5Very high6 Ų645.9 Ų45.93%0.02625%0.246CC..SBendtrans-105.2144-177-64.9-47.9000112.8M92 F124 F336 R359 V367 R368 I371M92-F363 HydrophobicContact CB-CD1 4Å; M92-F363 HydrophobicContact CB-CE1 3.84Å; M92-F363 HydrophobicContact CE-CD1 4.29Å; M92-F363 HydrophobicContact CE-CD2 4.02Å; M92-F363 HydrophobicContact CE-CE1 4.03Å; M92-F363 HydrophobicContact CE-CE2 3.75Å; M92-F363 HydrophobicContact CE-CG 4.3Å; M92-F363 HydrophobicContact CE-CZ 3.78Å; M92-F363 HydrophobicContact CG-CD1 4.33Å; M92-F363 HydrophobicContact CG-CE1 3.72Å; M92-F363 HydrophobicContact CG-CZ 4.09Å; F124-F363 HydrophobicContact CD2-CD1 4.12Å; F124-F363 AromaticContact CD2-CE1 3.96Å; F124-F363 HydrophobicContact CD2-CE1 3.96Å; F124-F363 AromaticContact CE2-CD1 3.7Å; F124-F363 HydrophobicContact CE2-CD1 3.7Å; F124-F363 AromaticContact CE2-CE1 3.34Å; F124-F363 HydrophobicContact CE2-CE1 3.34Å; F124-F363 AromaticContact CZ-CE1 3.87Å; F124-F363 HydrophobicContact CZ-CE1 3.87Å; F336-F363 HydrophobicContact CB-CE1 4.4Å; F336-F363 HydrophobicContact CB-CE2 4.4Å; F336-F363 HydrophobicContact CB-CZ 3.62Å; F336-F363 HydrophobicContact CD2-CE1 4.34Å; F336-F363 AromaticContact CD2-CZ 3.9Å; F336-F363 HydrophobicContact CD2-CZ 3.9Å; F336-F363 HydrophobicContact CG-CZ 4.07Å; R359-F363 HydrophobicContact CB-CD2 4.04Å; R359-F363 HydrophobicContact CB-CE2 4.15Å; R359-F363 HydrophobicContact CG-CD2 4.49Å; R359-F363 HydrophobicContact CG-CE2 4.1Å; R359-F363 WeakPolarHBondContact O-CB 3.04Å; R359-F363 WeakPolarHBondContact O-CD2 3.37Å; R359-F363 PolarHBondContact O-N 2.82Å; F363-V367 HydrophobicContact CB-CB 4.05Å; F363-V367 HydrophobicContact CB-CG1 3.95Å; F363-V367 HydrophobicContact CD1-CB 4.38Å; F363-V367 HydrophobicContact CD1-CG1 3.62Å; F363-V367 HydrophobicContact CD2-CG1 4.27Å; F363-V367 HydrophobicContact CE1-CG1 4.08Å; F363-V367 HydrophobicContact CG-CB 4.35Å; F363-V367 HydrophobicContact CG-CG1 3.71Å; F363-R368 HydrophobicContact CB-CG 4.01Å; F363-R368 PolarHBondContact O-NH1 3.1Å; F363-I371 HydrophobicContact CD2-CD1 4.19Å; F363-I371 HydrophobicContact CE2-CD1 4.13Å
364N96.6Very high97.6Very high37 Ų3743.5 Ų43.520%0.19823%0.231CC..  trans-73177.6168.475.614.2000113.6E123 D132 V366 V367 R368E123-N364 WeakPolarHBondContact OE2-CB 3.23Å; E123-N364 PolarHBondContact OE2-N 2.92Å; E123-N364 VanDerWaalsContact OE2-N 3.1Å; E123-N364 PolarHBondContact OE2-ND2 3.49Å; E123-N364 PolarHBondContact OE2-OD1 2.95Å; D132-N364 PolarHBondContact O-ND2 2.79Å; D132-N364 VanDerWaalsContact O-ND2 3.11Å; N364-V366 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.08Å; N364-V366 WeakPolarHBondContact OD1-CA 3.16Å; N364-V366 WeakPolarHBondContact OD1-CB 3.05Å; N364-V366 PolarHBondContact OD1-N 3.22Å; N364-V367 PolarHBondContact O-N 2.95Å; N364-V367 WeakPolarHBondContact OD1-CG2 3.29Å; N364-V367 PolarHBondContact OD1-N 2.9Å; N364-R368 WeakPolarHBondContact O-CG 3.33Å; N364-R368 PolarHBondContact O-N 3.02Å; N364-R368 VanDerWaalsContact O-N 3.07Å
365D96.2Very high97.6Very high119 Ų11946.9 Ų46.964%0.63625%0.249SC*.Hα-helixtrans-64.6-31.7179.4-73.5-41.5000114.1R368 G369D365-R368 IonicContact OD1-CZ 2.99Å; D365-R368 IonicContact OD1-NE 2.62Å; D365-R368 PolarHBondContact OD1-NE 3.25Å; D365-R368 IonicContact OD1-NH2 3.71Å; D365-R368 PolarHBondContact OD1-NH2 3.42Å; D365-R368 IonicContact OD2-NH2 3.88Å; D365-G369 PolarHBondContact O-N 2.95Å
366V96.3Very high97.7Very high27 Ų2748.3 Ų48.316%0.16426%0.255CS..Hα-helixtrans-63.1-54176.81790000109.5M126 N364 R368 G369 R370 N432M126-V366 HydrophobicContact CB-CG1 3.95Å; N364-V366 VanDerWaalsContact C-N 3.32Å; N364-V366 PolarHBondContact O-N 3.08Å; N364-V366 WeakPolarHBondContact OD1-CA 3.16Å; N364-V366 WeakPolarHBondContact OD1-CB 3.05Å; N364-V366 PolarHBondContact OD1-N 3.22Å; V366-R368 PolarHBondContact O-N 3.02Å; V366-G369 PolarHBondContact O-N 3.14Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 3.31Å; V366-N432 HydrophobicContact CG1-CB 4.28Å; V366-N432 VanDerWaalsContact CG1-OD1 3.31Å; V366-N432 WeakPolarHBondContact CG1-OD1 3.26Å; V366-N432 HydrophobicContact CG2-CB 3.63Å
367V97.6Very high97.7Very high0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-60.6-47-1791770000110.6E123 F124 M126 F363 N364 G369 R370 I371E123-V367 HydrophobicContact CB-CG2 4.38Å; E123-V367 HydrophobicContact CG-CG2 4.11Å; F124-V367 HydrophobicContact CB-CG2 4.43Å; F124-V367 HydrophobicContact CD2-CG2 4.25Å; M126-V367 HydrophobicContact CE-CB 4.48Å; M126-V367 HydrophobicContact CE-CG1 4.05Å; M126-V367 HydrophobicContact CE-CG2 4.18Å; M126-V367 HydrophobicContact SD-CB 4.16Å; M126-V367 HydrophobicContact SD-CG1 4.35Å; M126-V367 HydrophobicContact SD-CG2 3.77Å; F363-V367 HydrophobicContact CB-CB 4.05Å; F363-V367 HydrophobicContact CB-CG1 3.95Å; F363-V367 HydrophobicContact CD1-CB 4.38Å; F363-V367 HydrophobicContact CD1-CG1 3.62Å; F363-V367 HydrophobicContact CD2-CG1 4.27Å; F363-V367 HydrophobicContact CE1-CG1 4.08Å; F363-V367 HydrophobicContact CG-CB 4.35Å; F363-V367 HydrophobicContact CG-CG1 3.71Å; N364-V367 PolarHBondContact O-N 2.95Å; N364-V367 WeakPolarHBondContact OD1-CG2 3.29Å; N364-V367 PolarHBondContact OD1-N 2.9Å; V367-G369 PolarHBondContact O-N 2.77Å; V367-R370 PolarHBondContact O-N 3.29Å; V367-I371 HydrophobicContact CG1-CD1 3.88Å; V367-I371 WeakPolarHBondContact O-CD1 3.49Å; V367-I371 WeakPolarHBondContact O-CG1 3.26Å; V367-I371 PolarHBondContact O-N 3.46Å
368R97.7Very high97.7Very high66 Ų6648 Ų4825%0.24924%0.242CC..Hα-helixtrans-60.8-42.8176.4-72.1-169.6-65.5-116.614.9112.8H360 F363 N364 D365 V366 R370 I371 L372H360-R368 PolarHBondContact O-NH1 2.53Å; F363-R368 HydrophobicContact CB-CG 4.01Å; F363-R368 PolarHBondContact O-NH1 3.1Å; N364-R368 WeakPolarHBondContact O-CG 3.33Å; N364-R368 PolarHBondContact O-N 3.02Å; N364-R368 VanDerWaalsContact O-N 3.07Å; D365-R368 IonicContact OD1-CZ 2.99Å; D365-R368 IonicContact OD1-NE 2.62Å; D365-R368 PolarHBondContact OD1-NE 3.25Å; D365-R368 IonicContact OD1-NH2 3.71Å; D365-R368 PolarHBondContact OD1-NH2 3.42Å; D365-R368 IonicContact OD2-NH2 3.88Å; V366-R368 PolarHBondContact O-N 3.02Å; R368-R370 PolarHBondContact O-N 3.24Å; R368-I371 PolarHBondContact O-N 2.96Å; R368-L372 WeakPolarHBondContact O-CB 3.3Å; R368-L372 PolarHBondContact O-N 2.99Å
369G97.2Very high97.7Very high31 Ų3151.9 Ų51.932%0.3226%0.262SS..Hα-helixtrans-60.1-44.5177.700000111.9D365 V366 V367 L372 S373D365-G369 PolarHBondContact O-N 2.95Å; V366-G369 PolarHBondContact O-N 3.14Å; V367-G369 PolarHBondContact O-N 2.77Å; G369-L372 PolarHBondContact O-N 3.14Å; G369-S373 PolarHBondContact O-N 2.79Å; G369-S373 PolarHBondContact O-OG 3.29Å
370R97.6Very high97.7Very high20 Ų2059.5 Ų59.58%0.07530%0.297CS..Hα-helixtrans-64.8-40.8176.7-58.2-157.1-170.2-179-2.8112.3M126 H326 V329 V366 V367 R368 G374 N432M126-R370 HydrophobicContact SD-CB 4.29Å; M126-R370 HydrophobicContact SD-CG 4.12Å; H326-R370 WeakPolarHBondContact NE2-CD 3.3Å; H326-R370 WeakPolarHBondContact NE2-CG 3.37Å; V329-R370 HydrophobicContact CB-CB 4.47Å; V329-R370 HydrophobicContact CG1-CB 3.85Å; V366-R370 WeakPolarHBondContact O-CG 3.45Å; V366-R370 PolarHBondContact O-N 3.31Å; V367-R370 PolarHBondContact O-N 3.29Å; R368-R370 PolarHBondContact O-N 3.24Å; R370-G374 PolarHBondContact O-N 3.09Å; R370-N432 PolarHBondContact NH2-OD1 3.27Å; R370-N432 VanDerWaalsContact NH2-OD1 3.12Å
371I98.3Very high97.6Very high17 Ų1760.7 Ų60.79%0.08730%0.302CS..Hα-helixtrans-60.3-47.2174.4-67.9158.1000110.8V329 M333 F363 V367 R368 G374 N375V329-I371 HydrophobicContact CG1-CG1 3.94Å; M333-I371 HydrophobicContact CB-CD1 4.02Å; M333-I371 HydrophobicContact CB-CG1 4.14Å; M333-I371 HydrophobicContact CG-CD1 4.44Å; M333-I371 HydrophobicContact CG-CG1 4.42Å; F363-I371 HydrophobicContact CD2-CD1 4.19Å; F363-I371 HydrophobicContact CE2-CD1 4.13Å; V367-I371 HydrophobicContact CG1-CD1 3.88Å; V367-I371 WeakPolarHBondContact O-CD1 3.49Å; V367-I371 WeakPolarHBondContact O-CG1 3.26Å; V367-I371 PolarHBondContact O-N 3.46Å; R368-I371 PolarHBondContact O-N 2.96Å; I371-G374 PolarHBondContact O-N 3.09Å; I371-N375 PolarHBondContact O-N 2.84Å; I371-N375 PolarHBondContact O-ND2 2.95Å
372L97.9Very high97.6Very high128 Ų12857.7 Ų57.767%0.6729%0.289SS*.Hα-helixtrans-60.7-51.6-179179.964.8000111.5R368 G369 G374 N375 Y376R368-L372 WeakPolarHBondContact O-CB 3.3Å; R368-L372 PolarHBondContact O-N 2.99Å; G369-L372 PolarHBondContact O-N 3.14Å; L372-G374 VanDerWaalsContact C-N 3.33Å; L372-G374 PolarHBondContact O-N 3.14Å; L372-N375 PolarHBondContact O-N 3.27Å; L372-Y376 PolarHBondContact O-N 3.34Å; L372-Y376 VanDerWaalsContact O-N 3.09Å
373S97.5Very high97.6Very high38 Ų3861.9 Ų61.927%0.26631%0.305SS..Hα-helixtrans-63.7-37.9177.5-58.80000112.5H326 G369 Y376 F377H326-S373 VanDerWaalsContact ND1-CB 3.28Å; H326-S373 WeakPolarHBondContact ND1-CB 3.4Å; G369-S373 PolarHBondContact O-N 2.79Å; G369-S373 PolarHBondContact O-OG 3.29Å; S373-Y376 WeakPolarHBondContact O-CB 3.3Å; S373-Y376 PolarHBondContact O-N 2.69Å; S373-F377 WeakPolarHBondContact O-CD2 3.41Å; S373-F377 VanDerWaalsContact O-CG 3.27Å; S373-F377 WeakPolarHBondContact O-CG 3.4Å; S373-F377 PolarHBondContact O-N 2.85Å
374G98.1Very high97.5Very high0 Ų067.3 Ų67.30%033%0.331CS..Hα-helixtrans-61.1-47.3177.300000112.4H326 R370 I371 L372 Y376 F377 L378H326-G374 VanDerWaalsContact C-CA 3.42Å; H326-G374 WeakPolarHBondContact O-CA 3.2Å; R370-G374 PolarHBondContact O-N 3.09Å; I371-G374 PolarHBondContact O-N 3.09Å; L372-G374 VanDerWaalsContact C-N 3.33Å; L372-G374 PolarHBondContact O-N 3.14Å; G374-Y376 VanDerWaalsContact C-N 3.28Å; G374-Y376 PolarHBondContact O-N 3.05Å; G374-F377 PolarHBondContact O-N 3.17Å; G374-L378 WeakPolarHBondContact O-CB 3.45Å; G374-L378 WeakPolarHBondContact O-CG 3.46Å; G374-L378 PolarHBondContact O-N 3.13Å
375N98.1Very high97.6Very high84 Ų8472.2 Ų72.245%0.44935%0.352SS..Hα-helixtrans-58.6-41.4173.4-77.3-34.2000111.5I371 L372 L378 L379I371-N375 PolarHBondContact O-N 2.84Å; I371-N375 PolarHBondContact O-ND2 2.95Å; L372-N375 PolarHBondContact O-N 3.27Å; N375-L378 PolarHBondContact O-N 2.9Å; N375-L379 WeakPolarHBondContact O-CG 3.18Å; N375-L379 PolarHBondContact O-N 3.32Å; N375-L379 VanDerWaalsContact O-N 3.12Å
376Y98.3Very high97.7Very high109 Ų10970.7 Ų70.743%0.42734%0.338SS..Hα-helixtrans-59.9-46.3175174.8-92.3000112.4L372 S373 G374 L378 L379 N382 Y386L372-Y376 PolarHBondContact O-N 3.34Å; L372-Y376 VanDerWaalsContact O-N 3.09Å; S373-Y376 WeakPolarHBondContact O-CB 3.3Å; S373-Y376 PolarHBondContact O-N 2.69Å; G374-Y376 VanDerWaalsContact C-N 3.28Å; G374-Y376 PolarHBondContact O-N 3.05Å; Y376-L378 PolarHBondContact O-N 3.18Å; Y376-L379 HydrophobicContact CD2-CD1 4.35Å; Y376-L379 PolarHBondContact O-N 3.5Å; Y376-N382 WeakPolarHBondContact CE1-ND2 3.38Å; Y376-N382 VanDerWaalsContact CE2-ND2 3.27Å; Y376-N382 WeakPolarHBondContact CE2-ND2 3.37Å; Y376-N382 VanDerWaalsContact CZ-ND2 3.26Å; Y376-N382 VanDerWaalsContact O-CB 3.3Å; Y376-N382 WeakPolarHBondContact O-CB 3.47Å; Y376-N382 PolarHBondContact O-ND2 3.3Å; Y376-Y386 AromaticContact CE1-CE2 3.92Å; Y376-Y386 HydrophobicContact CE1-CE2 3.92Å
377F98.3Very high97.7Very high18 Ų1871 Ų718%0.07934%0.337CS..Hα-helixtrans-65.1-29178.2-59.1-38.2000112.8V323 H326 S373 G374 Y383 Y386V323-F377 HydrophobicContact CB-CD2 4.42Å; V323-F377 HydrophobicContact CB-CE2 4.42Å; V323-F377 HydrophobicContact CG1-CD2 4.12Å; V323-F377 HydrophobicContact CG1-CG 4.22Å; V323-F377 HydrophobicContact CG2-CE2 4.24Å; V323-F377 HydrophobicContact CG2-CZ 4.24Å; H326-F377 HydrophobicContact CB-CD2 4.08Å; H326-F377 HydrophobicContact CB-CE2 3.91Å; S373-F377 WeakPolarHBondContact O-CD2 3.41Å; S373-F377 VanDerWaalsContact O-CG 3.27Å; S373-F377 WeakPolarHBondContact O-CG 3.4Å; S373-F377 PolarHBondContact O-N 2.85Å; G374-F377 PolarHBondContact O-N 3.17Å; F377-Y383 WeakPolarHBondContact O-CA 3.29Å; F377-Y383 PolarHBondContact O-N 2.72Å; F377-Y386 AromaticContact CD1-CD1 3.62Å; F377-Y386 HydrophobicContact CD1-CD1 3.62Å; F377-Y386 HydrophobicContact CD1-CD2 4.2Å; F377-Y386 HydrophobicContact CD1-CE1 4.23Å; F377-Y386 AromaticContact CD1-CG 3.61Å; F377-Y386 HydrophobicContact CD1-CG 3.61Å; F377-Y386 AromaticContact CE1-CD1 3.71Å; F377-Y386 HydrophobicContact CE1-CD1 3.71Å; F377-Y386 HydrophobicContact CE1-CE1 4.02Å; F377-Y386 HydrophobicContact CE1-CG 4.19Å; F377-Y386 HydrophobicContact CG-CG 4.44Å
378L97.7Very high97.8Very high62 Ų6272.4 Ų72.433%0.32535%0.346SS..Hα-helixtrans-89.2-6.2-178.1-69.1175.3000114.4A327 A330 G374 N375 Y376 K380 Y383 F387A327-L378 HydrophobicContact CB-CD1 4.2Å; A327-L378 HydrophobicContact CB-CD2 4.04Å; A327-L378 HydrophobicContact CB-CG 4.03Å; A327-L378 WeakPolarHBondContact O-CD1 3.22Å; A330-L378 HydrophobicContact CB-CD1 4.47Å; G374-L378 WeakPolarHBondContact O-CB 3.45Å; G374-L378 WeakPolarHBondContact O-CG 3.46Å; G374-L378 PolarHBondContact O-N 3.13Å; N375-L378 PolarHBondContact O-N 2.9Å; Y376-L378 PolarHBondContact O-N 3.18Å; L378-K380 PolarHBondContact O-N 3.12Å; L378-Y383 HydrophobicContact CD2-CD2 3.94Å; L378-Y383 HydrophobicContact CD2-CE2 3.91Å; L378-F387 HydrophobicContact CD2-CD2 4.32Å; L378-F387 HydrophobicContact CD2-CG 4.35Å
379L97.9Very high97.8Very high82 Ų8275.2 Ų75.243%0.42936%0.36SS..SBendtrans-55.3141171.5-69.1176.3000110.4N375 Y376 Q381 N382 Y383N375-L379 WeakPolarHBondContact O-CG 3.18Å; N375-L379 PolarHBondContact O-N 3.32Å; N375-L379 VanDerWaalsContact O-N 3.12Å; Y376-L379 HydrophobicContact CD2-CD1 4.35Å; Y376-L379 PolarHBondContact O-N 3.5Å; L379-Q381 HydrophobicContact CB-CG 4.34Å; L379-Q381 PolarHBondContact O-N 3.44Å; L379-N382 HydrophobicContact CB-CB 4.27Å; L379-N382 CarbonylContact O-C 3.59Å; L379-N382 WeakPolarHBondContact O-CA 3.41Å; L379-N382 PolarHBondContact O-N 3.01Å; L379-Y383 PolarHBondContact O-N 2.81Å
380K97.3Very high97.9Very high208 Ų20874.1 Ų74.190%0.90435%0.347SS*.THydrogen-bonded Turntrans-48.5-41.9-178.1-177178.9178.5-179.20113.2L378 N382L378-K380 PolarHBondContact O-N 3.12Å; K380-N382 VanDerWaalsContact C-N 3.35Å
381Q96.9Very high97.9Very high143 Ų14377 Ų7767%0.66836%0.362SS*.THydrogen-bonded Turntrans-71.3-26179.367.9-171.815.600113.8L379 H385L379-Q381 HydrophobicContact CB-CG 4.34Å; L379-Q381 PolarHBondContact O-N 3.44Å; Q381-H385 PolarHBondContact O-CD2 2.98Å; Q381-H385 VanDerWaalsContact O-CD2 3.29Å
382N97.8Very high97.9Very high15 Ų1582.4 Ų82.48%0.0838%0.384CS..THydrogen-bonded Turntrans-99.8-24.2-174.9-72.1-14.3000113.1Y376 L379 K380 Q384 H385 Y386Y376-N382 WeakPolarHBondContact CE1-ND2 3.38Å; Y376-N382 VanDerWaalsContact CE2-ND2 3.27Å; Y376-N382 WeakPolarHBondContact CE2-ND2 3.37Å; Y376-N382 VanDerWaalsContact CZ-ND2 3.26Å; Y376-N382 VanDerWaalsContact O-CB 3.3Å; Y376-N382 WeakPolarHBondContact O-CB 3.47Å; Y376-N382 PolarHBondContact O-ND2 3.3Å; L379-N382 HydrophobicContact CB-CB 4.27Å; L379-N382 CarbonylContact O-C 3.59Å; L379-N382 WeakPolarHBondContact O-CA 3.41Å; L379-N382 PolarHBondContact O-N 3.01Å; K380-N382 VanDerWaalsContact C-N 3.35Å; N382-Q384 VanDerWaalsContact C-N 3.31Å; N382-Q384 PolarHBondContact O-N 2.98Å; N382-Q384 VanDerWaalsContact O-N 3.16Å; N382-H385 PolarHBondContact O-N 3.14Å; N382-Y386 HydrophobicContact CB-CD2 3.86Å; N382-Y386 HydrophobicContact CB-CE2 4.24Å; N382-Y386 WeakPolarHBondContact O-CD2 3.49Å; N382-Y386 PolarHBondContact O-N 2.79Å
383Y97.5Very high98Very high89 Ų8977.6 Ų77.635%0.34936%0.36SS..THydrogen-bonded Turntrans-51.3-45.3-170.1-175.5-97.6000113.8F377 L378 L379 F387 V388F377-Y383 WeakPolarHBondContact O-CA 3.29Å; F377-Y383 PolarHBondContact O-N 2.72Å; L378-Y383 HydrophobicContact CD2-CD2 3.94Å; L378-Y383 HydrophobicContact CD2-CE2 3.91Å; L379-Y383 PolarHBondContact O-N 2.81Å; Y383-F387 HydrophobicContact CD2-CB 4.06Å; Y383-F387 HydrophobicContact CD2-CD1 4.25Å; Y383-F387 HydrophobicContact CD2-CG 4.4Å; Y383-F387 HydrophobicContact CE1-CD1 4.38Å; Y383-F387 HydrophobicContact CE2-CB 4.06Å; Y383-F387 AromaticContact CE2-CD1 3.41Å; Y383-F387 HydrophobicContact CE2-CD1 3.41Å; Y383-F387 VanDerWaalsContact CE2-CD1 3.41Å; Y383-F387 HydrophobicContact CE2-CE1 4.1Å; Y383-F387 AromaticContact CE2-CG 3.91Å; Y383-F387 HydrophobicContact CE2-CG 3.91Å; Y383-F387 AromaticContact CZ-CD1 3.49Å; Y383-F387 VanDerWaalsContact CZ-CD1 3.49Å; Y383-F387 PolarHBondContact O-N 3.25Å; Y383-F387 VanDerWaalsContact O-N 3.11Å; Y383-F387 WeakPolarHBondContact OH-CD1 2.99Å; Y383-F387 WeakPolarHBondContact OH-CE1 3.45Å; Y383-V388 HydrophobicContact CD1-CG2 3.73Å; Y383-V388 HydrophobicContact CE1-CG2 3.42Å; Y383-V388 VanDerWaalsContact CE1-CG2 3.42Å; Y383-V388 PolarHBondContact O-N 3.05Å
384Q97.9Very high98Very high121 Ų12177.6 Ų77.657%0.56535%0.354SS*.THydrogen-bonded Turntrans-70.1-35.7178.9-68-62.6-27.800112.7N382N382-Q384 VanDerWaalsContact C-N 3.31Å; N382-Q384 PolarHBondContact O-N 2.98Å; N382-Q384 VanDerWaalsContact O-N 3.16Å
385H97.1Very high98Very high139 Ų13984.9 Ų84.964%0.64438%0.382SS*.THydrogen-bonded Turntrans-75.9-33.9-176.8-63.6-57000112.8Q381 N382 K389Q381-H385 PolarHBondContact O-CD2 2.98Å; Q381-H385 VanDerWaalsContact O-CD2 3.29Å; N382-H385 PolarHBondContact O-N 3.14Å; H385-K389 WeakPolarHBondContact O-CB 2.99Å
386Y98.1Very high98.1Very high87 Ų8784.2 Ų84.234%0.34138%0.378SS..THydrogen-bonded Turntrans-107.3-71.5-176.8-66.3-85.8000112.1Y376 F377 N382 V388 K389 A390Y376-Y386 AromaticContact CE1-CE2 3.92Å; Y376-Y386 HydrophobicContact CE1-CE2 3.92Å; F377-Y386 AromaticContact CD1-CD1 3.62Å; F377-Y386 HydrophobicContact CD1-CD1 3.62Å; F377-Y386 HydrophobicContact CD1-CD2 4.2Å; F377-Y386 HydrophobicContact CD1-CE1 4.23Å; F377-Y386 AromaticContact CD1-CG 3.61Å; F377-Y386 HydrophobicContact CD1-CG 3.61Å; F377-Y386 AromaticContact CE1-CD1 3.71Å; F377-Y386 HydrophobicContact CE1-CD1 3.71Å; F377-Y386 HydrophobicContact CE1-CE1 4.02Å; F377-Y386 HydrophobicContact CE1-CG 4.19Å; F377-Y386 HydrophobicContact CG-CG 4.44Å; N382-Y386 HydrophobicContact CB-CD2 3.86Å; N382-Y386 HydrophobicContact CB-CE2 4.24Å; N382-Y386 WeakPolarHBondContact O-CD2 3.49Å; N382-Y386 PolarHBondContact O-N 2.79Å; Y386-V388 PolarHBondContact O-N 2.74Å; Y386-K389 PolarHBondContact O-N 3.26Å; Y386-A390 WeakPolarHBondContact O-CB 3.23Å; Y386-A390 PolarHBondContact O-N 3.31Å
387F98Very high98.1Very high35 Ų3579 Ų7915%0.15436%0.358CS..Hα-helixtrans-62.8-50.4-170.1-175.8-98.7000112.5L324 A327 L378 Y383 K389 A390 Q391L324-F387 HydrophobicContact CD2-CD2 4.02Å; L324-F387 HydrophobicContact CD2-CE2 3.89Å; A327-F387 HydrophobicContact CB-CD2 3.56Å; A327-F387 HydrophobicContact CB-CE2 3.84Å; L378-F387 HydrophobicContact CD2-CD2 4.32Å; L378-F387 HydrophobicContact CD2-CG 4.35Å; Y383-F387 HydrophobicContact CD2-CB 4.06Å; Y383-F387 HydrophobicContact CD2-CD1 4.25Å; Y383-F387 HydrophobicContact CD2-CG 4.4Å; Y383-F387 HydrophobicContact CE1-CD1 4.38Å; Y383-F387 HydrophobicContact CE2-CB 4.06Å; Y383-F387 AromaticContact CE2-CD1 3.41Å; Y383-F387 HydrophobicContact CE2-CD1 3.41Å; Y383-F387 VanDerWaalsContact CE2-CD1 3.41Å; Y383-F387 HydrophobicContact CE2-CE1 4.1Å; Y383-F387 AromaticContact CE2-CG 3.91Å; Y383-F387 HydrophobicContact CE2-CG 3.91Å; Y383-F387 AromaticContact CZ-CD1 3.49Å; Y383-F387 VanDerWaalsContact CZ-CD1 3.49Å; Y383-F387 PolarHBondContact O-N 3.25Å; Y383-F387 VanDerWaalsContact O-N 3.11Å; Y383-F387 WeakPolarHBondContact OH-CD1 2.99Å; Y383-F387 WeakPolarHBondContact OH-CE1 3.45Å; F387-K389 VanDerWaalsContact C-N 3.32Å; F387-K389 PolarHBondContact O-N 3.36Å; F387-A390 PolarHBondContact O-N 3.05Å; F387-Q391 HydrophobicContact CD1-CG 4.4Å; F387-Q391 HydrophobicContact CE1-CG 4.06Å; F387-Q391 HydrophobicContact CZ-CG 4.25Å; F387-Q391 WeakPolarHBondContact O-CG 3.44Å; F387-Q391 PolarHBondContact O-N 3.35Å
388V98.4Very high98.1Very high29 Ų2978.8 Ų78.818%0.17636%0.359CS..Hα-helixtrans-65.3-37.3178.6176.50000111.4Y383 Y386 Q391 K392Y383-V388 HydrophobicContact CD1-CG2 3.73Å; Y383-V388 HydrophobicContact CE1-CG2 3.42Å; Y383-V388 VanDerWaalsContact CE1-CG2 3.42Å; Y383-V388 PolarHBondContact O-N 3.05Å; Y386-V388 PolarHBondContact O-N 2.74Å; V388-Q391 PolarHBondContact O-N 3.47Å; V388-K392 WeakPolarHBondContact O-CG 3.29Å; V388-K392 PolarHBondContact O-N 3.22Å; V388-K392 VanDerWaalsContact O-N 3.12Å
389K98.4Very high98.2Very high125 Ų12577.5 Ų77.554%0.54335%0.353SS..Hα-helixtrans-65.6-43.4176.7-174.362.2177.1-179.40111.5H385 Y386 F387 K392 V393H385-K389 WeakPolarHBondContact O-CB 2.99Å; Y386-K389 PolarHBondContact O-N 3.26Å; F387-K389 VanDerWaalsContact C-N 3.32Å; F387-K389 PolarHBondContact O-N 3.36Å; K389-K392 WeakPolarHBondContact O-CB 3.15Å; K389-K392 PolarHBondContact O-N 3.4Å; K389-V393 WeakPolarHBondContact O-CG2 3.26Å; K389-V393 PolarHBondContact O-N 3.34Å
390A98.4Very high98.2Very high7 Ų774.2 Ų74.26%0.05834%0.335CS..Hα-helixtrans-63-41.5176.100000111.6C320 V323 L324 Y386 F387 K392 V393 R394C320-A390 PolarHBondContact SG-O 2.76Å; V323-A390 HydrophobicContact CB-CB 3.85Å; V323-A390 HydrophobicContact CG1-CB 3.73Å; L324-A390 HydrophobicContact CD2-CB 3.75Å; L324-A390 HydrophobicContact CG-CB 3.86Å; Y386-A390 WeakPolarHBondContact O-CB 3.23Å; Y386-A390 PolarHBondContact O-N 3.31Å; F387-A390 PolarHBondContact O-N 3.05Å; A390-K392 VanDerWaalsContact C-N 3.28Å; A390-K392 PolarHBondContact O-N 3.25Å; A390-V393 PolarHBondContact O-N 3.44Å; A390-V393 VanDerWaalsContact O-N 3.14Å; A390-R394 WeakPolarHBondContact O-CB 3.42Å; A390-R394 PolarHBondContact O-N 2.96Å
391Q98.4Very high98.3Very high81 Ų8164.5 Ų64.538%0.37929%0.293SS..Hα-helixtrans-58.8-38.1173.2-73.3-77.383.300112.6L324 F387 V388 R394 R395L324-Q391 HydrophobicContact CD2-CG 3.85Å; F387-Q391 HydrophobicContact CD1-CG 4.4Å; F387-Q391 HydrophobicContact CE1-CG 4.06Å; F387-Q391 HydrophobicContact CZ-CG 4.25Å; F387-Q391 WeakPolarHBondContact O-CG 3.44Å; F387-Q391 PolarHBondContact O-N 3.35Å; V388-Q391 PolarHBondContact O-N 3.47Å; Q391-R394 PolarHBondContact O-N 3.13Å; Q391-R395 PolarHBondContact O-N 2.96Å; Q391-R395 VanDerWaalsContact O-N 3.07Å
392K98.6Very high98.4Very high130 Ų13064 Ų6457%0.56529%0.285SS*.Hα-helixtrans-67.4-41.4174.5-69.3172.7-179.7178.70112V388 K389 A390 R395 L396V388-K392 WeakPolarHBondContact O-CG 3.29Å; V388-K392 PolarHBondContact O-N 3.22Å; V388-K392 VanDerWaalsContact O-N 3.12Å; K389-K392 WeakPolarHBondContact O-CB 3.15Å; K389-K392 PolarHBondContact O-N 3.4Å; A390-K392 VanDerWaalsContact C-N 3.28Å; A390-K392 PolarHBondContact O-N 3.25Å; K392-R395 WeakPolarHBondContact O-CB 3.44Å; K392-R395 PolarHBondContact O-N 3.33Å; K392-L396 PolarHBondContact O-N 3.35Å; K392-L396 VanDerWaalsContact O-N 3.14Å
393V98.6Very high98.4Very high27 Ų2769.7 Ų69.716%0.16431%0.311CS..Hα-helixtrans-64.9-41.6175.2174.70000111C320 K389 A390 R395 L396 I397C320-V393 HydrophobicContact CB-CB 4.45Å; C320-V393 HydrophobicContact CB-CG1 3.97Å; K389-V393 WeakPolarHBondContact O-CG2 3.26Å; K389-V393 PolarHBondContact O-N 3.34Å; A390-V393 PolarHBondContact O-N 3.44Å; A390-V393 VanDerWaalsContact O-N 3.14Å; V393-R395 PolarHBondContact O-N 3.21Å; V393-L396 WeakPolarHBondContact O-CB 3.49Å; V393-L396 PolarHBondContact O-N 2.73Å; V393-I397 HydrophobicContact CG1-CD1 4.09Å; V393-I397 PolarHBondContact O-N 3.3Å
394R98.7Very high98.5Very high38 Ų3865.9 Ų65.914%0.14330%0.297CS..Hα-helixtrans-55.9-40.7172.6-175.6-174.9178.1167.95.6111.7S221 L324 A390 Q391 I397 A398 M448S221-R394 PolarHBondContact O-NH2 3.49Å; S221-R394 PolarHBondContact OG-NH1 3.38Å; L324-R394 HydrophobicContact CD1-CB 4.07Å; L324-R394 HydrophobicContact CD1-CG 4.37Å; A390-R394 WeakPolarHBondContact O-CB 3.42Å; A390-R394 PolarHBondContact O-N 2.96Å; Q391-R394 PolarHBondContact O-N 3.13Å; R394-I397 PolarHBondContact O-N 2.99Å; R394-A398 WeakPolarHBondContact O-CB 3.39Å; R394-A398 PolarHBondContact O-N 3.38Å; R394-M448 HydrophobicContact CG-CB 4.05Å; R394-M448 HydrophobicContact CG-CG 4.45Å; R394-M448 PolarHBondContact NE-O 2.99Å; R394-M448 PolarHBondContact NH2-O 3.05Å
395R98.8Very high98.5Very high154 Ų15461.5 Ų61.558%0.58128%0.276SS*.Hα-helixtrans-60.6-46.9174.1174.968.284.2-1222.3111.1Q391 K392 V393 I397 A398 D399Q391-R395 PolarHBondContact O-N 2.96Å; Q391-R395 VanDerWaalsContact O-N 3.07Å; K392-R395 WeakPolarHBondContact O-CB 3.44Å; K392-R395 PolarHBondContact O-N 3.33Å; V393-R395 PolarHBondContact O-N 3.21Å; R395-I397 PolarHBondContact O-N 2.92Å; R395-A398 CarbonylContact O-C 3.27Å; R395-A398 PolarHBondContact O-N 2.92Å; R395-A398 VanDerWaalsContact O-N 3.16Å; R395-D399 WeakPolarHBondContact CD-OD1 3.42Å; R395-D399 WeakPolarHBondContact O-CB 3.36Å; R395-D399 PolarHBondContact O-N 3.14Å
396L98.8Very high98.6Very high69 Ų6958.2 Ų58.236%0.36128%0.28SS..Hα-helixtrans-59.7-44.2177.5-64.6173.3000112.1H313 K392 V393 A398 D399 D400H313-L396 HydrophobicContact CB-CB 4.19Å; K392-L396 PolarHBondContact O-N 3.35Å; K392-L396 VanDerWaalsContact O-N 3.14Å; V393-L396 WeakPolarHBondContact O-CB 3.49Å; V393-L396 PolarHBondContact O-N 2.73Å; L396-A398 VanDerWaalsContact C-N 3.33Å; L396-A398 PolarHBondContact O-N 2.98Å; L396-D399 WeakPolarHBondContact O-CB 3.19Å; L396-D399 PolarHBondContact O-N 3.36Å; L396-D399 VanDerWaalsContact O-N 3.13Å; L396-D400 PolarHBondContact O-N 3.41Å
397I98.8Very high98.5Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-59.1-45.5174.7-67.5167000110.7H313 V393 R394 R395 D399 D400 F401 P445 M448H313-I397 HydrophobicContact CB-CG1 3.87Å; H313-I397 WeakPolarHBondContact O-CG1 3.29Å; V393-I397 HydrophobicContact CG1-CD1 4.09Å; V393-I397 PolarHBondContact O-N 3.3Å; R394-I397 PolarHBondContact O-N 2.99Å; R395-I397 PolarHBondContact O-N 2.92Å; I397-D399 VanDerWaalsContact C-N 3.3Å; I397-D399 PolarHBondContact O-N 3.1Å; I397-D400 WeakPolarHBondContact O-CB 3.37Å; I397-D400 PolarHBondContact O-N 2.87Å; I397-F401 HydrophobicContact CG2-CD2 4.46Å; I397-F401 HydrophobicContact CG2-CE2 4.1Å; I397-F401 VanDerWaalsContact O-CD2 3.27Å; I397-F401 WeakPolarHBondContact O-CD2 3.36Å; I397-F401 PolarHBondContact O-N 2.81Å; I397-P445 HydrophobicContact CG2-CB 4.26Å; I397-M448 HydrophobicContact CD1-SD 3.48Å; I397-M448 WeakPolarHBondContact CD1-SD 3.46Å; I397-M448 HydrophobicContact CG2-CB 4.3Å
398A98.7Very high98.5Very high13 Ų1357.8 Ų57.811%0.10730%0.3CS..Hα-helixtrans-68.4-29.6177.300000113R394 R395 L396 R402 A449R394-A398 WeakPolarHBondContact O-CB 3.39Å; R394-A398 PolarHBondContact O-N 3.38Å; R395-A398 CarbonylContact O-C 3.27Å; R395-A398 PolarHBondContact O-N 2.92Å; R395-A398 VanDerWaalsContact O-N 3.16Å; L396-A398 VanDerWaalsContact C-N 3.33Å; L396-A398 PolarHBondContact O-N 2.98Å; A398-R402 PolarHBondContact O-N 3.04Å; A398-R402 PolarHBondContact O-NE 2.93Å; A398-A449 HydrophobicContact CB-CB 4.15Å
399D98.8Very high98.5Very high36 Ų3656.6 Ų56.619%0.19329%0.293CS..Hα-helixtrans-67.9-42.9174.5-66.2-16.9000109.7R395 L396 I397 F401 R402 H403R395-D399 WeakPolarHBondContact CD-OD1 3.42Å; R395-D399 WeakPolarHBondContact O-CB 3.36Å; R395-D399 PolarHBondContact O-N 3.14Å; L396-D399 WeakPolarHBondContact O-CB 3.19Å; L396-D399 PolarHBondContact O-N 3.36Å; L396-D399 VanDerWaalsContact O-N 3.13Å; I397-D399 VanDerWaalsContact C-N 3.3Å; I397-D399 PolarHBondContact O-N 3.1Å; D399-F401 PolarHBondContact O-N 3.25Å; D399-R402 WeakPolarHBondContact O-CB 3.27Å; D399-R402 PolarHBondContact O-N 2.97Å; D399-R402 IonicContact OD1-CZ 2.65Å; D399-R402 IonicContact OD1-NH1 3.5Å; D399-R402 PolarHBondContact OD1-NH1 3.45Å; D399-R402 IonicContact OD1-NH2 3.32Å; D399-R402 PolarHBondContact OD1-NH2 3.03Å; D399-H403 PolarHBondContact O-N 3.36Å; D399-H403 PolarHBondContact O-ND1 3.01Å
400D98.8Very high98.5Very high13 Ų1352.2 Ų52.27%0.0728%0.275CS..Hα-helixtrans-53.6-50.8177.7-70.5-7.5000111.7L311 P312 H313 L396 I397 R402 H403 V404L311-D400 VanDerWaalsContact C-OD2 3.26Å; L311-D400 HydrophobicContact CB-CB 4.31Å; L311-D400 HydrophobicContact CD2-CB 3.68Å; P312-D400 WeakPolarHBondContact CD-OD2 3.4Å; H313-D400 WeakPolarHBondContact CA-OD2 3.1Å; H313-D400 WeakPolarHBondContact CB-OD2 3.33Å; H313-D400 IonicContact CE1-OD1 2.75Å; H313-D400 IonicContact CG-OD1 3.4Å; H313-D400 IonicContact CG-OD2 3.88Å; H313-D400 PolarHBondContact N-OD2 3.15Å; H313-D400 VanDerWaalsContact ND1-CG 3.29Å; H313-D400 IonicContact ND1-OD1 3.51Å; H313-D400 PolarHBondContact ND1-OD1 3.19Å; H313-D400 IonicContact ND1-OD2 3.89Å; H313-D400 PolarHBondContact ND1-OD2 3.08Å; L396-D400 PolarHBondContact O-N 3.41Å; I397-D400 WeakPolarHBondContact O-CB 3.37Å; I397-D400 PolarHBondContact O-N 2.87Å; D400-R402 VanDerWaalsContact C-N 3.33Å; D400-R402 PolarHBondContact O-N 3.21Å; D400-H403 PolarHBondContact O-N 3.08Å; D400-V404 WeakPolarHBondContact O-CG2 3.23Å; D400-V404 PolarHBondContact O-N 3.45Å
401F98.8Very high98.6Very high3 Ų351.9 Ų51.91%0.01327%0.272CS..Hα-helixtrans-60.9-40.9175.9-73.9-77.5000112.6L311 T314 I397 D399 H403 V404 F405 L412 P445 A449 L451 I472L311-F401 HydrophobicContact CD1-CD1 4.42Å; L311-F401 HydrophobicContact CD1-CE1 3.96Å; L311-F401 HydrophobicContact CD1-CZ 4.27Å; L311-F401 HydrophobicContact CD2-CD1 4.17Å; L311-F401 HydrophobicContact CD2-CE1 4.47Å; L311-F401 HydrophobicContact CD2-CG 4.3Å; T314-F401 HydrophobicContact CG2-CE2 4.43Å; I397-F401 HydrophobicContact CG2-CD2 4.46Å; I397-F401 HydrophobicContact CG2-CE2 4.1Å; I397-F401 VanDerWaalsContact O-CD2 3.27Å; I397-F401 WeakPolarHBondContact O-CD2 3.36Å; I397-F401 PolarHBondContact O-N 2.81Å; D399-F401 PolarHBondContact O-N 3.25Å; F401-H403 VanDerWaalsContact C-N 3.32Å; F401-H403 PolarHBondContact O-N 3.25Å; F401-V404 PolarHBondContact O-N 2.84Å; F401-F405 HydrophobicContact CB-CD2 4.31Å; F401-F405 HydrophobicContact CB-CE2 4.09Å; F401-F405 HydrophobicContact CD1-CE2 4.07Å; F401-F405 HydrophobicContact CD1-CZ 4.33Å; F401-F405 WeakPolarHBondContact O-CD2 3.48Å; F401-F405 WeakPolarHBondContact O-CG 3.37Å; F401-F405 PolarHBondContact O-N 3.26Å; F401-L412 HydrophobicContact CD1-CD1 3.63Å; F401-L412 HydrophobicContact CE1-CD1 3.48Å; F401-L412 VanDerWaalsContact CE1-CD1 3.48Å; F401-P445 HydrophobicContact CE2-CB 3.74Å; F401-P445 HydrophobicContact CZ-CB 3.74Å; F401-A449 HydrophobicContact CD2-CB 3.64Å; F401-A449 HydrophobicContact CE2-CB 4.09Å; F401-A449 HydrophobicContact CG-CB 4.36Å; F401-L451 HydrophobicContact CB-CD1 3.65Å; F401-L451 HydrophobicContact CD1-CD1 3.42Å; F401-L451 VanDerWaalsContact CD1-CD1 3.42Å; F401-L451 HydrophobicContact CD2-CD1 3.81Å; F401-L451 HydrophobicContact CE1-CD1 3.96Å; F401-L451 HydrophobicContact CE2-CD1 4.3Å; F401-L451 HydrophobicContact CG-CD1 3.35Å; F401-L451 HydrophobicContact CZ-CD1 4.38Å; F401-I472 HydrophobicContact CE1-CD1 4.1Å; F401-I472 HydrophobicContact CE1-CG2 4.3Å; F401-I472 HydrophobicContact CZ-CD1 4.41Å
402R98.6Very high98.6Very high132 Ų13248 Ų4850%0.49825%0.254SS..Hα-helixtrans-62.5-39.1177.6-86.7-175.9-94.2117.17112A398 D399 D400 G406A398-R402 PolarHBondContact O-N 3.04Å; A398-R402 PolarHBondContact O-NE 2.93Å; D399-R402 WeakPolarHBondContact O-CB 3.27Å; D399-R402 PolarHBondContact O-N 2.97Å; D399-R402 IonicContact OD1-CZ 2.65Å; D399-R402 IonicContact OD1-NH1 3.5Å; D399-R402 PolarHBondContact OD1-NH1 3.45Å; D399-R402 IonicContact OD1-NH2 3.32Å; D399-R402 PolarHBondContact OD1-NH2 3.03Å; D400-R402 VanDerWaalsContact C-N 3.33Å; D400-R402 PolarHBondContact O-N 3.21Å; R402-G406 WeakPolarHBondContact O-CA 3.34Å; R402-G406 PolarHBondContact O-N 3.04Å
403H98.6Very high98.6Very high135 Ų13541.9 Ų41.963%0.62523%0.228SC*.Hα-helixtrans-66.4-44.7175.5-69.794.7000111.4D399 D400 F401 G406 S407D399-H403 PolarHBondContact O-N 3.36Å; D399-H403 PolarHBondContact O-ND1 3.01Å; D400-H403 PolarHBondContact O-N 3.08Å; F401-H403 VanDerWaalsContact C-N 3.32Å; F401-H403 PolarHBondContact O-N 3.25Å; H403-G406 CarbonylContact O-C 3.52Å; H403-G406 PolarHBondContact O-N 2.93Å; H403-S407 PolarHBondContact O-N 2.91Å
404V98.6Very high98.6Very high9 Ų940.6 Ų40.66%0.05522%0.22CC..Hα-helixtrans-65.3-47.6-179.5172.90000112.1V309 L311 D400 F401 G406 S407 V409 L412V309-V404 HydrophobicContact CB-CG1 4.05Å; V309-V404 HydrophobicContact CB-CG2 4.2Å; V309-V404 HydrophobicContact CG1-CG1 3.96Å; V309-V404 HydrophobicContact CG2-CG1 4.14Å; L311-V404 HydrophobicContact CD2-CB 4.33Å; L311-V404 HydrophobicContact CD2-CG2 3.65Å; L311-V404 HydrophobicContact CG-CG2 4.35Å; D400-V404 WeakPolarHBondContact O-CG2 3.23Å; D400-V404 PolarHBondContact O-N 3.45Å; F401-V404 PolarHBondContact O-N 2.84Å; V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 PolarHBondContact O-N 2.94Å; V404-S407 PolarHBondContact O-N 3.27Å; V404-S407 PolarHBondContact O-OG 2.94Å; V404-V409 HydrophobicContact CG1-CB 3.9Å; V404-V409 HydrophobicContact CG1-CG1 4.1Å; V404-V409 HydrophobicContact CG1-CG2 3.87Å; V404-V409 WeakPolarHBondContact O-CB 3.45Å; V404-L412 HydrophobicContact CG1-CD2 3.9Å
405F98.7Very high98.6Very high30 Ų3038.8 Ų38.813%0.13221%0.213CC..Hα-helixtrans-67-34.3175.4-61.9-49.2000111.7F401 S407 G408 V409 L412 L451 I472 P474F401-F405 HydrophobicContact CB-CD2 4.31Å; F401-F405 HydrophobicContact CB-CE2 4.09Å; F401-F405 HydrophobicContact CD1-CE2 4.07Å; F401-F405 HydrophobicContact CD1-CZ 4.33Å; F401-F405 WeakPolarHBondContact O-CD2 3.48Å; F401-F405 WeakPolarHBondContact O-CG 3.37Å; F401-F405 PolarHBondContact O-N 3.26Å; F405-S407 PolarHBondContact O-N 3.27Å; F405-G408 PolarHBondContact O-N 2.69Å; F405-V409 HydrophobicContact CD1-CG1 4.48Å; F405-V409 WeakPolarHBondContact CD1-O 3.35Å; F405-L412 HydrophobicContact CE1-CD1 4.4Å; F405-L412 HydrophobicContact CE1-CG 4.11Å; F405-L412 HydrophobicContact CZ-CD1 4.17Å; F405-L412 HydrophobicContact CZ-CG 4.32Å; F405-L451 HydrophobicContact CE2-CD1 3.79Å; F405-L451 HydrophobicContact CE2-CD2 4.05Å; F405-L451 HydrophobicContact CZ-CD1 4.48Å; F405-I472 HydrophobicContact CZ-CG2 4.46Å; F405-P474 HydrophobicContact CB-CG 4.33Å; F405-P474 HydrophobicContact CD1-CG 3.87Å; F405-P474 HydrophobicContact CD2-CB 4.37Å; F405-P474 HydrophobicContact CD2-CG 4.29Å; F405-P474 HydrophobicContact CE1-CG 4.2Å; F405-P474 HydrophobicContact CG-CB 4.42Å; F405-P474 HydrophobicContact CG-CG 3.93Å
406G98.3Very high98.6Very high70 Ų7031.5 Ų31.572%0.72219%0.185SC*.Hα-helixtrans-65.9-20.1174.500000114.6R402 H403 V404 G408R402-G406 WeakPolarHBondContact O-CA 3.34Å; R402-G406 PolarHBondContact O-N 3.04Å; H403-G406 CarbonylContact O-C 3.52Å; H403-G406 PolarHBondContact O-N 2.93Å; V404-G406 VanDerWaalsContact C-N 3.29Å; V404-G406 PolarHBondContact O-N 2.94Å; G406-G408 VanDerWaalsContact C-N 3.27Å
407S97.8Very high98.6Very high76 Ų7628.2 Ų28.253%0.53117%0.169SC..THydrogen-bonded Turntrans-85.24.4174.868.60000113.7H403 V404 F405H403-S407 PolarHBondContact O-N 2.91Å; V404-S407 PolarHBondContact O-N 3.27Å; V404-S407 PolarHBondContact O-OG 2.94Å; F405-S407 PolarHBondContact O-N 3.27Å
408G97.4Very high98.5Very high37 Ų3729 Ų2938%0.38117%0.172SC..THydrogen-bonded Turntrans93.722.1177.100000114.5C272 R305 F405 G406C272-G408 VanDerWaalsContact CB-O 3.25Å; C272-G408 WeakPolarHBondContact CB-O 3.29Å; R305-G408 PolarHBondContact NH2-O 3.21Å; F405-G408 PolarHBondContact O-N 2.69Å; G406-G408 VanDerWaalsContact C-N 3.27Å
409V98.7Very high98.4Very high4 Ų430.4 Ų30.42%0.02418%0.18CC..  trans-84.4131.8167.2175.80000109.1E307 V309 V404 F405 V411 L412E307-V409 HydrophobicContact CG-CG2 4.44Å; E307-V409 VanDerWaalsContact OE1-CG2 3.32Å; E307-V409 WeakPolarHBondContact OE1-CG2 3.45Å; V309-V409 HydrophobicContact CG1-CG2 3.93Å; V404-V409 HydrophobicContact CG1-CB 3.9Å; V404-V409 HydrophobicContact CG1-CG1 4.1Å; V404-V409 HydrophobicContact CG1-CG2 3.87Å; V404-V409 WeakPolarHBondContact O-CB 3.45Å; F405-V409 HydrophobicContact CD1-CG1 4.48Å; F405-V409 WeakPolarHBondContact CD1-O 3.35Å; V409-V411 VanDerWaalsContact CG1-O 3.23Å; V409-V411 WeakPolarHBondContact CG1-O 3.4Å; V409-L412 HydrophobicContact CG1-CD2 4.11Å
410D98.6Very high98.4Very high32 Ų3229.2 Ų29.217%0.17117%0.173CC..  trans-92.9-36.1-177.7-65.7-62.8000112.5I271 C272 P474 K480I271-D410 WeakPolarHBondContact CA-OD2 3.25Å; I271-D410 HydrophobicContact CG2-CB 4.07Å; C272-D410 PolarHBondContact N-OD2 3.33Å; C272-D410 PolarHBondContact O-N 3.05Å; D410-P474 WeakPolarHBondContact O-CD 3.48Å; D410-K480 WeakPolarHBondContact OD1-CE 3.45Å; D410-K480 IonicContact OD1-NZ 3.55Å; D410-K480 PolarHBondContact OD1-NZ 3.5Å
411V98.8Very high98.3Very high1 Ų128.6 Ų28.61%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-147152.2177.8-64.30000110.3I271 C272 V273 G274 V409 L471 I472 L481 V484I271-V411 HydrophobicContact CG2-CG2 4.12Å; C272-V411 PolarHBondContact O-N 3.42Å; V273-V411 CarbonylContact C-O 3.6Å; V273-V411 WeakPolarHBondContact CA-O 3.46Å; V273-V411 HydrophobicContact CB-CG2 4.42Å; V273-V411 HydrophobicContact CG1-CG2 4.35Å; V273-V411 HydrophobicContact CG2-CG2 3.95Å; G274-V411 PolarHBondContact N-O 3.27Å; V409-V411 VanDerWaalsContact CG1-O 3.23Å; V409-V411 WeakPolarHBondContact CG1-O 3.4Å; V411-L471 HydrophobicContact CG2-CD2 4.35Å; V411-I472 CarbonylContact C-O 3.52Å; V411-I472 WeakPolarHBondContact CA-O 3.39Å; V411-L481 HydrophobicContact CG1-CD1 4.24Å; V411-V484 HydrophobicContact CG1-CB 4.44Å; V411-V484 HydrophobicContact CG1-CG2 4.21Å; V411-V484 HydrophobicContact CG2-CG1 4.15Å
412L98.9Very high98.1Very high0 Ų029.6 Ų29.60%018%0.179CC..EExtended strand (participates in β ladder)trans-101.3135167.1-63.1170.8000109.8G274 P276 V309 L311 F401 V404 F405 V409 T414 L471 I472G274-L412 WeakPolarHBondContact O-CA 3.48Å; P276-L412 HydrophobicContact CG-CD2 4.17Å; V309-L412 HydrophobicContact CG2-CD2 3.71Å; L311-L412 HydrophobicContact CD1-CD1 3.92Å; F401-L412 HydrophobicContact CD1-CD1 3.63Å; F401-L412 HydrophobicContact CE1-CD1 3.48Å; F401-L412 VanDerWaalsContact CE1-CD1 3.48Å; V404-L412 HydrophobicContact CG1-CD2 3.9Å; F405-L412 HydrophobicContact CE1-CD1 4.4Å; F405-L412 HydrophobicContact CE1-CG 4.11Å; F405-L412 HydrophobicContact CZ-CD1 4.17Å; F405-L412 HydrophobicContact CZ-CG 4.32Å; V409-L412 HydrophobicContact CG1-CD2 4.11Å; L412-T414 HydrophobicContact CB-CG2 4.43Å; L412-L471 CarbonylContact O-C 3.53Å; L412-L471 VanDerWaalsContact O-CA 3.25Å; L412-L471 WeakPolarHBondContact O-CA 3.33Å; L412-I472 HydrophobicContact CB-CB 4.19Å; L412-I472 PolarHBondContact N-O 3.07Å; L412-I472 PolarHBondContact O-N 3.19Å
413L98.9Very high98Very high1 Ų124.6 Ų24.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-104.8122.6170.3177.269.6000109V273 G274 I275 W292 V295 A296 F299 L469 L471V273-L413 HydrophobicContact CG1-CB 3.62Å; G274-L413 PolarHBondContact O-N 3.49Å; I275-L413 HydrophobicContact CD1-CB 3.91Å; I275-L413 HydrophobicContact CD1-CD2 4.16Å; I275-L413 HydrophobicContact CD1-CG 4.41Å; W292-L413 WeakPolarHBondContact CZ2-O 3.21Å; W292-L413 PolarHBondContact NE1-O 3.49Å; V295-L413 HydrophobicContact CB-CD2 4.21Å; V295-L413 HydrophobicContact CG1-CD1 4.2Å; V295-L413 HydrophobicContact CG1-CD2 3.88Å; A296-L413 HydrophobicContact CB-CD2 4.23Å; F299-L413 HydrophobicContact CD2-CD2 4.3Å; F299-L413 HydrophobicContact CE2-CD2 4.29Å; L413-L469 HydrophobicContact CD1-CB 4.11Å; L413-L469 HydrophobicContact CD1-CD1 4.09Å; L413-L471 HydrophobicContact CB-CD2 4.28Å; L413-L471 HydrophobicContact CD1-CD2 3.85Å; L413-L471 HydrophobicContact CD1-CG 4.4Å
414T98.8Very high97.8Very high0 Ų021.3 Ų21.30%015%0.147CC..EExtended strand (participates in β ladder)trans-137.6161.9-179.180.90000111P276 Y279 L412 Q470 I472P276-T414 HydrophobicContact CG-CG2 3.96Å; Y279-T414 HydrophobicContact CD2-CG2 3.68Å; Y279-T414 HydrophobicContact CE2-CG2 3.6Å; L412-T414 HydrophobicContact CB-CG2 4.43Å; T414-Q470 PolarHBondContact N-O 3.49Å; T414-Q470 PolarHBondContact O-N 3.45Å; T414-Q470 PolarHBondContact OG1-NE2 2.98Å; T414-I472 HydrophobicContact CG2-CD1 4.37Å
415P98.6Very high97.6Very high0 Ų026.7 Ų26.70%017%0.171CC..EExtended strand (participates in β ladder)trans-59.7150.7160.9-19.834.3000110.5L284 T288 W292 F442L284-P415 HydrophobicContact CD1-CB 4.17Å; L284-P415 HydrophobicContact CD1-CG 3.96Å; T288-P415 HydrophobicContact CG2-CB 3.78Å; T288-P415 HydrophobicContact CG2-CG 4.29Å; W292-P415 HydrophobicContact CD2-CG 3.82Å; W292-P415 HydrophobicContact CE3-CG 3.59Å; W292-P415 HydrophobicContact CG-CG 4.25Å; W292-P415 HydrophobicContact CZ3-CG 4.06Å; P415-F442 HydrophobicContact CB-CD2 3.8Å; P415-F442 HydrophobicContact CB-CE2 3.75Å; P415-F442 HydrophobicContact CB-CG 4.48Å; P415-F442 HydrophobicContact CB-CZ 4.4Å; P415-F442 HydrophobicContact CG-CE2 4.22Å; P415-F442 HydrophobicContact CG-CZ 4.39Å; P415-F442 VanDerWaalsContact O-CB 3.3Å; P415-F442 WeakPolarHBondContact O-CB 3.39Å
416T98.7Very high97.3Very high0 Ų030 Ų300%019%0.19CC..SBendtrans-87.5-39.9168.8-55.70000111.4R192 A196 T443 S455 G468 L469 Q470R192-T416 HydrophobicContact CB-CG2 4.1Å; R192-T416 WeakPolarHBondContact O-CG2 3.46Å; A196-T416 HydrophobicContact CB-CG2 3.59Å; T416-T443 HydrophobicContact CG2-CG2 4.06Å; T416-S455 PolarHBondContact OG1-OG 3.36Å; T416-G468 WeakPolarHBondContact CB-O 3.02Å; T416-G468 PolarHBondContact N-O 2.83Å; T416-G468 PolarHBondContact OG1-O 3.24Å; T416-L469 PolarHBondContact OG1-O 3.44Å; T416-Q470 WeakPolarHBondContact OG1-CB 3.31Å; T416-Q470 PolarHBondContact OG1-N 3.11Å
417T98.3Very high97.1Very high1 Ų127.2 Ų27.21%0.00616%0.158CC..SBendtrans-130.4164.8-179.554.40000110.1N193 A196 L197 T419N193-T417 WeakPolarHBondContact ND2-CG2 3.36Å; A196-T417 HydrophobicContact CB-CG2 4.18Å; L197-T417 HydrophobicContact CD2-CG2 3.92Å; L197-T417 HydrophobicContact CG-CG2 4.14Å; T417-T419 PolarHBondContact OG1-O 3.31Å
418L97.6Very high96.9Very high15 Ų1525.9 Ų25.98%0.07915%0.147CC..SBendtrans-69.5-39.8176.7-71167.9000111.9A281 L284 S285 T288 Q438 V441 F442A281-L418 HydrophobicContact CB-CD2 4.25Å; L284-L418 HydrophobicContact CB-CD2 4.22Å; S285-L418 PolarHBondContact N-O 2.93Å; T288-L418 PolarHBondContact OG1-O 3.39Å; L418-Q438 HydrophobicContact CD1-CB 4.05Å; L418-Q438 VanDerWaalsContact CD1-O 3.29Å; L418-Q438 WeakPolarHBondContact CD1-O 3.42Å; L418-V441 HydrophobicContact CD1-CG1 4.32Å; L418-V441 HydrophobicContact CD2-CG1 3.99Å; L418-V441 HydrophobicContact CG-CG1 4Å; L418-F442 HydrophobicContact CD2-CE2 3.65Å; L418-F442 HydrophobicContact CD2-CZ 3.66Å; L418-F442 HydrophobicContact CG-CE2 4.12Å
419T97.2Very high96.8Very high43 Ų4330.5 Ų30.526%0.26416%0.158SC..SBendtrans-137.6179.8-176.467.70000110.7T417T417-T419 PolarHBondContact OG1-O 3.31Å
420D96.9Very high96.5Very high11 Ų1134.1 Ų34.16%0.05918%0.175CC..SBendtrans-67.1177.7160.565.9-9.6000110.9A422 S461 R463 L465 I467D420-A422 PolarHBondContact O-N 2.78Å; D420-S461 VanDerWaalsContact OD2-CB 3.24Å; D420-S461 WeakPolarHBondContact OD2-CB 3.47Å; D420-S461 PolarHBondContact OD2-OG 3.35Å; D420-R463 IonicContact OD1-CZ 3.34Å; D420-R463 IonicContact OD1-NE 2.64Å; D420-R463 IonicContact OD1-NH2 3.14Å; D420-R463 PolarHBondContact OD1-NH2 3.33Å; D420-R463 IonicContact OD2-CZ 3.63Å; D420-R463 IonicContact OD2-NE 3.32Å; D420-R463 PolarHBondContact OD2-NE 3.27Å; D420-R463 IonicContact OD2-NH2 2.97Å; D420-R463 PolarHBondContact OD2-NH2 3.22Å; D420-L465 HydrophobicContact CB-CB 3.9Å; D420-I467 HydrophobicContact CB-CG1 4.46Å
421A97.3Very high96.3Very high0 Ų036.8 Ų36.80%019%0.189CC..PPolyproline II helixtrans-62.6126-171.700000112.9V161 L197 R463 L465V161-A421 HydrophobicContact CB-CB 3.86Å; V161-A421 HydrophobicContact CG2-CB 3.74Å; L197-A421 HydrophobicContact CB-CB 4.18Å; L197-A421 HydrophobicContact CD1-CB 4.46Å; L197-A421 HydrophobicContact CD2-CB 4.19Å; A421-R463 PolarHBondContact O-NH2 3.47Å; A421-L465 HydrophobicContact CB-CD1 4.44Å
422A95.9Very high96Very high24 Ų2437.6 Ų37.620%0.19819%0.193CC..PPolyproline II helixtrans-66.2147.8176.200000112.2V161 I162 D420 F427V161-A422 VanDerWaalsContact CA-O 3.26Å; V161-A422 WeakPolarHBondContact CA-O 3.38Å; V161-A422 VanDerWaalsContact CB-O 3.3Å; V161-A422 WeakPolarHBondContact CB-O 3.24Å; I162-A422 HydrophobicContact CG1-CB 4.44Å; I162-A422 PolarHBondContact N-O 3.01Å; D420-A422 PolarHBondContact O-N 2.78Å; A422-F427 HydrophobicContact CB-CB 4.18Å; A422-F427 HydrophobicContact CB-CD2 4.12Å
423C95.2Very high95.6Very high27 Ų2745 Ų4518%0.18222%0.221CC..BIsolated β-bridgetrans-62.7138169.7-670000109.7H425 D426 F427C423-H425 VanDerWaalsContact C-N 3.27Å; C423-H425 PolarHBondContact O-N 2.94Å; C423-D426 WeakPolarHBondContact CB-OD2 3.21Å; C423-D426 PolarHBondContact O-N 3.34Å; C423-F427 VanDerWaalsContact O-CB 3.29Å; C423-F427 WeakPolarHBondContact O-CB 3.21Å; C423-F427 PolarHBondContact O-N 2.84Å
424Y95.4Very high95.4Very high67 Ų6747.5 Ų47.526%0.26324%0.237SC..Hα-helixtrans-58.3-39-178170.3-104.5000113.1T131 P137 W160 I162 F427 T428T131-Y424 HydrophobicContact CG2-CD2 3.77Å; T131-Y424 HydrophobicContact CG2-CE2 3.67Å; P137-Y424 HydrophobicContact CB-CE2 4.07Å; P137-Y424 HydrophobicContact CG-CE2 4.33Å; W160-Y424 HydrophobicContact CD2-CG 4.33Å; W160-Y424 AromaticContact CE2-CD1 3.83Å; W160-Y424 AromaticContact CE2-CG 3.76Å; W160-Y424 HydrophobicContact CE3-CG 4.3Å; W160-Y424 AromaticContact CH2-CD1 3.82Å; W160-Y424 HydrophobicContact CH2-CD1 3.82Å; W160-Y424 AromaticContact CH2-CD2 3.01Å; W160-Y424 HydrophobicContact CH2-CD2 3.01Å; W160-Y424 HydrophobicContact CH2-CE1 4.26Å; W160-Y424 AromaticContact CH2-CE2 3.51Å; W160-Y424 HydrophobicContact CH2-CE2 3.51Å; W160-Y424 AromaticContact CH2-CG 3.15Å; W160-Y424 HydrophobicContact CH2-CG 3.15Å; W160-Y424 AromaticContact CZ2-CD1 3.3Å; W160-Y424 HydrophobicContact CZ2-CD1 3.3Å; W160-Y424 AromaticContact CZ2-CD2 3.48Å; W160-Y424 HydrophobicContact CZ2-CD2 3.48Å; W160-Y424 VanDerWaalsContact CZ2-CD2 3.48Å; W160-Y424 AromaticContact CZ2-CE1 3.72Å; W160-Y424 HydrophobicContact CZ2-CE1 3.72Å; W160-Y424 AromaticContact CZ2-CE2 3.84Å; W160-Y424 HydrophobicContact CZ2-CE2 3.84Å; W160-Y424 AromaticContact CZ2-CG 3.15Å; W160-Y424 HydrophobicContact CZ2-CG 3.15Å; W160-Y424 AromaticContact CZ2-CZ 3.96Å; W160-Y424 AromaticContact CZ3-CD2 3.7Å; W160-Y424 HydrophobicContact CZ3-CD2 3.7Å; W160-Y424 AromaticContact CZ3-CG 3.76Å; W160-Y424 HydrophobicContact CZ3-CG 3.76Å; W160-Y424 WeakPolarHBondContact O-CB 3.2Å; W160-Y424 PolarHBondContact O-N 3.32Å; I162-Y424 HydrophobicContact CG2-CD2 4.32Å; Y424-F427 PolarHBondContact O-N 3.03Å; Y424-T428 HydrophobicContact CD2-CG2 3.76Å; Y424-T428 HydrophobicContact CE1-CG2 4.32Å; Y424-T428 HydrophobicContact CE2-CG2 3.36Å; Y424-T428 HydrophobicContact CG-CG2 4.43Å; Y424-T428 WeakPolarHBondContact O-CB 3.32Å; Y424-T428 WeakPolarHBondContact O-CG2 3.23Å; Y424-T428 PolarHBondContact O-N 3.42Å; Y424-T428 PolarHBondContact O-OG1 3.09Å
425H92.9Very high95.2Very high122 Ų12248.2 Ų48.257%0.56524%0.24SC*.Hα-helixtrans-59.7-49.6179.6-178.868000111.7C423 T428 Q429C423-H425 VanDerWaalsContact C-N 3.27Å; C423-H425 PolarHBondContact O-N 2.94Å; H425-T428 PolarHBondContact O-N 3.06Å; H425-T428 PolarHBondContact O-OG1 3.37Å; H425-T428 VanDerWaalsContact O-OG1 3.12Å; H425-Q429 WeakPolarHBondContact O-CG 3.22Å; H425-Q429 PolarHBondContact O-NE2 3.44Å; H425-Q429 VanDerWaalsContact O-NE2 3.16Å
426D93.1Very high94.8Very high100 Ų10048.8 Ų48.854%0.53524%0.244SC..Hα-helixtrans-68.1-44.3179.9-54.6-33.4000110.5C423 T428 Q429C423-D426 WeakPolarHBondContact CB-OD2 3.21Å; C423-D426 PolarHBondContact O-N 3.34Å; D426-T428 PolarHBondContact O-N 3.03Å; D426-T428 VanDerWaalsContact O-N 3.14Å; D426-Q429 PolarHBondContact O-N 3.08Å; D426-Q429 VanDerWaalsContact O-N 3.1Å
427F94.4Very high94.6Very high11 Ų1150.2 Ų50.25%0.04826%0.256CS..Hα-helixtrans-61.8-22.7178.3-171.7-93.2000113.1T131 I162 A422 C423 Y424 R435 E439T131-F427 HydrophobicContact CG2-CD1 4.21Å; T131-F427 HydrophobicContact CG2-CE1 4.29Å; I162-F427 HydrophobicContact CD1-CD1 4.26Å; I162-F427 HydrophobicContact CD1-CD2 3.57Å; I162-F427 HydrophobicContact CD1-CE1 4.19Å; I162-F427 HydrophobicContact CD1-CE2 3.47Å; I162-F427 VanDerWaalsContact CD1-CE2 3.47Å; I162-F427 HydrophobicContact CD1-CG 3.96Å; I162-F427 HydrophobicContact CD1-CZ 3.8Å; I162-F427 HydrophobicContact CG1-CD2 4.43Å; I162-F427 HydrophobicContact CG1-CG 4.5Å; I162-F427 HydrophobicContact CG2-CB 4.04Å; I162-F427 HydrophobicContact CG2-CD1 3.79Å; I162-F427 HydrophobicContact CG2-CE1 4.44Å; I162-F427 HydrophobicContact CG2-CG 3.89Å; A422-F427 HydrophobicContact CB-CB 4.18Å; A422-F427 HydrophobicContact CB-CD2 4.12Å; C423-F427 VanDerWaalsContact O-CB 3.29Å; C423-F427 WeakPolarHBondContact O-CB 3.21Å; C423-F427 PolarHBondContact O-N 2.84Å; Y424-F427 PolarHBondContact O-N 3.03Å; F427-R435 HydrophobicContact CD2-CG 4.49Å; F427-R435 HydrophobicContact CE2-CB 3.93Å; F427-R435 HydrophobicContact CE2-CG 4.12Å; F427-R435 HydrophobicContact CZ-CB 3.81Å; F427-R435 HydrophobicContact CZ-CG 4.16Å; F427-R435 WeakPolarHBondContact O-CD 3.25Å; F427-R435 PolarHBondContact O-NH1 2.54Å; F427-E439 HydrophobicContact CE2-CG 4.06Å
428T93.6Very high94.4Very high48 Ų4853.5 Ų53.529%0.29427%0.271SS..THydrogen-bonded Turntrans-94.5-2.8178.949.30000114Y424 H425 D426Y424-T428 HydrophobicContact CD2-CG2 3.76Å; Y424-T428 HydrophobicContact CE1-CG2 4.32Å; Y424-T428 HydrophobicContact CE2-CG2 3.36Å; Y424-T428 HydrophobicContact CG-CG2 4.43Å; Y424-T428 WeakPolarHBondContact O-CB 3.32Å; Y424-T428 WeakPolarHBondContact O-CG2 3.23Å; Y424-T428 PolarHBondContact O-N 3.42Å; Y424-T428 PolarHBondContact O-OG1 3.09Å; H425-T428 PolarHBondContact O-N 3.06Å; H425-T428 PolarHBondContact O-OG1 3.37Å; H425-T428 VanDerWaalsContact O-OG1 3.12Å; D426-T428 PolarHBondContact O-N 3.03Å; D426-T428 VanDerWaalsContact O-N 3.14Å
429Q94.4Very high94.2Very high133 Ų13353.2 Ų53.262%0.62127%0.269SS*.THydrogen-bonded Turntrans-76.9-24172.6-58.6-48.7-52.100112.9H425 D426H425-Q429 WeakPolarHBondContact O-CG 3.22Å; H425-Q429 PolarHBondContact O-NE2 3.44Å; H425-Q429 VanDerWaalsContact O-NE2 3.16Å; D426-Q429 PolarHBondContact O-N 3.08Å; D426-Q429 VanDerWaalsContact O-N 3.1Å
430E93.8Very high94.1Very high80 Ų8051.4 Ų51.437%0.37426%0.258SS..SBendtrans-93.2154.6178.8-64.9-171.2-176.400112.6T434 R435 Q438E430-T434 VanDerWaalsContact OE2-CG2 3.26Å; E430-T434 WeakPolarHBondContact OE2-CG2 3.16Å; E430-R435 HydrophobicContact CB-CG 3.65Å; E430-R435 WeakPolarHBondContact O-CD 3.46Å; E430-R435 PolarHBondContact O-NE 3.14Å; E430-Q438 PolarHBondContact OE1-NE2 3.47Å; E430-Q438 PolarHBondContact OE2-NE2 3.01Å; E430-Q438 PolarHBondContact OE2-OE1 3.11Å
431D93.1Very high94Very high89 Ų8952.7 Ų52.748%0.47627%0.266SS..  trans-73158.617676.287.4000112.4R433 T434 R435D431-R433 VanDerWaalsContact C-N 3.26Å; D431-R433 PolarHBondContact O-N 2.75Å; D431-R433 WeakPolarHBondContact OD1-CA 3.44Å; D431-R433 WeakPolarHBondContact OD1-CB 3.34Å; D431-R433 PolarHBondContact OD1-N 3.45Å; D431-T434 PolarHBondContact O-N 3.44Å; D431-T434 PolarHBondContact OD1-N 2.81Å; D431-T434 VanDerWaalsContact OD1-N 3.12Å; D431-T434 WeakPolarHBondContact OD2-CB 3.42Å; D431-T434 PolarHBondContact OD2-OG1 3.2Å; D431-R435 VanDerWaalsContact O-CG 3.3Å; D431-R435 WeakPolarHBondContact O-CG 3.3Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 PolarHBondContact O-NE 2.98Å; D431-R435 VanDerWaalsContact O-NE 3.14Å
432N93.1Very high94.1Very high17 Ų1752.9 Ų52.99%0.09127%0.267CS..Hα-helixtrans-57.5-34-177.4-179.6-87.5000113.9M126 D132 V366 R370 S436M126-N432 PolarHBondContact O-ND2 3.48Å; D132-N432 PolarHBondContact OD2-ND2 3.27Å; V366-N432 HydrophobicContact CG1-CB 4.28Å; V366-N432 VanDerWaalsContact CG1-OD1 3.31Å; V366-N432 WeakPolarHBondContact CG1-OD1 3.26Å; V366-N432 HydrophobicContact CG2-CB 3.63Å; R370-N432 PolarHBondContact NH2-OD1 3.27Å; R370-N432 VanDerWaalsContact NH2-OD1 3.12Å; N432-S436 WeakPolarHBondContact O-CB 3.31Å; N432-S436 PolarHBondContact O-N 3.12Å; N432-S436 PolarHBondContact O-OG 3.32Å
433R91.5Very high94.2Very high155 Ų15551.7 Ų51.759%0.58526%0.257SS*.Hα-helixtrans-71.7-45.3-178178.6-171174.6-177.8-2.2110.5D431 S436 A437D431-R433 VanDerWaalsContact C-N 3.26Å; D431-R433 PolarHBondContact O-N 2.75Å; D431-R433 WeakPolarHBondContact OD1-CA 3.44Å; D431-R433 WeakPolarHBondContact OD1-CB 3.34Å; D431-R433 PolarHBondContact OD1-N 3.45Å; R433-S436 PolarHBondContact O-N 3.38Å; R433-A437 WeakPolarHBondContact O-CB 3.36Å; R433-A437 PolarHBondContact O-N 3.44Å
434T93.6Very high94.3Very high55 Ų5550.6 Ų50.634%0.33725%0.25SC..Hα-helixtrans-61.2-47.8179.1-58.70000110.7E430 D431 S436 A437 Q438E430-T434 VanDerWaalsContact OE2-CG2 3.26Å; E430-T434 WeakPolarHBondContact OE2-CG2 3.16Å; D431-T434 PolarHBondContact O-N 3.44Å; D431-T434 PolarHBondContact OD1-N 2.81Å; D431-T434 VanDerWaalsContact OD1-N 3.12Å; D431-T434 WeakPolarHBondContact OD2-CB 3.42Å; D431-T434 PolarHBondContact OD2-OG1 3.2Å; T434-S436 PolarHBondContact O-N 3.12Å; T434-A437 WeakPolarHBondContact O-CB 3.37Å; T434-A437 PolarHBondContact O-N 2.87Å; T434-A437 VanDerWaalsContact O-N 3.14Å; T434-Q438 WeakPolarHBondContact O-CG 3.4Å; T434-Q438 PolarHBondContact O-N 3.33Å; T434-Q438 VanDerWaalsContact O-N 3.1Å
435R94.1Very high94.5Very high14 Ų1447.5 Ų47.55%0.05324%0.237CC..Hα-helixtrans-59.5-47.4177-62.8175.3-60.6165.31.1112.5D132 F427 E430 D431 A437 Q438 E439D132-R435 IonicContact OD1-NH1 2.64Å; D132-R435 IonicContact OD1-NH2 2.75Å; D132-R435 PolarHBondContact OD1-NH2 3.18Å; D132-R435 IonicContact OD2-NH2 3.98Å; D132-R435 PolarHBondContact OD2-NH2 3.01Å; F427-R435 HydrophobicContact CD2-CG 4.49Å; F427-R435 HydrophobicContact CE2-CB 3.93Å; F427-R435 HydrophobicContact CE2-CG 4.12Å; F427-R435 HydrophobicContact CZ-CB 3.81Å; F427-R435 HydrophobicContact CZ-CG 4.16Å; F427-R435 WeakPolarHBondContact O-CD 3.25Å; F427-R435 PolarHBondContact O-NH1 2.54Å; E430-R435 HydrophobicContact CB-CG 3.65Å; E430-R435 WeakPolarHBondContact O-CD 3.46Å; E430-R435 PolarHBondContact O-NE 3.14Å; D431-R435 VanDerWaalsContact O-CG 3.3Å; D431-R435 WeakPolarHBondContact O-CG 3.3Å; D431-R435 PolarHBondContact O-N 3.48Å; D431-R435 PolarHBondContact O-NE 2.98Å; D431-R435 VanDerWaalsContact O-NE 3.14Å; R435-A437 VanDerWaalsContact C-N 3.28Å; R435-A437 PolarHBondContact O-N 3.21Å; R435-Q438 PolarHBondContact O-N 3.17Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.23Å; R435-E439 PolarHBondContact O-N 3.02Å
436S91.6Very high94.7Very high12 Ų1241.7 Ų41.78%0.08421%0.21CC..Hα-helixtrans-63.1-35.3177.6-53.70000112N432 R433 T434 D440N432-S436 WeakPolarHBondContact O-CB 3.31Å; N432-S436 PolarHBondContact O-N 3.12Å; N432-S436 PolarHBondContact O-OG 3.32Å; R433-S436 PolarHBondContact O-N 3.38Å; T434-S436 PolarHBondContact O-N 3.12Å; S436-D440 WeakPolarHBondContact O-CB 3.02Å; S436-D440 PolarHBondContact O-N 2.97Å; S436-D440 VanDerWaalsContact O-N 3.08Å
437A92.9Very high95Very high31 Ų3137 Ų3726%0.25619%0.185SC..Hα-helixtrans-66.8-37.2177.500000112.7I318 R433 T434 R435I318-A437 HydrophobicContact CG2-CB 3.67Å; R433-A437 WeakPolarHBondContact O-CB 3.36Å; R433-A437 PolarHBondContact O-N 3.44Å; T434-A437 WeakPolarHBondContact O-CB 3.37Å; T434-A437 PolarHBondContact O-N 2.87Å; T434-A437 VanDerWaalsContact O-N 3.14Å; R435-A437 VanDerWaalsContact C-N 3.28Å; R435-A437 PolarHBondContact O-N 3.21Å
438Q93.8Very high95.1Very high70 Ų7036.6 Ų36.633%0.32718%0.184SC..Hα-helixtrans-72.3-50.1176.3-67.4168.7-1.200111.3L418 E430 T434 R435 D440 V441L418-Q438 HydrophobicContact CD1-CB 4.05Å; L418-Q438 VanDerWaalsContact CD1-O 3.29Å; L418-Q438 WeakPolarHBondContact CD1-O 3.42Å; E430-Q438 PolarHBondContact OE1-NE2 3.47Å; E430-Q438 PolarHBondContact OE2-NE2 3.01Å; E430-Q438 PolarHBondContact OE2-OE1 3.11Å; T434-Q438 WeakPolarHBondContact O-CG 3.4Å; T434-Q438 PolarHBondContact O-N 3.33Å; T434-Q438 VanDerWaalsContact O-N 3.1Å; R435-Q438 PolarHBondContact O-N 3.17Å; Q438-D440 PolarHBondContact O-N 2.82Å; Q438-V441 WeakPolarHBondContact O-CG1 3.3Å
439E94.1Very high95.4Very high8 Ų835.5 Ų35.54%0.03718%0.18CC..Hα-helixtrans-72.4-25.6-172.4-73.1-58.2131.300114.2A128 N193 F427 R435A128-E439 HydrophobicContact CB-CB 3.62Å; A128-E439 HydrophobicContact CB-CG 3.97Å; N193-E439 PolarHBondContact ND2-O 3.47Å; N193-E439 VanDerWaalsContact ND2-O 3.11Å; N193-E439 PolarHBondContact ND2-OE2 3.1Å; F427-E439 HydrophobicContact CE2-CG 4.06Å; R435-E439 WeakPolarHBondContact O-CB 3.44Å; R435-E439 WeakPolarHBondContact O-CG 3.23Å; R435-E439 PolarHBondContact O-N 3.02Å
440D95.4Very high95.6Very high6 Ų629.8 Ų29.83%0.03216%0.157CC..THydrogen-bonded Turntrans-106.94.9-174.2-62.4-29.8000114.2S436 Q438 F442 T443 Q444S436-D440 WeakPolarHBondContact O-CB 3.02Å; S436-D440 PolarHBondContact O-N 2.97Å; S436-D440 VanDerWaalsContact O-N 3.08Å; Q438-D440 PolarHBondContact O-N 2.82Å; D440-F442 VanDerWaalsContact C-N 3.28Å; D440-F442 PolarHBondContact O-N 3.32Å; D440-T443 VanDerWaalsContact CA-OG1 3.27Å; D440-T443 WeakPolarHBondContact CA-OG1 2.81Å; D440-T443 PolarHBondContact O-N 3.14Å; D440-T443 VanDerWaalsContact O-N 3.09Å; D440-T443 PolarHBondContact O-OG1 3.04Å; D440-T443 VanDerWaalsContact O-OG1 3.09Å; D440-Q444 HydrophobicContact CB-CG 3.83Å; D440-Q444 VanDerWaalsContact CB-NE2 3.35Å; D440-Q444 PolarHBondContact O-N 3.18Å; D440-Q444 VanDerWaalsContact O-N 3.11Å
441V95.8Very high95.8Very high38 Ų3826.6 Ų26.623%0.2314%0.142CC..THydrogen-bonded Turntrans-57-37.2-172.467.60000113.6I318 L418 Q438I318-V441 HydrophobicContact CD1-CB 4.49Å; L418-V441 HydrophobicContact CD1-CG1 4.32Å; L418-V441 HydrophobicContact CD2-CG1 3.99Å; L418-V441 HydrophobicContact CG-CG1 4Å; Q438-V441 WeakPolarHBondContact O-CG1 3.3Å
442F98.1Very high96.1Very high3 Ų322.3 Ų22.31%0.01312%0.119CC..THydrogen-bonded Turntrans-91.8-12.7-179.3-57-50.1000113.8Y279 A281 L284 P415 L418 D440 Q470Y279-F442 HydrophobicContact CD2-CB 4.18Å; Y279-F442 AromaticContact CD2-CD1 3.33Å; Y279-F442 HydrophobicContact CD2-CD1 3.33Å; Y279-F442 HydrophobicContact CD2-CE1 4.03Å; Y279-F442 HydrophobicContact CD2-CG 4.07Å; Y279-F442 HydrophobicContact CE2-CB 4.03Å; Y279-F442 AromaticContact CE2-CD1 3.89Å; Y279-F442 HydrophobicContact CE2-CD1 3.89Å; Y279-F442 HydrophobicContact CE2-CG 4.4Å; Y279-F442 AromaticContact CG-CD1 3.91Å; Y279-F442 HydrophobicContact CG-CD1 3.91Å; Y279-F442 HydrophobicContact CG-CE1 4.21Å; Y279-F442 VanDerWaalsContact O-CE1 3.22Å; Y279-F442 WeakPolarHBondContact O-CE1 3.26Å; A281-F442 HydrophobicContact CB-CE1 3.69Å; A281-F442 HydrophobicContact CB-CZ 3.8Å; L284-F442 HydrophobicContact CD1-CE2 4.06Å; L284-F442 HydrophobicContact CD1-CZ 4.1Å; P415-F442 HydrophobicContact CB-CD2 3.8Å; P415-F442 HydrophobicContact CB-CE2 3.75Å; P415-F442 HydrophobicContact CB-CG 4.48Å; P415-F442 HydrophobicContact CB-CZ 4.4Å; P415-F442 HydrophobicContact CG-CE2 4.22Å; P415-F442 HydrophobicContact CG-CZ 4.39Å; P415-F442 VanDerWaalsContact O-CB 3.3Å; P415-F442 WeakPolarHBondContact O-CB 3.39Å; L418-F442 HydrophobicContact CD2-CE2 3.65Å; L418-F442 HydrophobicContact CD2-CZ 3.66Å; L418-F442 HydrophobicContact CG-CE2 4.12Å; D440-F442 VanDerWaalsContact C-N 3.28Å; D440-F442 PolarHBondContact O-N 3.32Å; F442-Q470 PolarHBondContact O-NE2 3.47Å
443T98.4Very high96.3Very high0 Ų021.5 Ų21.50%012%0.115CC..THydrogen-bonded Turntrans-105.4-36.2-167.450.20000113G188 G189 R192 T416 D440 P445 A446 N447G188-T443 CarbonylContact O-C 3.1Å; G188-T443 PolarHBondContact O-OG1 2.93Å; G189-T443 WeakPolarHBondContact CA-OG1 3.25Å; R192-T443 HydrophobicContact CB-CG2 4.26Å; R192-T443 PolarHBondContact NH1-O 3.17Å; R192-T443 PolarHBondContact NH2-O 3.03Å; T416-T443 HydrophobicContact CG2-CG2 4.06Å; D440-T443 VanDerWaalsContact CA-OG1 3.27Å; D440-T443 WeakPolarHBondContact CA-OG1 2.81Å; D440-T443 PolarHBondContact O-N 3.14Å; D440-T443 VanDerWaalsContact O-N 3.09Å; D440-T443 PolarHBondContact O-OG1 3.04Å; D440-T443 VanDerWaalsContact O-OG1 3.09Å; T443-P445 VanDerWaalsContact C-CD 3.43Å; T443-A446 PolarHBondContact O-N 2.8Å; T443-N447 PolarHBondContact O-OD1 3.16Å; T443-N447 VanDerWaalsContact O-OD1 3.06Å
444Q97.8Very high96.7Very high4 Ų414.1 Ų14.12%0.0199%0.087CC..Hα-helixtrans-56.7-39.8179.5-72.3177.91200115.3G188 S317 I318 Y321 D440 A446 N447 M448G188-Q444 WeakPolarHBondContact O-CG 3.37Å; G188-Q444 PolarHBondContact O-N 3.5Å; G188-Q444 VanDerWaalsContact O-N 3.17Å; S317-Q444 PolarHBondContact O-OE1 3.11Å; I318-Q444 VanDerWaalsContact CA-OE1 3.3Å; Y321-Q444 HydrophobicContact CD2-CG 4.34Å; Y321-Q444 HydrophobicContact CG-CG 4.21Å; D440-Q444 HydrophobicContact CB-CG 3.83Å; D440-Q444 VanDerWaalsContact CB-NE2 3.35Å; D440-Q444 PolarHBondContact O-N 3.18Å; D440-Q444 VanDerWaalsContact O-N 3.11Å; Q444-A446 PolarHBondContact O-N 3.12Å; Q444-N447 PolarHBondContact O-N 2.99Å; Q444-M448 PolarHBondContact O-N 3.48Å; Q444-M448 VanDerWaalsContact O-N 3.09Å
445P98.4Very high96.9Very high1 Ų111.5 Ų11.51%0.0067%0.071CC..Hα-helixtrans-54-38-179.1-29.936.9000113.8T314 I397 F401 T443 M448 A449T314-P445 HydrophobicContact CG2-CB 3.99Å; T314-P445 HydrophobicContact CG2-CG 4.17Å; I397-P445 HydrophobicContact CG2-CB 4.26Å; F401-P445 HydrophobicContact CE2-CB 3.74Å; F401-P445 HydrophobicContact CZ-CB 3.74Å; T443-P445 VanDerWaalsContact C-CD 3.43Å; P445-M448 WeakPolarHBondContact O-CB 3.4Å; P445-M448 PolarHBondContact O-N 3.04Å; P445-A449 WeakPolarHBondContact O-CB 3.45Å; P445-A449 PolarHBondContact O-N 3.16Å; P445-A449 VanDerWaalsContact O-N 3.08Å
446A98.4Very high97.1Very high0 Ų011 Ų110%07%0.069CC..Hα-helixtrans-66.9-38.1178.800000112.6T443 Q444 A449 G450 L451 A453 I472T443-A446 PolarHBondContact O-N 2.8Å; Q444-A446 PolarHBondContact O-N 3.12Å; A446-A449 PolarHBondContact O-N 3.11Å; A446-G450 PolarHBondContact O-N 2.97Å; A446-L451 PolarHBondContact O-N 3.25Å; A446-A453 HydrophobicContact CB-CB 4.15Å; A446-I472 HydrophobicContact CB-CD1 4.37Å; A446-I472 HydrophobicContact CB-CG2 4.28Å
447N98.4Very high97.4Very high1 Ų110.8 Ų10.81%0.0057%0.068CC..Hα-helixtrans-65.8-42.8175.1-56.981.5000111.3D186 T187 G188 R192 K204 M222 T443 Q444 A449 G450D186-N447 PolarHBondContact O-ND2 2.89Å; D186-N447 PolarHBondContact OD1-ND2 3.46Å; D186-N447 PolarHBondContact OD1-OD1 3.14Å; T187-N447 VanDerWaalsContact C-CG 3.48Å; T187-N447 WeakPolarHBondContact O-CB 3.47Å; T187-N447 PolarHBondContact O-ND2 3.1Å; G188-N447 WeakPolarHBondContact CA-OD1 3.39Å; R192-N447 PolarHBondContact NH2-OD1 3.36Å; K204-N447 WeakPolarHBondContact CD-ND2 3.43Å; M222-N447 HydrophobicContact CB-CB 4.33Å; T443-N447 PolarHBondContact O-OD1 3.16Å; T443-N447 VanDerWaalsContact O-OD1 3.06Å; Q444-N447 PolarHBondContact O-N 2.99Å; N447-A449 VanDerWaalsContact C-N 3.27Å; N447-A449 PolarHBondContact O-N 2.87Å; N447-G450 PolarHBondContact O-N 2.93Å; N447-G450 VanDerWaalsContact O-N 3.09Å
448M97.7Very high97.7Very high4 Ų49.5 Ų9.52%0.026%0.056CC..Hα-helixtrans-59.4-40.7178-72.3-162.4-173.500112.6M222 S317 C320 Y321 R394 I397 Q444 P445 G450M222-M448 HydrophobicContact CE-CG 4.04Å; M222-M448 HydrophobicContact SD-CG 4.35Å; S317-M448 WeakPolarHBondContact O-CE 3.32Å; C320-M448 HydrophobicContact CB-CE 3.85Å; C320-M448 HydrophobicContact CB-SD 4.23Å; Y321-M448 VanDerWaalsContact CA-CE 3.44Å; Y321-M448 HydrophobicContact CD2-CE 4.44Å; Y321-M448 HydrophobicContact CG-CE 4.41Å; R394-M448 HydrophobicContact CG-CB 4.05Å; R394-M448 HydrophobicContact CG-CG 4.45Å; R394-M448 PolarHBondContact NE-O 2.99Å; R394-M448 PolarHBondContact NH2-O 3.05Å; I397-M448 HydrophobicContact CD1-SD 3.48Å; I397-M448 WeakPolarHBondContact CD1-SD 3.46Å; I397-M448 HydrophobicContact CG2-CB 4.3Å; Q444-M448 PolarHBondContact O-N 3.48Å; Q444-M448 VanDerWaalsContact O-N 3.09Å; P445-M448 WeakPolarHBondContact O-CB 3.4Å; P445-M448 PolarHBondContact O-N 3.04Å; M448-G450 VanDerWaalsContact C-N 3.35Å
449A98.3Very high97.8Very high25 Ų256.7 Ų6.721%0.2075%0.046CC..Hα-helixtrans-83.3-8.4177.900000113.7A398 F401 P445 A446 N447 L451A398-A449 HydrophobicContact CB-CB 4.15Å; F401-A449 HydrophobicContact CD2-CB 3.64Å; F401-A449 HydrophobicContact CE2-CB 4.09Å; F401-A449 HydrophobicContact CG-CB 4.36Å; P445-A449 WeakPolarHBondContact O-CB 3.45Å; P445-A449 PolarHBondContact O-N 3.16Å; P445-A449 VanDerWaalsContact O-N 3.08Å; A446-A449 PolarHBondContact O-N 3.11Å; N447-A449 VanDerWaalsContact C-N 3.27Å; N447-A449 PolarHBondContact O-N 2.87Å; A449-L451 VanDerWaalsContact C-N 3.29Å; A449-L451 HydrophobicContact CB-CD1 3.62Å; A449-L451 HydrophobicContact CB-CG 3.7Å; A449-L451 PolarHBondContact O-N 3.46Å
450G98.3Very high97.8Very high13 Ų138.9 Ų8.913%0.1346%0.058CC..THydrogen-bonded Turntrans72.717.1-178.900000114.6Y207 A446 N447 M448Y207-G450 PolarHBondContact N-O 3.03Å; A446-G450 PolarHBondContact O-N 2.97Å; N447-G450 PolarHBondContact O-N 2.93Å; N447-G450 VanDerWaalsContact O-N 3.09Å; M448-G450 VanDerWaalsContact C-N 3.35Å
451L98.8Very high97.9Very high12 Ų128.9 Ų8.96%0.0636%0.058CC..  trans-87.2146.3-169.7-64.2170.5000113K204 F401 F405 A446 A449 I472 A475K204-L451 WeakPolarHBondContact CE-O 3.13Å; K204-L451 PolarHBondContact NZ-O 3.35Å; F401-L451 HydrophobicContact CB-CD1 3.65Å; F401-L451 HydrophobicContact CD1-CD1 3.42Å; F401-L451 VanDerWaalsContact CD1-CD1 3.42Å; F401-L451 HydrophobicContact CD2-CD1 3.81Å; F401-L451 HydrophobicContact CE1-CD1 3.96Å; F401-L451 HydrophobicContact CE2-CD1 4.3Å; F401-L451 HydrophobicContact CG-CD1 3.35Å; F401-L451 HydrophobicContact CZ-CD1 4.38Å; F405-L451 HydrophobicContact CE2-CD1 3.79Å; F405-L451 HydrophobicContact CE2-CD2 4.05Å; F405-L451 HydrophobicContact CZ-CD1 4.48Å; A446-L451 PolarHBondContact O-N 3.25Å; A449-L451 VanDerWaalsContact C-N 3.29Å; A449-L451 HydrophobicContact CB-CD1 3.62Å; A449-L451 HydrophobicContact CB-CG 3.7Å; A449-L451 PolarHBondContact O-N 3.46Å; L451-I472 HydrophobicContact CB-CG2 4.02Å; L451-I472 HydrophobicContact CD1-CG2 4.07Å; L451-A475 HydrophobicContact CD2-CB 4.17Å
452P98.7Very high97.8Very high0 Ų014.4 Ų14.40%08%0.082CC..  trans-68.2141.3172.731.4-34.1000110.8K204 T206 G473 P474 D478 L481K204-P452 CarbonylContact O-C 3.53Å; K204-P452 VanDerWaalsContact O-CA 3.29Å; K204-P452 WeakPolarHBondContact O-CA 3.18Å; T206-P452 VanDerWaalsContact OG1-CD 3.24Å; T206-P452 WeakPolarHBondContact OG1-CD 3.39Å; T206-P452 WeakPolarHBondContact OG1-CG 3.45Å; P452-G473 WeakPolarHBondContact CD-O 3.46Å; P452-G473 PolarHBondContact O-N 3.45Å; P452-P474 WeakPolarHBondContact CD-O 3.41Å; P452-P474 WeakPolarHBondContact CG-O 3.21Å; P452-D478 WeakPolarHBondContact CB-OD1 3.3Å; P452-L481 HydrophobicContact CB-CD2 3.78Å; P452-L481 HydrophobicContact CG-CD2 4.15Å
453A98.9Very high97.5Very high0 Ų017.7 Ų17.70%09%0.094CC..EExtended strand (participates in β ladder)trans-147.8140177.300000110.8K204 A446 Q470 L471 I472K204-A453 PolarHBondContact N-O 3.39Å; K204-A453 PolarHBondContact O-N 2.88Å; A446-A453 HydrophobicContact CB-CB 4.15Å; A453-Q470 HydrophobicContact CB-CG 4.36Å; A453-L471 CarbonylContact C-O 3.58Å; A453-L471 WeakPolarHBondContact CA-O 3.42Å; A453-I472 HydrophobicContact CB-CG1 4.14Å; A453-I472 HydrophobicContact CB-CG2 4.48Å
454V98.9Very high97.3Very high0 Ų017.7 Ų17.70%09%0.094CC..EExtended strand (participates in β ladder)trans-128130.1179.159.90000110.2V201 A202 L203 V456 Q470 L471 L481 A485V201-V454 HydrophobicContact CG1-CG2 3.86Å; A202-V454 WeakPolarHBondContact O-CA 3.39Å; L203-V454 HydrophobicContact CB-CG2 4.31Å; L203-V454 HydrophobicContact CD1-CB 3.97Å; V454-V456 HydrophobicContact CG2-CG2 4.22Å; V454-Q470 CarbonylContact O-C 3.43Å; V454-Q470 VanDerWaalsContact O-CA 3.31Å; V454-Q470 WeakPolarHBondContact O-CA 3.27Å; V454-L471 HydrophobicContact CG1-CB 3.99Å; V454-L471 HydrophobicContact CG1-CD1 4.47Å; V454-L471 PolarHBondContact N-O 2.93Å; V454-L471 PolarHBondContact O-N 3.21Å; V454-L481 HydrophobicContact CG1-CD1 4.09Å; V454-L481 HydrophobicContact CG1-CD2 4.22Å; V454-L481 HydrophobicContact CG1-CG 3.95Å; V454-A485 HydrophobicContact CG1-CB 3.62Å
455S98.8Very high97.2Very high0 Ų017.5 Ų17.50%09%0.093CC..EExtended strand (participates in β ladder)trans-90.9131.3168.3-174.10000109.1R192 V201 A202 T416 L469R192-S455 PolarHBondContact O-OG 2.92Å; V201-S455 WeakPolarHBondContact CA-O 3.37Å; A202-S455 PolarHBondContact N-O 2.91Å; A202-S455 PolarHBondContact O-N 2.93Å; T416-S455 PolarHBondContact OG1-OG 3.36Å; S455-L469 CarbonylContact C-O 3.52Å; S455-L469 WeakPolarHBondContact CA-O 3.38Å
456V98.5Very high97.1Very high3 Ų317.4 Ų17.42%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-124133.1177.2-177.70000108.1V232 V454 T458 G468 L469 A485 V488 E489V232-V456 HydrophobicContact CG2-CG2 4.2Å; V454-V456 HydrophobicContact CG2-CG2 4.22Å; V456-T458 WeakPolarHBondContact O-CG2 3.28Å; V456-G468 WeakPolarHBondContact O-CA 3.28Å; V456-L469 PolarHBondContact N-O 3.21Å; V456-L469 PolarHBondContact O-N 3.28Å; V456-A485 HydrophobicContact CG2-CB 4.01Å; V456-V488 HydrophobicContact CG1-CG1 4.42Å; V456-E489 HydrophobicContact CG1-CB 4.11Å
457P97.8Very high97.1Very high8 Ų817.5 Ų17.55%0.0529%0.093CC..EExtended strand (participates in β ladder)trans-71.4129.5174.231.4-35.5000110.4F494P457-F494 HydrophobicContact CB-CB 4.39Å; P457-F494 HydrophobicContact CB-CD1 3.62Å; P457-F494 HydrophobicContact CB-CD2 3.78Å; P457-F494 HydrophobicContact CB-CE1 3.71Å; P457-F494 HydrophobicContact CB-CE2 3.89Å; P457-F494 HydrophobicContact CB-CG 3.65Å; P457-F494 HydrophobicContact CB-CZ 3.86Å; P457-F494 HydrophobicContact CG-CB 4.3Å; P457-F494 HydrophobicContact CG-CD1 3.64Å; P457-F494 HydrophobicContact CG-CE1 4.05Å; P457-F494 HydrophobicContact CG-CG 3.91Å; P457-F494 WeakPolarHBondContact O-CB 3.4Å
458T97.7Very high97.1Very high3 Ų317.4 Ų17.42%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-119.8-17.8-170.859.10000114.4V295 V456 I467 L469 V488 V492V295-T458 HydrophobicContact CG2-CG2 4.15Å; V456-T458 WeakPolarHBondContact O-CG2 3.28Å; T458-I467 PolarHBondContact N-O 2.99Å; T458-I467 PolarHBondContact OG1-O 3.42Å; T458-L469 HydrophobicContact CG2-CB 3.86Å; T458-L469 HydrophobicContact CG2-CD1 3.96Å; T458-L469 HydrophobicContact CG2-CG 3.8Å; T458-V488 HydrophobicContact CG2-CG1 4.3Å; T458-V492 HydrophobicContact CG2-CG1 4.42Å
459G95.5Very high97.2Very high11 Ų1117.4 Ų17.411%0.1139%0.093CC..EExtended strand (participates in β ladder)trans-174.9176.5178.700000112.6I467 F494G459-I467 PolarHBondContact N-O 3.35Å; G459-I467 PolarHBondContact O-N 3.01Å; G459-F494 WeakPolarHBondContact O-CE2 3.42Å
460L96.1Very high97.2Very high54 Ų5416.2 Ų16.228%0.2838%0.083SC..EExtended strand (participates in β ladder)trans-106.6144.3170.4-61.4177.9000109.7W142 L465 F494 P495W142-L460 HydrophobicContact CE3-CD2 4.26Å; W142-L460 HydrophobicContact CH2-CD2 3.71Å; W142-L460 HydrophobicContact CZ2-CD2 4.47Å; W142-L460 HydrophobicContact CZ3-CD1 4.19Å; W142-L460 HydrophobicContact CZ3-CD2 3.58Å; L460-L465 CarbonylContact C-O 3.55Å; L460-L465 VanDerWaalsContact CA-O 3.24Å; L460-L465 WeakPolarHBondContact CA-O 3.34Å; L460-F494 HydrophobicContact CD2-CE2 3.72Å; L460-F494 HydrophobicContact CD2-CZ 3.95Å; L460-F494 HydrophobicContact CG-CE2 4.31Å; L460-P495 HydrophobicContact CD1-CG 3.86Å; L460-P495 HydrophobicContact CG-CG 4.17Å
461S96.1Very high97.2Very high6 Ų615.7 Ų15.74%0.0428%0.077CC..  trans-69173.1166.868.80000111.3E287 D420 R463 G464 L465E287-S461 WeakPolarHBondContact OE1-CA 3.08Å; E287-S461 WeakPolarHBondContact OE1-CB 3.38Å; D420-S461 VanDerWaalsContact OD2-CB 3.24Å; D420-S461 WeakPolarHBondContact OD2-CB 3.47Å; D420-S461 PolarHBondContact OD2-OG 3.35Å; S461-R463 PolarHBondContact O-N 3.45Å; S461-R463 PolarHBondContact OG-N 3.19Å; S461-G464 WeakPolarHBondContact O-CA 3.44Å; S461-G464 PolarHBondContact O-N 2.9Å; S461-G464 PolarHBondContact OG-N 2.95Å; S461-L465 PolarHBondContact N-O 3.49Å; S461-L465 PolarHBondContact OG-N 3.06Å; S461-L465 PolarHBondContact OG-O 3.33Å
462Q93.7Very high97.2Very high155 Ų15515.1 Ų15.172%0.7247%0.074SC*.THydrogen-bonded Turntrans-60.7-26.2170.9-71176.22800112.3Q151 E287 G464Q151-Q462 WeakPolarHBondContact CB-O 3.29Å; Q151-Q462 PolarHBondContact OE1-O 3.24Å; Q151-Q462 VanDerWaalsContact OE1-O 3.12Å; E287-Q462 WeakPolarHBondContact OE1-CG 3.43Å; E287-Q462 PolarHBondContact OE1-N 2.92Å; Q462-G464 PolarHBondContact O-N 2.92Å
463R92.7Very high97.2Very high71 Ų7115.1 Ų15.127%0.2687%0.074SC..THydrogen-bonded Turntrans-78-6.8171.6-58.7-166.4-63.7162.8-1.9112.2Y148 Q151 D420 A421 S461 L465Y148-R463 VanDerWaalsContact CA-O 3.27Å; Y148-R463 WeakPolarHBondContact CA-O 3.42Å; Y148-R463 HydrophobicContact CD2-CB 4.39Å; Y148-R463 VanDerWaalsContact CD2-O 3.29Å; Y148-R463 WeakPolarHBondContact CD2-O 3.47Å; Y148-R463 HydrophobicContact CE2-CB 4.49Å; Q151-R463 VanDerWaalsContact OE1-C 3.29Å; D420-R463 IonicContact OD1-CZ 3.34Å; D420-R463 IonicContact OD1-NE 2.64Å; D420-R463 IonicContact OD1-NH2 3.14Å; D420-R463 PolarHBondContact OD1-NH2 3.33Å; D420-R463 IonicContact OD2-CZ 3.63Å; D420-R463 IonicContact OD2-NE 3.32Å; D420-R463 PolarHBondContact OD2-NE 3.27Å; D420-R463 IonicContact OD2-NH2 2.97Å; D420-R463 PolarHBondContact OD2-NH2 3.22Å; A421-R463 PolarHBondContact O-NH2 3.47Å; S461-R463 PolarHBondContact O-N 3.45Å; S461-R463 PolarHBondContact OG-N 3.19Å; R463-L465 HydrophobicContact CB-CD1 4.36Å; R463-L465 HydrophobicContact CB-CG 4.37Å
464G93.4Very high97.2Very high0 Ų016 Ų160%08%0.08CC..SBendtrans79.822.5179.300000113.3S147 S461 Q462S147-G464 PolarHBondContact OG-O 3.3Å; S461-G464 WeakPolarHBondContact O-CA 3.44Å; S461-G464 PolarHBondContact O-N 2.9Å; S461-G464 PolarHBondContact OG-N 2.95Å; Q462-G464 PolarHBondContact O-N 2.92Å
465L95.9Very high97.1Very high0 Ų018.6 Ų18.60%010%0.101CC..  trans-103.4152.6178.4-65.3174.6000111.1W142 Y148 V161 D420 A421 L460 S461 R463W142-L465 HydrophobicContact CB-CD2 3.81Å; Y148-L465 HydrophobicContact CD2-CD1 3.88Å; Y148-L465 HydrophobicContact CD2-CD2 3.52Å; Y148-L465 HydrophobicContact CD2-CG 3.57Å; Y148-L465 HydrophobicContact CE2-CD1 3.77Å; Y148-L465 HydrophobicContact CE2-CD2 4.11Å; Y148-L465 HydrophobicContact CE2-CG 4.02Å; Y148-L465 HydrophobicContact CG-CD2 3.81Å; Y148-L465 HydrophobicContact CG-CG 4.35Å; V161-L465 HydrophobicContact CG1-CD1 3.9Å; V161-L465 HydrophobicContact CG2-CD1 4.24Å; V161-L465 HydrophobicContact CG2-CD2 3.92Å; D420-L465 HydrophobicContact CB-CB 3.9Å; A421-L465 HydrophobicContact CB-CD1 4.44Å; L460-L465 CarbonylContact C-O 3.55Å; L460-L465 VanDerWaalsContact CA-O 3.24Å; L460-L465 WeakPolarHBondContact CA-O 3.34Å; S461-L465 PolarHBondContact N-O 3.49Å; S461-L465 PolarHBondContact OG-N 3.06Å; S461-L465 PolarHBondContact OG-O 3.33Å; R463-L465 HydrophobicContact CB-CD1 4.36Å; R463-L465 HydrophobicContact CB-CG 4.37Å
466P97.5Very high96.9Very high0 Ų022 Ų220%012%0.119CC..EExtended strand (participates in β ladder)trans-61.1140179.7-24.435.8000113.9W142 A196 F494W142-P466 HydrophobicContact CD2-CG 3.61Å; W142-P466 HydrophobicContact CE3-CG 4.33Å; W142-P466 HydrophobicContact CG-CG 3.71Å; W142-P466 HydrophobicContact CZ2-CG 3.99Å; W142-P466 VanDerWaalsContact NE1-CG 3.32Å; A196-P466 WeakPolarHBondContact O-CB 3.46Å; P466-F494 HydrophobicContact CB-CE2 4.4Å; P466-F494 HydrophobicContact CB-CZ 4.05Å; P466-F494 HydrophobicContact CG-CZ 4.13Å
467I98.3Very high96.8Very high1 Ų125.5 Ų25.51%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-113.5127.2161.9-61.7173000107E287 T288 Q291 D420 T458 G459E287-I467 HydrophobicContact CB-CD1 3.97Å; T288-I467 HydrophobicContact CG2-CG2 4.36Å; Q291-I467 HydrophobicContact CB-CG2 4.03Å; Q291-I467 HydrophobicContact CG-CB 4.33Å; Q291-I467 HydrophobicContact CG-CD1 3.84Å; Q291-I467 HydrophobicContact CG-CG2 4.01Å; D420-I467 HydrophobicContact CB-CG1 4.46Å; T458-I467 PolarHBondContact N-O 2.99Å; T458-I467 PolarHBondContact OG1-O 3.42Å; G459-I467 PolarHBondContact N-O 3.35Å; G459-I467 PolarHBondContact O-N 3.01Å
468G98.1Very high96.7Very high0 Ų025.3 Ų25.30%013%0.134CC..EExtended strand (participates in β ladder)trans-113.8139.5178.500000112.2T416 V456T416-G468 WeakPolarHBondContact CB-O 3.02Å; T416-G468 PolarHBondContact N-O 2.83Å; T416-G468 PolarHBondContact OG1-O 3.24Å; V456-G468 WeakPolarHBondContact O-CA 3.28Å
469L98.8Very high96.6Very high3 Ų329.1 Ų29.12%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-108.8153.6168.8-60.3-176.9000110.3W292 V295 L413 T416 S455 V456 T458W292-L469 HydrophobicContact CB-CD2 4.02Å; W292-L469 HydrophobicContact CG-CD2 4.44Å; V295-L469 HydrophobicContact CB-CD1 3.57Å; V295-L469 HydrophobicContact CG1-CD1 4.05Å; V295-L469 HydrophobicContact CG2-CD1 3.56Å; L413-L469 HydrophobicContact CD1-CB 4.11Å; L413-L469 HydrophobicContact CD1-CD1 4.09Å; T416-L469 PolarHBondContact OG1-O 3.44Å; S455-L469 CarbonylContact C-O 3.52Å; S455-L469 WeakPolarHBondContact CA-O 3.38Å; V456-L469 PolarHBondContact N-O 3.21Å; V456-L469 PolarHBondContact O-N 3.28Å; T458-L469 HydrophobicContact CG2-CB 3.86Å; T458-L469 HydrophobicContact CG2-CD1 3.96Å; T458-L469 HydrophobicContact CG2-CG 3.8Å
470Q98.8Very high96.6Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-110.1136.2-178.5168.6177.8-113.600110.1T414 T416 F442 A453 V454 I472T414-Q470 PolarHBondContact N-O 3.49Å; T414-Q470 PolarHBondContact O-N 3.45Å; T414-Q470 PolarHBondContact OG1-NE2 2.98Å; T416-Q470 WeakPolarHBondContact OG1-CB 3.31Å; T416-Q470 PolarHBondContact OG1-N 3.11Å; F442-Q470 PolarHBondContact O-NE2 3.47Å; A453-Q470 HydrophobicContact CB-CG 4.36Å; V454-Q470 CarbonylContact O-C 3.43Å; V454-Q470 VanDerWaalsContact O-CA 3.31Å; V454-Q470 WeakPolarHBondContact O-CA 3.27Å; Q470-I472 HydrophobicContact CG-CG1 3.81Å
471L98.9Very high96.7Very high3 Ų328.9 Ų28.92%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-106.6131.4164-66159.9000108.9F299 V411 L412 L413 A453 V454 L481 V484 A485 V488F299-L471 HydrophobicContact CZ-CD2 4.47Å; V411-L471 HydrophobicContact CG2-CD2 4.35Å; L412-L471 CarbonylContact O-C 3.53Å; L412-L471 VanDerWaalsContact O-CA 3.25Å; L412-L471 WeakPolarHBondContact O-CA 3.33Å; L413-L471 HydrophobicContact CB-CD2 4.28Å; L413-L471 HydrophobicContact CD1-CD2 3.85Å; L413-L471 HydrophobicContact CD1-CG 4.4Å; A453-L471 CarbonylContact C-O 3.58Å; A453-L471 WeakPolarHBondContact CA-O 3.42Å; V454-L471 HydrophobicContact CG1-CB 3.99Å; V454-L471 HydrophobicContact CG1-CD1 4.47Å; V454-L471 PolarHBondContact N-O 2.93Å; V454-L471 PolarHBondContact O-N 3.21Å; L471-L481 HydrophobicContact CB-CD1 3.53Å; L471-V484 HydrophobicContact CD1-CG1 4.25Å; L471-V484 HydrophobicContact CD2-CG1 4.35Å; L471-A485 VanDerWaalsContact CD1-CA 3.43Å; L471-A485 HydrophobicContact CD1-CB 3.65Å; L471-V488 HydrophobicContact CD1-CG2 4.11Å
472I98.9Very high96.8Very high0 Ų028.6 Ų28.60%014%0.141CC..EExtended strand (participates in β ladder)trans-116.1126.6174.8-47.4173.9000108.3F401 F405 V411 L412 T414 A446 L451 A453 Q470F401-I472 HydrophobicContact CE1-CD1 4.1Å; F401-I472 HydrophobicContact CE1-CG2 4.3Å; F401-I472 HydrophobicContact CZ-CD1 4.41Å; F405-I472 HydrophobicContact CZ-CG2 4.46Å; V411-I472 CarbonylContact C-O 3.52Å; V411-I472 WeakPolarHBondContact CA-O 3.39Å; L412-I472 HydrophobicContact CB-CB 4.19Å; L412-I472 PolarHBondContact N-O 3.07Å; L412-I472 PolarHBondContact O-N 3.19Å; T414-I472 HydrophobicContact CG2-CD1 4.37Å; A446-I472 HydrophobicContact CB-CD1 4.37Å; A446-I472 HydrophobicContact CB-CG2 4.28Å; L451-I472 HydrophobicContact CB-CG2 4.02Å; L451-I472 HydrophobicContact CD1-CG2 4.07Å; A453-I472 HydrophobicContact CB-CG1 4.14Å; A453-I472 HydrophobicContact CB-CG2 4.48Å; Q470-I472 HydrophobicContact CG-CG1 3.81Å
473G98.6Very high96.9Very high0 Ų021.5 Ų21.50%011%0.109CC..  trans-109.1168.7179.200000113P452P452-G473 WeakPolarHBondContact CD-O 3.46Å; P452-G473 PolarHBondContact O-N 3.45Å
474P98Very high97.2Very high18 Ų1818.1 Ų18.112%0.11710%0.096CC..  trans-59.8152.4167.5-21.731.8000111.9F405 D410 P452 L476 E477F405-P474 HydrophobicContact CB-CG 4.33Å; F405-P474 HydrophobicContact CD1-CG 3.87Å; F405-P474 HydrophobicContact CD2-CB 4.37Å; F405-P474 HydrophobicContact CD2-CG 4.29Å; F405-P474 HydrophobicContact CE1-CG 4.2Å; F405-P474 HydrophobicContact CG-CB 4.42Å; F405-P474 HydrophobicContact CG-CG 3.93Å; D410-P474 WeakPolarHBondContact O-CD 3.48Å; P452-P474 WeakPolarHBondContact CD-O 3.41Å; P452-P474 WeakPolarHBondContact CG-O 3.21Å; P474-L476 PolarHBondContact O-N 3.42Å; P474-E477 HydrophobicContact CB-CB 4.21Å; P474-E477 HydrophobicContact CB-CG 4.05Å; P474-E477 HydrophobicContact CG-CB 4.46Å; P474-E477 HydrophobicContact CG-CG 4.44Å; P474-E477 PolarHBondContact O-N 3.23Å; P474-E477 VanDerWaalsContact O-N 3.12Å
475A96.6Very high97.4Very high55 Ų5518.1 Ų18.146%0.45510%0.096SC..THydrogen-bonded Turntrans-56.3134.5175.400000110.9T206 L451 E477T206-A475 HydrophobicContact CG2-CB 4.08Å; L451-A475 HydrophobicContact CD2-CB 4.17Å; A475-E477 PolarHBondContact O-N 2.83Å
476L95.5Very high97.5Very high70 Ų7019 Ų1937%0.36610%0.101SC..THydrogen-bonded Turntrans65.710.2-179.1-53.4176.3000115T206 L209 V253 P256 P474T206-L476 HydrophobicContact CG2-CD2 3.73Å; T206-L476 HydrophobicContact CG2-CG 4.13Å; T206-L476 PolarHBondContact OG1-N 3.45Å; L209-L476 HydrophobicContact CD1-CD2 4.41Å; V253-L476 HydrophobicContact CG2-CD2 3.85Å; P256-L476 HydrophobicContact CG-CB 4.1Å; P256-L476 WeakPolarHBondContact CG-O 3.4Å; P474-L476 PolarHBondContact O-N 3.42Å
477E95.9Very high97.5Very high77 Ų7720.6 Ų20.636%0.3611%0.107SC..  trans-99.325.6169.9-65.8-164-162.400112.7P474 A475 K479 K480 L481P474-E477 HydrophobicContact CB-CB 4.21Å; P474-E477 HydrophobicContact CB-CG 4.05Å; P474-E477 HydrophobicContact CG-CB 4.46Å; P474-E477 HydrophobicContact CG-CG 4.44Å; P474-E477 PolarHBondContact O-N 3.23Å; P474-E477 VanDerWaalsContact O-N 3.12Å; A475-E477 PolarHBondContact O-N 2.83Å; E477-K479 PolarHBondContact O-N 2.82Å; E477-K480 HydrophobicContact CB-CB 4.43Å; E477-K480 PolarHBondContact O-N 3.29Å; E477-K480 WeakPolarHBondContact OE2-CD 3.47Å; E477-K480 IonicContact OE2-NZ 2.78Å; E477-K480 PolarHBondContact OE2-NZ 2.98Å; E477-L481 PolarHBondContact O-N 2.91Å
478D96.6Very high97.5Very high4 Ų420.7 Ų20.72%0.02111%0.107CC..Hα-helixtrans-49.7-36.6-179.7-62.1-119.1000112.9P205 T206 L209 L239 P452 L482P205-D478 WeakPolarHBondContact CA-OD1 3.27Å; P205-D478 WeakPolarHBondContact CB-OD1 3.5Å; T206-D478 WeakPolarHBondContact CB-OD2 3.48Å; T206-D478 PolarHBondContact N-OD1 2.64Å; T206-D478 PolarHBondContact OG1-OD2 2.64Å; L209-D478 HydrophobicContact CD2-CB 4.21Å; L239-D478 HydrophobicContact CD2-CB 3.88Å; P452-D478 WeakPolarHBondContact CB-OD1 3.3Å; D478-L482 WeakPolarHBondContact O-CB 3.19Å; D478-L482 VanDerWaalsContact O-CG 3.25Å; D478-L482 WeakPolarHBondContact O-CG 3.45Å; D478-L482 PolarHBondContact O-N 2.75Å
479K95.4Very high97.5Very high83 Ų8322.8 Ų22.836%0.36112%0.117SC..Hα-helixtrans-61.1-51175.8-174.7170.1-178178.50112.4L259 E477 L481 L482 C483L259-K479 HydrophobicContact CD2-CB 3.43Å; L259-K479 VanDerWaalsContact CD2-CB 3.43Å; L259-K479 HydrophobicContact CD2-CD 3.98Å; L259-K479 HydrophobicContact CD2-CG 3.51Å; L259-K479 HydrophobicContact CG-CB 4.46Å; E477-K479 PolarHBondContact O-N 2.82Å; K479-L481 VanDerWaalsContact C-N 3.33Å; K479-L482 PolarHBondContact O-N 3.12Å; K479-C483 PolarHBondContact O-N 2.84Å; K479-C483 PolarHBondContact O-SG 3.09Å
480K95.4Very high97.3Very high59 Ų5927.4 Ų27.426%0.25714%0.138SC..Hα-helixtrans-65.2-41.7-178.9-174.7-173.5179.8-177.30110.3D410 E477 L482 C483 V484D410-K480 WeakPolarHBondContact OD1-CE 3.45Å; D410-K480 IonicContact OD1-NZ 3.55Å; D410-K480 PolarHBondContact OD1-NZ 3.5Å; E477-K480 HydrophobicContact CB-CB 4.43Å; E477-K480 PolarHBondContact O-N 3.29Å; E477-K480 WeakPolarHBondContact OE2-CD 3.47Å; E477-K480 IonicContact OE2-NZ 2.78Å; E477-K480 PolarHBondContact OE2-NZ 2.98Å; K480-L482 VanDerWaalsContact C-N 3.31Å; K480-L482 PolarHBondContact O-N 3.38Å; K480-C483 WeakPolarHBondContact O-CB 3.44Å; K480-C483 PolarHBondContact O-N 3.29Å; K480-V484 WeakPolarHBondContact O-CG2 3.45Å; K480-V484 PolarHBondContact O-N 3.02Å
481L97.9Very high97.1Very high1 Ų129.6 Ų29.61%0.00515%0.154CC..Hα-helixtrans-55-47.1172.8176.763.4000111.5V411 P452 V454 L471 E477 K479 V484 A485V411-L481 HydrophobicContact CG1-CD1 4.24Å; P452-L481 HydrophobicContact CB-CD2 3.78Å; P452-L481 HydrophobicContact CG-CD2 4.15Å; V454-L481 HydrophobicContact CG1-CD1 4.09Å; V454-L481 HydrophobicContact CG1-CD2 4.22Å; V454-L481 HydrophobicContact CG1-CG 3.95Å; L471-L481 HydrophobicContact CB-CD1 3.53Å; E477-L481 PolarHBondContact O-N 2.91Å; K479-L481 VanDerWaalsContact C-N 3.33Å; L481-V484 PolarHBondContact O-N 3.25Å; L481-A485 WeakPolarHBondContact O-CB 3.48Å; L481-A485 PolarHBondContact O-N 3.06Å
482L97.8Very high96.9Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-69.2-34.4179.2-71.7169.9000113L203 V232 A236 L239 L262 D478 K479 K480 A485 Q486L203-L482 HydrophobicContact CD1-CD2 4.2Å; L203-L482 HydrophobicContact CD2-CD1 3.98Å; L203-L482 HydrophobicContact CD2-CD2 4.02Å; L203-L482 HydrophobicContact CD2-CG 4.43Å; V232-L482 HydrophobicContact CG1-CB 4.23Å; V232-L482 HydrophobicContact CG1-CD2 3.78Å; V232-L482 VanDerWaalsContact CG1-O 3.28Å; V232-L482 WeakPolarHBondContact CG1-O 3.27Å; A236-L482 HydrophobicContact CB-CD1 3.99Å; L239-L482 HydrophobicContact CD2-CD1 4.14Å; L262-L482 HydrophobicContact CD1-CB 4Å; L262-L482 HydrophobicContact CD2-CB 3.92Å; D478-L482 WeakPolarHBondContact O-CB 3.19Å; D478-L482 VanDerWaalsContact O-CG 3.25Å; D478-L482 WeakPolarHBondContact O-CG 3.45Å; D478-L482 PolarHBondContact O-N 2.75Å; K479-L482 PolarHBondContact O-N 3.12Å; K480-L482 VanDerWaalsContact C-N 3.31Å; K480-L482 PolarHBondContact O-N 3.38Å; L482-A485 PolarHBondContact O-N 3.37Å; L482-Q486 WeakPolarHBondContact O-CB 3.36Å; L482-Q486 PolarHBondContact O-N 3.43Å
483C97.1Very high96.3Very high7 Ų733 Ų335%0.04719%0.187CC..Hα-helixtrans-59.8-46.1171.3-65.20000111.5P263 F266 K479 K480 Q486 W487P263-C483 VanDerWaalsContact CD-SG 3.55Å; F266-C483 HydrophobicContact CD1-CB 4.06Å; F266-C483 HydrophobicContact CD2-CB 3.58Å; F266-C483 HydrophobicContact CE1-CB 4.1Å; F266-C483 HydrophobicContact CE2-CB 3.63Å; F266-C483 HydrophobicContact CG-CB 3.79Å; F266-C483 HydrophobicContact CZ-CB 3.89Å; K479-C483 PolarHBondContact O-N 2.84Å; K479-C483 PolarHBondContact O-SG 3.09Å; K480-C483 WeakPolarHBondContact O-CB 3.44Å; K480-C483 PolarHBondContact O-N 3.29Å; C483-Q486 PolarHBondContact O-N 2.94Å; C483-W487 PolarHBondContact O-N 3.41Å; C483-W487 VanDerWaalsContact O-N 3.13Å
484V98.3Very high95.9Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-65.7-41.1177.5178.40000111F266 I271 F299 V411 L471 K480 L481 Q486 W487 V488F266-V484 HydrophobicContact CE1-CG2 3.74Å; F266-V484 HydrophobicContact CZ-CG2 4.35Å; I271-V484 HydrophobicContact CD1-CG2 4.3Å; I271-V484 HydrophobicContact CG1-CG2 4.33Å; I271-V484 HydrophobicContact CG2-CG2 4.27Å; F299-V484 HydrophobicContact CE1-CG1 3.77Å; F299-V484 HydrophobicContact CZ-CG1 3.62Å; V411-V484 HydrophobicContact CG1-CB 4.44Å; V411-V484 HydrophobicContact CG1-CG2 4.21Å; V411-V484 HydrophobicContact CG2-CG1 4.15Å; L471-V484 HydrophobicContact CD1-CG1 4.25Å; L471-V484 HydrophobicContact CD2-CG1 4.35Å; K480-V484 WeakPolarHBondContact O-CG2 3.45Å; K480-V484 PolarHBondContact O-N 3.02Å; L481-V484 PolarHBondContact O-N 3.25Å; V484-Q486 VanDerWaalsContact C-N 3.34Å; V484-Q486 PolarHBondContact O-N 3.05Å; V484-W487 WeakPolarHBondContact O-CB 3.3Å; V484-W487 PolarHBondContact O-N 2.67Å; V484-V488 PolarHBondContact O-N 2.9Å
485A98.3Very high95.4Very high0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-63.8-38.1177.300000112.8V232 V454 V456 L471 L481 L482 W487 V488 E489V232-A485 HydrophobicContact CG1-CB 3.97Å; V232-A485 HydrophobicContact CG2-CB 4.03Å; V454-A485 HydrophobicContact CG1-CB 3.62Å; V456-A485 HydrophobicContact CG2-CB 4.01Å; L471-A485 VanDerWaalsContact CD1-CA 3.43Å; L471-A485 HydrophobicContact CD1-CB 3.65Å; L481-A485 WeakPolarHBondContact O-CB 3.48Å; L481-A485 PolarHBondContact O-N 3.06Å; L482-A485 PolarHBondContact O-N 3.37Å; A485-W487 VanDerWaalsContact C-N 3.33Å; A485-V488 PolarHBondContact O-N 3.31Å; A485-E489 WeakPolarHBondContact O-CB 3.21Å; A485-E489 PolarHBondContact O-N 2.97Å
486Q97.1Very high94.3Very high19 Ų1939.5 Ų39.59%0.08922%0.222CC..Hα-helixtrans-64.2-41.5175.5-176.3179.924.600110.9V232 L262 P263 L482 C483 V484 V488 E489 Q490V232-Q486 HydrophobicContact CB-CB 4.16Å; V232-Q486 HydrophobicContact CG1-CB 3.93Å; L262-Q486 HydrophobicContact CD1-CB 4.17Å; P263-Q486 PolarHBondContact O-OE1 3.17Å; P263-Q486 VanDerWaalsContact O-OE1 3.11Å; L482-Q486 WeakPolarHBondContact O-CB 3.36Å; L482-Q486 PolarHBondContact O-N 3.43Å; C483-Q486 PolarHBondContact O-N 2.94Å; V484-Q486 VanDerWaalsContact C-N 3.34Å; V484-Q486 PolarHBondContact O-N 3.05Å; Q486-V488 VanDerWaalsContact C-N 3.32Å; Q486-V488 PolarHBondContact O-N 3.4Å; Q486-E489 WeakPolarHBondContact O-CB 3.41Å; Q486-E489 PolarHBondContact O-N 3.43Å; Q486-Q490 VanDerWaalsContact O-CG 3.31Å; Q486-Q490 WeakPolarHBondContact O-CG 3.25Å; Q486-Q490 PolarHBondContact O-N 3.19Å
487W97.8Very high93.7Very high33 Ų3337.8 Ų37.813%0.12521%0.213CC..Hα-helixtrans-60.4-41.8174.1179.889.6000111.9F266 V268 L298 F299 A302 C483 V484 A485 Q490 S491F266-W487 HydrophobicContact CD1-CB 4.48Å; V268-W487 HydrophobicContact CB-CD2 4.42Å; V268-W487 HydrophobicContact CG1-CB 4.02Å; V268-W487 HydrophobicContact CG1-CD2 3.5Å; V268-W487 VanDerWaalsContact CG1-CD2 3.5Å; V268-W487 HydrophobicContact CG1-CE3 3.97Å; V268-W487 HydrophobicContact CG1-CG 3.48Å; V268-W487 VanDerWaalsContact CG1-CG 3.48Å; V268-W487 HydrophobicContact CG2-CD2 4.09Å; V268-W487 HydrophobicContact CG2-CH2 4.33Å; V268-W487 HydrophobicContact CG2-CZ2 3.79Å; L298-W487 HydrophobicContact CB-CH2 4.13Å; F299-W487 AromaticContact CD1-CE3 3.95Å; F299-W487 HydrophobicContact CD1-CE3 3.95Å; F299-W487 HydrophobicContact CD1-CH2 4.03Å; F299-W487 AromaticContact CD1-CZ3 3.43Å; F299-W487 HydrophobicContact CD1-CZ3 3.43Å; F299-W487 VanDerWaalsContact CD1-CZ3 3.43Å; F299-W487 HydrophobicContact CD2-CZ3 4.11Å; F299-W487 HydrophobicContact CE1-CD2 4.5Å; F299-W487 AromaticContact CE1-CE3 3.47Å; F299-W487 HydrophobicContact CE1-CE3 3.47Å; F299-W487 VanDerWaalsContact CE1-CE3 3.47Å; F299-W487 HydrophobicContact CE1-CH2 4.38Å; F299-W487 AromaticContact CE1-CZ3 3.4Å; F299-W487 HydrophobicContact CE1-CZ3 3.4Å; F299-W487 HydrophobicContact CE2-CZ3 4.08Å; F299-W487 HydrophobicContact CG-CH2 4.3Å; F299-W487 AromaticContact CG-CZ3 3.81Å; F299-W487 HydrophobicContact CG-CZ3 3.81Å; F299-W487 AromaticContact CZ-CE3 3.84Å; F299-W487 HydrophobicContact CZ-CE3 3.84Å; F299-W487 AromaticContact CZ-CZ3 3.74Å; F299-W487 HydrophobicContact CZ-CZ3 3.74Å; A302-W487 HydrophobicContact CB-CH2 3.94Å; A302-W487 HydrophobicContact CB-CZ2 3.39Å; C483-W487 PolarHBondContact O-N 3.41Å; C483-W487 VanDerWaalsContact O-N 3.13Å; V484-W487 WeakPolarHBondContact O-CB 3.3Å; V484-W487 PolarHBondContact O-N 2.67Å; A485-W487 VanDerWaalsContact C-N 3.33Å; W487-Q490 PolarHBondContact O-N 3.35Å; W487-S491 WeakPolarHBondContact CZ2-OG 3.37Å; W487-S491 VanDerWaalsContact O-CB 3.29Å; W487-S491 WeakPolarHBondContact O-CB 3.29Å; W487-S491 PolarHBondContact O-N 2.69Å; W487-S491 PolarHBondContact O-OG 2.92Å
488V98.2Very high92.2Very high3 Ų337.6 Ų37.62%0.01822%0.221CC..Hα-helixtrans-62.3-49.8174.41730000110.9V295 F299 V456 T458 L471 V484 A485 Q486 Q490 S491 V492V295-V488 HydrophobicContact CG1-CG1 4.09Å; V295-V488 HydrophobicContact CG1-CG2 4.45Å; F299-V488 HydrophobicContact CE1-CG2 4.36Å; F299-V488 HydrophobicContact CE2-CG2 3.63Å; F299-V488 HydrophobicContact CZ-CG2 3.35Å; V456-V488 HydrophobicContact CG1-CG1 4.42Å; T458-V488 HydrophobicContact CG2-CG1 4.3Å; L471-V488 HydrophobicContact CD1-CG2 4.11Å; V484-V488 PolarHBondContact O-N 2.9Å; A485-V488 PolarHBondContact O-N 3.31Å; Q486-V488 VanDerWaalsContact C-N 3.32Å; Q486-V488 PolarHBondContact O-N 3.4Å; V488-Q490 VanDerWaalsContact C-N 3.31Å; V488-Q490 PolarHBondContact O-N 3.35Å; V488-S491 PolarHBondContact O-N 3.34Å; V488-S491 VanDerWaalsContact O-N 3.09Å; V488-V492 HydrophobicContact CG1-CG1 4.19Å; V488-V492 WeakPolarHBondContact O-CG1 3.3Å; V488-V492 VanDerWaalsContact O-CG2 3.3Å; V488-V492 WeakPolarHBondContact O-CG2 3.32Å; V488-V492 PolarHBondContact O-N 2.94Å
489E96.9Very high90.2Very high44 Ų4439.2 Ų39.221%0.20623%0.229CC..Hα-helixtrans-52.7-47.4178170.9177.1-95.300112V201 S231 V232 V456 A485 Q486 G493V201-E489 WeakPolarHBondContact CG2-OE1 3.27Å; S231-E489 WeakPolarHBondContact CA-OE1 3.24Å; V232-E489 HydrophobicContact CG2-CB 4.11Å; V232-E489 PolarHBondContact N-OE1 2.82Å; V232-E489 PolarHBondContact N-OE2 3.1Å; V456-E489 HydrophobicContact CG1-CB 4.11Å; A485-E489 WeakPolarHBondContact O-CB 3.21Å; A485-E489 PolarHBondContact O-N 2.97Å; Q486-E489 WeakPolarHBondContact O-CB 3.41Å; Q486-E489 PolarHBondContact O-N 3.43Å; E489-G493 PolarHBondContact O-N 3.43Å
490Q95Very high87.7Confident99 Ų9937.6 Ų37.646%0.46323%0.228SC..Hα-helixtrans-66.5-38.1177.6-70.1168-18.800112.4E264 Q486 W487 V488E264-Q490 PolarHBondContact O-NE2 3.05Å; Q486-Q490 VanDerWaalsContact O-CG 3.31Å; Q486-Q490 WeakPolarHBondContact O-CG 3.25Å; Q486-Q490 PolarHBondContact O-N 3.19Å; W487-Q490 PolarHBondContact O-N 3.35Å; V488-Q490 VanDerWaalsContact C-N 3.31Å; V488-Q490 PolarHBondContact O-N 3.35Å
491S96Very high85.1Confident47 Ų4739.3 Ų39.333%0.32924%0.237SC..Hα-helixtrans-74.5-30.3-176.2-61.80000113.6W487 V488W487-S491 WeakPolarHBondContact CZ2-OG 3.37Å; W487-S491 VanDerWaalsContact O-CB 3.29Å; W487-S491 WeakPolarHBondContact O-CB 3.29Å; W487-S491 PolarHBondContact O-N 2.69Å; W487-S491 PolarHBondContact O-OG 2.92Å; V488-S491 PolarHBondContact O-N 3.34Å; V488-S491 VanDerWaalsContact O-N 3.09Å
492V94.3Very high82.2Confident16 Ų1644.7 Ų44.710%0.09727%0.265CS..Hα-helixtrans-89.5-28.7-178.4-59.80000113.2V295 L298 T458 V488 F494V295-V492 HydrophobicContact CG2-CG1 4.01Å; L298-V492 HydrophobicContact CD1-CG1 4.19Å; T458-V492 HydrophobicContact CG2-CG1 4.42Å; V488-V492 HydrophobicContact CG1-CG1 4.19Å; V488-V492 WeakPolarHBondContact O-CG1 3.3Å; V488-V492 VanDerWaalsContact O-CG2 3.3Å; V488-V492 WeakPolarHBondContact O-CG2 3.32Å; V488-V492 PolarHBondContact O-N 2.94Å; V492-F494 HydrophobicContact CG2-CB 4.46Å
493G84.9Confident79Confident59 Ų5948.9 Ų48.961%0.60829%0.291SS*.THydrogen-bonded Turntrans59.646.9177.100000113.4E489E489-G493 PolarHBondContact O-N 3.43Å
494F91.8Very high75.8Confident42 Ų4256.5 Ų56.518%0.18433%0.326CS..PPolyproline II helixtrans-58.9132.9-176.4-178.7-99.8000112.1W142 P457 G459 L460 P466 V492W142-F494 HydrophobicContact CH2-CE1 4.28Å; W142-F494 AromaticContact CH2-CZ 3.9Å; W142-F494 HydrophobicContact CH2-CZ 3.9Å; W142-F494 AromaticContact CZ2-CE1 3.77Å; W142-F494 HydrophobicContact CZ2-CE1 3.77Å; W142-F494 AromaticContact CZ2-CZ 3.57Å; W142-F494 HydrophobicContact CZ2-CZ 3.57Å; P457-F494 HydrophobicContact CB-CB 4.39Å; P457-F494 HydrophobicContact CB-CD1 3.62Å; P457-F494 HydrophobicContact CB-CD2 3.78Å; P457-F494 HydrophobicContact CB-CE1 3.71Å; P457-F494 HydrophobicContact CB-CE2 3.89Å; P457-F494 HydrophobicContact CB-CG 3.65Å; P457-F494 HydrophobicContact CB-CZ 3.86Å; P457-F494 HydrophobicContact CG-CB 4.3Å; P457-F494 HydrophobicContact CG-CD1 3.64Å; P457-F494 HydrophobicContact CG-CE1 4.05Å; P457-F494 HydrophobicContact CG-CG 3.91Å; P457-F494 WeakPolarHBondContact O-CB 3.4Å; G459-F494 WeakPolarHBondContact O-CE2 3.42Å; L460-F494 HydrophobicContact CD2-CE2 3.72Å; L460-F494 HydrophobicContact CD2-CZ 3.95Å; L460-F494 HydrophobicContact CG-CE2 4.31Å; P466-F494 HydrophobicContact CB-CE2 4.4Å; P466-F494 HydrophobicContact CB-CZ 4.05Å; P466-F494 HydrophobicContact CG-CZ 4.13Å; V492-F494 HydrophobicContact CG2-CB 4.46Å
495P86.3Confident72.5Confident59 Ų5964.6 Ų64.638%0.38336%0.364SS..PPolyproline II helixtrans-71.9144.7-175.128.3-35.5000112.5L460L460-P495 HydrophobicContact CD1-CG 3.86Å; L460-P495 HydrophobicContact CG-CG 4.17Å
496S74.6Confident69.2Low107 Ų10769.2 Ų69.275%0.74840%0.396SS*.PPolyproline II helixtrans-67.5146.8166.6-66.20000110.9S498S496-S498 PolarHBondContact O-N 3.45Å
497I82.6Confident66Low34 Ų3478.6 Ų78.617%0.17443%0.431CS..PPolyproline II helixtrans-60.2121.3174-163.3171.4000109.9P141 W142 A145 A175P141-I497 HydrophobicContact CB-CD1 3.64Å; W142-I497 HydrophobicContact CD2-CD1 4.1Å; W142-I497 HydrophobicContact CD2-CG1 4.21Å; W142-I497 HydrophobicContact CE3-CG1 4.44Å; W142-I497 HydrophobicContact CG-CD1 4.05Å; W142-I497 HydrophobicContact CH2-CB 4.48Å; W142-I497 HydrophobicContact CZ2-CB 4.11Å; W142-I497 HydrophobicContact CZ2-CG1 4.41Å; A145-I497 HydrophobicContact CB-CD1 4.25Å; A145-I497 HydrophobicContact CB-CG1 3.88Å; A175-I497 WeakPolarHBondContact O-CG2 3.4Å
498S63.6Low62.9Low74 Ų7486.3 Ų86.352%0.51747%0.465SS..  trans-102.7110.9174490000109A146 S496A146-S498 PolarHBondContact N-O 2.67Å; S496-S498 PolarHBondContact O-N 3.45Å
499D55.4Low59.7Low37 Ų3792.4 Ų92.420%0.19850%0.498CS..BIsolated β-bridgetrans-66.2137.6176-62.6-27.5000109.9R30 E501R30-D499 IonicContact CZ-OD2 3.58Å; R30-D499 IonicContact NH1-OD2 2.7Å; R30-D499 PolarHBondContact NH1-OD2 3.11Å; R30-D499 IonicContact NH2-OD1 3.48Å; R30-D499 PolarHBondContact NH2-OD1 2.67Å; R30-D499 IonicContact NH2-OD2 2.73Å; R30-D499 PolarHBondContact NH2-OD2 3.17Å; D499-E501 HydrophobicContact CB-CB 4.46Å; D499-E501 PolarHBondContact O-N 2.64Å; D499-E501 VanDerWaalsContact O-N 3.14Å
500C42.4Very low56.5Low49 Ų4997.2 Ų97.233%0.33153%0.532SS..THydrogen-bonded Turntrans-56.7-24.6167.9-84.20000113.1A146 N502 T503A146-C500 WeakPolarHBondContact CA-SG 3.26Å; A146-C500 VanDerWaalsContact CB-SG 3.54Å; C500-N502 VanDerWaalsContact C-N 3.26Å; C500-N502 PolarHBondContact O-N 3.47Å; C500-T503 PolarHBondContact O-N 2.96Å; C500-T503 PolarHBondContact O-OG1 3.39Å
501E40.9Very low53.6Low96 Ų9695.1 Ų95.145%0.44954%0.538SS..THydrogen-bonded Turntrans-66.2-24.7-172-66.8-177.5178.100113.5R36 D499 T503R36-E501 IonicContact CZ-OE1 3.58Å; R36-E501 IonicContact NH2-OE1 2.82Å; R36-E501 PolarHBondContact NH2-OE1 3.29Å; D499-E501 HydrophobicContact CB-CB 4.46Å; D499-E501 PolarHBondContact O-N 2.64Å; D499-E501 VanDerWaalsContact O-N 3.14Å; E501-T503 VanDerWaalsContact C-N 3.27Å; E501-T503 PolarHBondContact O-N 3.2Å
502N36.1Very low50.7Low113 Ų11397.3 Ų97.360%0.60456%0.558SS**Hα-helixtrans-74.8-10.9179.2-81.5-11.1000114.3C500C500-N502 VanDerWaalsContact C-N 3.26Å; C500-N502 PolarHBondContact O-N 3.47Å
503T32.1Very low47.7Very low88 Ų88103.3 Ų103.354%0.5460%0.596SS.*Hα-helixtrans-84.8-9179.950.20000114.1C500 E501C500-T503 PolarHBondContact O-N 2.96Å; C500-T503 PolarHBondContact O-OG1 3.39Å; E501-T503 VanDerWaalsContact C-N 3.27Å; E501-T503 PolarHBondContact O-N 3.2Å
504Q28.8Very low45.1Very low168 Ų168111.7 Ų111.779%0.78561%0.609SS**Hα-helixtrans-88.9-25.7174.6-73.9-169.9-6.500113.8
505E30.6Very low42.1Very low169 Ų169119.9 Ų119.979%0.7964%0.638SS**Hα-helixtrans-78-22.7176.2-80.8-174.3162.900113.2R507E505-R507 PolarHBondContact O-N 3.16Å
506S28.9Very low39.4Very low97 Ų97125.9 Ų125.968%0.67866%0.662SS**THydrogen-bonded Turntrans-87.84.9178.971.90000114.8
507R29.9Very low37.4Very low217 Ų217129.2 Ų129.282%0.81967%0.665SS**THydrogen-bonded Turntrans-111.123.1179.8-77.1-170.8177.8-174.51.6114.3E505 D509E505-R507 PolarHBondContact O-N 3.16Å; R507-D509 PolarHBondContact O-N 2.85Å
508K30.8Very low35.1Very low195 Ų195133.7 Ų133.785%0.84869%0.694SS**SBendtrans-9083.7164.5-75-171.9178179.90110.7
509D31.4Very low33.6Very low131 Ų131136.1 Ų136.170%0.70171%0.711SS**  trans47.195.3140.5-1422.2000119.5R507 G511R507-D509 PolarHBondContact O-N 2.85Å; D509-G511 VanDerWaalsContact C-N 3.33Å; D509-G511 PolarHBondContact O-N 3.41Å
510P31.3Very low32.6Very low144 Ų144138.9 Ų138.994%0.93574%0.739SS**SBendtrans-90.867.8162.935.6-27000109.2
511G33.8Very low32.2Very low56 Ų56147.1 Ų147.158%0.57779%0.788SS**  trans-15023.9-161.700000117.6D509D509-G511 VanDerWaalsContact C-N 3.33Å; D509-G511 PolarHBondContact O-N 3.41Å
512A35.4Very low31.8Very low92 Ų92149.7 Ų149.776%0.7681%0.805SS**  trans-147.573.9175.100000113.3
513T30.2Very low31.6Very low143 Ų143151.6 Ų151.688%0.87782%0.815SS**  trans-169.2102.3147.718.30000112.4
514R29.6Very low31.5Very low234 Ų234155.2 Ų155.288%0.88383%0.83SS**  trans168.9101.7139.1-100.3179.1175.2-165.9-0.7108.5
515R29.9Very low31.7Very low214 Ų214154.4 Ų154.481%0.80883%0.833SS**  77.7106.199.2-87-167.4179.9-168.2-0.5113.4
516E29Very low31.8Very low186 Ų186153.5 Ų153.587%0.86984%0.836SS**  trans-128.9109.3137-78.8-171.1160.100108.5
517Q32.7Very low32Very low177 Ų177157.3 Ų157.383%0.82785%0.846SS**  trans-91.6114.2154.7-86.4178.7-35.900105.7
518T34.9Very low32.1Very low127 Ų127153 Ų15378%0.77985%0.848SS**  trans-123.1114.7158.233.40000107.4
519S32.1Very low32.2Very low125 Ų125149.8 Ų149.887%0.87485%0.848SS**  trans-71.6128170.146.20000110.6
520A34.5Very low32.3Very low95 Ų95151.3 Ų151.379%0.78586%0.861SS**  trans-159.2125.2146.200000110.3
521V34.3Very low32.4Very low223 Ų223152 Ų152100%1.35285%0.854SS**  trans820-179.4-1600000116.4

Retrieved 521 of 521 residues in 2326.8 ms (Link to these results)

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