A0A087XC00_POEFO Loading...

Ubiquitin-conjugating enzyme E2 H

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. E2 ubiquitin conjugating enzyme that transfers ubiquitin to MAEA, a core component of the CTLH E3 ubiquitin-protein ligase complex. In vitro catalyzes 'Lys-11'- and 'Lys-48'-linked polyubiquitination. Capable, in vitro, to ubiquitinate histone H2A.

AlphaFold DB (A0A3B3W1L3), UniProt , Accession A0A087XC00, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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
1M57.4Low83.8Confident243 Ų24396 Ų96100%1.19753%0.533SS*.  0119.40-65.5179.7-176.700107.2
2S68.6Low84.7Confident125 Ų12591.9 Ų91.987%0.87451%0.509SS*.PPolyproline II helixtrans-69.7136.5-179.5-74.80000110.7
3S73Confident85.5Confident97 Ų9790.2 Ų90.268%0.67850%0.503SS*.PPolyproline II helixtrans-57.1138.4173.3-680000110.9
4P81.3Confident86.3Confident60 Ų6083.7 Ų83.739%0.3947%0.467SS..PPolyproline II helixtrans-62.2141.5177.821.7-29.4000110.5K8 R9P4-K8 HydrophobicContact CB-CB 4.43Å; P4-K8 HydrophobicContact CB-CD 4.07Å; P4-K8 HydrophobicContact CB-CG 4.44Å; P4-R9 HydrophobicContact CB-CG 4.08Å; P4-R9 HydrophobicContact CG-CG 3.9Å; P4-R9 PolarHBondContact O-NE 3.2Å; P4-R9 VanDerWaalsContact O-NE 3.1Å
5S89Confident87Confident68 Ų6878.1 Ų78.148%0.47644%0.436SS..PPolyproline II helixtrans-59.7154.3178.970.30000110.9G7 K8 R9S5-G7 PolarHBondContact O-N 3.32Å; S5-K8 PolarHBondContact O-N 3.13Å; S5-K8 VanDerWaalsContact O-N 3.09Å; S5-K8 WeakPolarHBondContact OG-CB 3.38Å; S5-K8 PolarHBondContact OG-N 2.89Å; S5-R9 WeakPolarHBondContact O-CG 3.18Å; S5-R9 PolarHBondContact O-N 3.36Å
6P89Confident87.5Confident112 Ų11277.1 Ų77.173%0.72743%0.432SS*.Hα-helixtrans-54.9-39.8177.2-26.334.6000113R9 R10P6-R9 PolarHBondContact O-N 2.68Å; P6-R10 WeakPolarHBondContact O-CB 3.39Å; P6-R10 PolarHBondContact O-N 2.71Å
7G88.7Confident88Confident17 Ų1778.3 Ų78.318%0.17543%0.431CS..Hα-helixtrans-63.6-42.617600000112.8S5 R10 M11 Y61S5-G7 PolarHBondContact O-N 3.32Å; G7-R10 PolarHBondContact O-N 3.34Å; G7-M11 PolarHBondContact O-N 2.79Å; G7-Y61 WeakPolarHBondContact CA-O 3.36Å
8K91.2Very high88.5Confident110 Ų11073.9 Ų73.948%0.47841%0.407SS..Hα-helixtrans-64-44.6175.7-171.7177.9178.770.70111.8P4 S5 R10 M11 D12P4-K8 HydrophobicContact CB-CB 4.43Å; P4-K8 HydrophobicContact CB-CD 4.07Å; P4-K8 HydrophobicContact CB-CG 4.44Å; S5-K8 PolarHBondContact O-N 3.13Å; S5-K8 VanDerWaalsContact O-N 3.09Å; S5-K8 WeakPolarHBondContact OG-CB 3.38Å; S5-K8 PolarHBondContact OG-N 2.89Å; K8-R10 PolarHBondContact O-N 3.44Å; K8-M11 WeakPolarHBondContact O-CB 3.15Å; K8-M11 PolarHBondContact O-N 3.23Å; K8-D12 PolarHBondContact O-N 3.17Å
9R93.3Very high88.8Confident132 Ų13274.2 Ų74.250%0.49841%0.407SS..Hα-helixtrans-58.8-39.7175.3-66.9179-173.6-154-7.8111.8P4 S5 P6 T13P4-R9 HydrophobicContact CB-CG 4.08Å; P4-R9 HydrophobicContact CG-CG 3.9Å; P4-R9 PolarHBondContact O-NE 3.2Å; P4-R9 VanDerWaalsContact O-NE 3.1Å; S5-R9 WeakPolarHBondContact O-CG 3.18Å; S5-R9 PolarHBondContact O-N 3.36Å; P6-R9 PolarHBondContact O-N 2.68Å; R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.16Å; R9-T13 PolarHBondContact O-OG1 2.6Å
10R94.9Very high89.1Confident74 Ų7478.2 Ų78.228%0.27942%0.423SS..Hα-helixtrans-67.4-44.9177.6178.356.9-167-161.215.5111.6P6 G7 K8 T13 D14 Y61 P62P6-R10 WeakPolarHBondContact O-CB 3.39Å; P6-R10 PolarHBondContact O-N 2.71Å; G7-R10 PolarHBondContact O-N 3.34Å; K8-R10 PolarHBondContact O-N 3.44Å; R10-T13 PolarHBondContact O-N 2.91Å; R10-D14 WeakPolarHBondContact CD-OD1 3.47Å; R10-D14 IonicContact CZ-OD1 3.47Å; R10-D14 IonicContact CZ-OD2 3.3Å; R10-D14 IonicContact NE-OD1 3.67Å; R10-D14 PolarHBondContact NE-OD1 2.7Å; R10-D14 IonicContact NE-OD2 2.95Å; R10-D14 PolarHBondContact NE-OD2 3.16Å; R10-D14 IonicContact NH1-OD1 3.31Å; R10-D14 IonicContact NH2-OD1 2.85Å; R10-D14 PolarHBondContact NH2-OD1 2.94Å; R10-D14 IonicContact NH2-OD2 3.64Å; R10-D14 PolarHBondContact NH2-OD2 3.38Å; R10-D14 WeakPolarHBondContact O-CB 3.45Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 3.25Å; R10-Y61 HydrophobicContact CG-CE1 4.2Å; R10-P62 HydrophobicContact CG-CG 4.07Å
11M95.6Very high89.3Confident18 Ų1876.3 Ų76.39%0.08942%0.415CS..Hα-helixtrans-54.4-54.2173.3-175.5-172.9-68.100111.3G7 K8 T13 D14 V15 N32 L57 Y61G7-M11 PolarHBondContact O-N 2.79Å; K8-M11 WeakPolarHBondContact O-CB 3.15Å; K8-M11 PolarHBondContact O-N 3.23Å; M11-T13 VanDerWaalsContact C-N 3.29Å; M11-T13 PolarHBondContact O-N 3.01Å; M11-D14 PolarHBondContact O-N 3.19Å; M11-V15 HydrophobicContact CG-CG2 4.44Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.47Å; M11-V15 PolarHBondContact O-N 3.02Å; M11-N32 HydrophobicContact CE-CB 4.35Å; M11-N32 HydrophobicContact SD-CB 3.82Å; M11-L57 HydrophobicContact CE-CB 3.91Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.4Å; M11-L57 HydrophobicContact SD-CD1 4.36Å; M11-Y61 HydrophobicContact CB-CD1 3.84Å; M11-Y61 HydrophobicContact CB-CE1 4.25Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.35Å
12D94.6Very high91.1Very high47 Ų4772.2 Ų72.225%0.25139%0.391SS..Hα-helixtrans-58.5-43.3-178.8-60.6-16.3000110.9K8 V16 L31K8-D12 PolarHBondContact O-N 3.17Å; D12-V16 WeakPolarHBondContact O-CB 3.36Å; D12-V16 WeakPolarHBondContact O-CG2 3.5Å; D12-V16 PolarHBondContact O-N 3.47Å; D12-L31 HydrophobicContact CB-CD1 4.35Å
13T95.5Very high92.3Very high69 Ų6967.7 Ų67.742%0.42336%0.356SS..Hα-helixtrans-64.5-43.1178.8-55.50000112.3R9 R10 M11 K17R9-T13 WeakPolarHBondContact O-CB 3.27Å; R9-T13 PolarHBondContact O-N 3.16Å; R9-T13 PolarHBondContact O-OG1 2.6Å; R10-T13 PolarHBondContact O-N 2.91Å; M11-T13 VanDerWaalsContact C-N 3.29Å; M11-T13 PolarHBondContact O-N 3.01Å; T13-K17 HydrophobicContact CG2-CD 4.36Å; T13-K17 VanDerWaalsContact O-CG 3.3Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 3Å
14D96.4Very high93.4Very high0 Ų067.8 Ų67.80%035%0.346CS..Hα-helixtrans-70.1-40.6-176.8-73.1-2.1000112.3R10 M11 K17 L18 Y61 L101R10-D14 WeakPolarHBondContact CD-OD1 3.47Å; R10-D14 IonicContact CZ-OD1 3.47Å; R10-D14 IonicContact CZ-OD2 3.3Å; R10-D14 IonicContact NE-OD1 3.67Å; R10-D14 PolarHBondContact NE-OD1 2.7Å; R10-D14 IonicContact NE-OD2 2.95Å; R10-D14 PolarHBondContact NE-OD2 3.16Å; R10-D14 IonicContact NH1-OD1 3.31Å; R10-D14 IonicContact NH2-OD1 2.85Å; R10-D14 PolarHBondContact NH2-OD1 2.94Å; R10-D14 IonicContact NH2-OD2 3.64Å; R10-D14 PolarHBondContact NH2-OD2 3.38Å; R10-D14 WeakPolarHBondContact O-CB 3.45Å; R10-D14 VanDerWaalsContact O-CG 3.25Å; R10-D14 PolarHBondContact O-N 3.25Å; M11-D14 PolarHBondContact O-N 3.19Å; D14-K17 PolarHBondContact O-N 3.26Å; D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 PolarHBondContact O-N 2.95Å; D14-Y61 PolarHBondContact OD2-OH 3Å; D14-L101 HydrophobicContact CB-CB 4.07Å; D14-L101 HydrophobicContact CB-CD2 4.02Å
15V95.9Very high94.2Very high0 Ų066.4 Ų66.40%034%0.336CS..Hα-helixtrans-69.1-41178.9179.20000110M11 K17 L18 I19 I27 L31 F34 L57 L101M11-V15 HydrophobicContact CG-CG2 4.44Å; M11-V15 VanDerWaalsContact O-CG2 3.24Å; M11-V15 WeakPolarHBondContact O-CG2 3.47Å; M11-V15 PolarHBondContact O-N 3.02Å; V15-K17 VanDerWaalsContact C-N 3.35Å; V15-K17 PolarHBondContact O-N 3.39Å; V15-L18 WeakPolarHBondContact O-CB 3.05Å; V15-L18 PolarHBondContact O-N 2.75Å; V15-L18 VanDerWaalsContact O-N 3.16Å; V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.5Å; V15-I19 PolarHBondContact O-N 2.93Å; V15-I27 HydrophobicContact CG1-CD1 4.09Å; V15-L31 HydrophobicContact CB-CB 4.44Å; V15-L31 HydrophobicContact CG1-CB 4.17Å; V15-L31 HydrophobicContact CG1-CD2 3.87Å; V15-L31 VanDerWaalsContact CG2-O 3.27Å; V15-L31 WeakPolarHBondContact CG2-O 3.49Å; V15-F34 HydrophobicContact CG1-CD1 4.3Å; V15-F34 HydrophobicContact CG1-CE1 4.41Å; V15-F34 HydrophobicContact CG2-CD1 4.46Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; V15-L57 HydrophobicContact CG2-CD1 3.63Å; V15-L101 HydrophobicContact CG2-CD2 3.99Å
16V95.7Very high94.6Very high62 Ų6267.4 Ų67.438%0.37634%0.339SS..Hα-helixtrans-60.3-44.8173.6169.60000111.1D12 L18 I19 E20D12-V16 WeakPolarHBondContact O-CB 3.36Å; D12-V16 WeakPolarHBondContact O-CG2 3.5Å; D12-V16 PolarHBondContact O-N 3.47Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-I19 VanDerWaalsContact O-N 3.16Å; V16-E20 HydrophobicContact CG1-CG 4.34Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.28Å
17K95.9Very high94.9Very high97 Ų9765 Ų6542%0.42232%0.32SS..Hα-helixtrans-59.8-38.5174.5-76.5174.5176.1-175.20112.9T13 D14 V15 E20 S21T13-K17 HydrophobicContact CG2-CD 4.36Å; T13-K17 VanDerWaalsContact O-CG 3.3Å; T13-K17 WeakPolarHBondContact O-CG 3.32Å; T13-K17 PolarHBondContact O-N 3Å; D14-K17 PolarHBondContact O-N 3.26Å; V15-K17 VanDerWaalsContact C-N 3.35Å; V15-K17 PolarHBondContact O-N 3.39Å; K17-E20 PolarHBondContact O-N 3.44Å; K17-S21 PolarHBondContact O-N 3.31Å; K17-S21 VanDerWaalsContact O-N 3.13Å
18L96.2Very high95.2Very high0 Ų067.8 Ų67.80%033%0.33CS..Hα-helixtrans-66.2-40.6176.3-175.866.8000111.2D14 V15 V16 S21 H23 V25 F34 V36 L101 T102 F105D14-L18 WeakPolarHBondContact O-CB 3.28Å; D14-L18 PolarHBondContact O-N 2.95Å; V15-L18 WeakPolarHBondContact O-CB 3.05Å; V15-L18 PolarHBondContact O-N 2.75Å; V15-L18 VanDerWaalsContact O-N 3.16Å; V16-L18 VanDerWaalsContact C-N 3.28Å; V16-L18 PolarHBondContact O-N 3.05Å; L18-S21 WeakPolarHBondContact O-CB 3.43Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-OG 3.06Å; L18-H23 HydrophobicContact CD1-CB 4.4Å; L18-V25 HydrophobicContact CD2-CG2 4.26Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; L18-F34 HydrophobicContact CD2-CD2 4.08Å; L18-F34 HydrophobicContact CD2-CE2 3.41Å; L18-F34 VanDerWaalsContact CD2-CE2 3.41Å; L18-F34 HydrophobicContact CD2-CZ 3.97Å; L18-V36 HydrophobicContact CD2-CG2 4.14Å; L18-L101 HydrophobicContact CB-CD2 4.33Å; L18-L101 HydrophobicContact CD2-CD2 3.95Å; L18-L101 HydrophobicContact CD2-CG 4.21Å; L18-T102 HydrophobicContact CD1-CG2 3.88Å; L18-F105 HydrophobicContact CD1-CD2 3.94Å; L18-F105 HydrophobicContact CD1-CE2 4.1Å; L18-F105 HydrophobicContact CD2-CE2 3.98Å
19I95.2Very high95.1Very high78 Ų7867.1 Ų67.140%0.434%0.339SS..Hα-helixtrans-64.6-39.9175.1-65.5161.6000111.4V15 V16 S21 V25 I27V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.5Å; V15-I19 PolarHBondContact O-N 2.93Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-I19 VanDerWaalsContact O-N 3.16Å; I19-S21 PolarHBondContact O-N 3.25Å; I19-V25 HydrophobicContact CG1-CB 4.18Å; I19-V25 HydrophobicContact CG1-CG1 4.09Å; I19-V25 HydrophobicContact CG1-CG2 4.48Å; I19-I27 HydrophobicContact CD1-CD1 4.1Å; I19-I27 HydrophobicContact CD1-CG1 4.34Å
20E94.2Very high95Very high155 Ų15561.8 Ų61.872%0.72433%0.325SS*.THydrogen-bonded Turntrans-75.3-7.1178.2-69.7178.1167.400113.3V16 K17V16-E20 HydrophobicContact CG1-CG 4.34Å; V16-E20 WeakPolarHBondContact O-CG 3.46Å; V16-E20 PolarHBondContact O-N 3.28Å; K17-E20 PolarHBondContact O-N 3.44Å
21S94.4Very high94.9Very high38 Ų3861 Ų6127%0.26633%0.327SS..SBendtrans-79.8-175.8178.382.60000112.1K17 L18 I19 H23K17-S21 PolarHBondContact O-N 3.31Å; K17-S21 VanDerWaalsContact O-N 3.13Å; L18-S21 WeakPolarHBondContact O-CB 3.43Å; L18-S21 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-OG 3.06Å; I19-S21 PolarHBondContact O-N 3.25Å; S21-H23 PolarHBondContact O-N 3.06Å; S21-H23 WeakPolarHBondContact OG-CB 3.3Å; S21-H23 PolarHBondContact OG-CD2 3.27Å; S21-H23 PolarHBondContact OG-N 3.12Å
22K93.7Very high94.9Very high158 Ų15863.4 Ų63.469%0.68734%0.34SS*.SBendtrans-72.3-7.8174.268.8-173.4176.4-153.80114E106K22-E106 WeakPolarHBondContact CE-OE1 3.19Å; K22-E106 IonicContact NZ-OE1 2.84Å; K22-E106 PolarHBondContact NZ-OE1 3.11Å
23H95.1Very high95Very high29 Ų2962.6 Ų62.613%0.13433%0.334CS..SBendtrans-81.7138.7-174.5-63.5-67000111.3L18 S21 V25 V36 E106L18-H23 HydrophobicContact CD1-CB 4.4Å; S21-H23 PolarHBondContact O-N 3.06Å; S21-H23 WeakPolarHBondContact OG-CB 3.3Å; S21-H23 PolarHBondContact OG-CD2 3.27Å; S21-H23 PolarHBondContact OG-N 3.12Å; H23-V25 HydrophobicContact CB-CG2 4.43Å; H23-V25 PolarHBondContact O-N 2.98Å; H23-V36 HydrophobicContact CB-CG1 3.88Å; H23-E106 WeakPolarHBondContact NE2-CG 3.42Å; H23-E106 IonicContact NE2-OE1 2.88Å
24E96.3Very high95.1Very high99 Ų9959.3 Ų59.346%0.46331%0.314SS..  trans-81.9100.5176.8-61.9167.3-111.300109.1V36 K37 Y39E24-V36 WeakPolarHBondContact O-CA 3.49Å; E24-K37 HydrophobicContact CB-CB 3.91Å; E24-K37 PolarHBondContact O-N 3.29Å; E24-K37 WeakPolarHBondContact OE2-CD 3.46Å; E24-Y39 PolarHBondContact OE1-OH 2.95Å
25V97.1Very high95.2Very high32 Ų3259.9 Ų59.919%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-103.4127.9-176.4-172.10000110.8L18 I19 H23 I27 F34 V35 V36L18-V25 HydrophobicContact CD2-CG2 4.26Å; L18-V25 HydrophobicContact CG-CG2 3.83Å; I19-V25 HydrophobicContact CG1-CB 4.18Å; I19-V25 HydrophobicContact CG1-CG1 4.09Å; I19-V25 HydrophobicContact CG1-CG2 4.48Å; H23-V25 HydrophobicContact CB-CG2 4.43Å; H23-V25 PolarHBondContact O-N 2.98Å; V25-I27 HydrophobicContact CG1-CD1 4Å; V25-F34 HydrophobicContact CG1-CB 4.11Å; V25-F34 HydrophobicContact CG1-CD2 4.12Å; V25-F34 HydrophobicContact CG1-CG 4.33Å; V25-V35 CarbonylContact C-O 3.29Å; V25-V35 WeakPolarHBondContact CA-O 3.3Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.18Å
26T96.8Very high95.3Very high88 Ų8859.9 Ų59.954%0.5432%0.318SS..EExtended strand (participates in β ladder)trans-112.6114.5170.7-56.80000109.2F34 V35T26-F34 CarbonylContact O-C 3.54Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.38Å; T26-V35 PolarHBondContact N-O 3.14Å; T26-V35 PolarHBondContact O-N 2.83Å
27I96.1Very high95.4Very high62 Ų6258.9 Ų58.932%0.31831%0.309SS..EExtended strand (participates in β ladder)trans-74.8136174.8-57.8-54.8000109.5V15 I19 V25 L31 F34V15-I27 HydrophobicContact CG1-CD1 4.09Å; I19-I27 HydrophobicContact CD1-CD1 4.1Å; I19-I27 HydrophobicContact CD1-CG1 4.34Å; V25-I27 HydrophobicContact CG1-CD1 4Å; I27-L31 HydrophobicContact CD1-CD2 4.22Å; I27-L31 HydrophobicContact CG1-CD2 4.46Å; I27-F34 HydrophobicContact CD1-CB 3.67Å; I27-F34 HydrophobicContact CD1-CG 4.36Å
28L94.2Very high95.5Very high76 Ų7654.8 Ų54.840%0.39829%0.291SS..EExtended strand (participates in β ladder)trans-94.8-111.5176.5-60.6-177.9000110.3E33 V35L28-E33 HydrophobicContact CB-CB 4.47Å; L28-E33 HydrophobicContact CB-CG 3.93Å; L28-E33 WeakPolarHBondContact CB-O 3.39Å; L28-E33 HydrophobicContact CD1-CG 3.77Å; L28-E33 HydrophobicContact CG-CG 4.32Å; L28-E33 PolarHBondContact N-O 3.01Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.12Å; L28-V35 HydrophobicContact CG-CG2 4.05Å
29S88.9Confident95.6Very high95 Ų9560.1 Ų60.166%0.66431%0.312SS*.EExtended strand (participates in β ladder)trans-75-24.3-177.967.40000113.5E33S29-E33 WeakPolarHBondContact CB-OE2 3.49Å; S29-E33 PolarHBondContact OG-OE2 3.43Å
30G91.9Very high95.7Very high20 Ų2056.9 Ų56.921%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-176.6178.6-179.200000112.5N32 E33G30-N32 PolarHBondContact O-N 3.08Å; G30-E33 CarbonylContact O-C 3.53Å; G30-E33 PolarHBondContact O-N 3.49Å
31L92.7Very high95.9Very high59 Ų5950.6 Ų50.631%0.30927%0.27SS..THydrogen-bonded Turntrans-62.8-16.4-179.2-61.5-178.7000113.6D12 V15 I27 E33 F34D12-L31 HydrophobicContact CB-CD1 4.35Å; V15-L31 HydrophobicContact CB-CB 4.44Å; V15-L31 HydrophobicContact CG1-CB 4.17Å; V15-L31 HydrophobicContact CG1-CD2 3.87Å; V15-L31 VanDerWaalsContact CG2-O 3.27Å; V15-L31 WeakPolarHBondContact CG2-O 3.49Å; I27-L31 HydrophobicContact CD1-CD2 4.22Å; I27-L31 HydrophobicContact CG1-CD2 4.46Å; L31-E33 VanDerWaalsContact C-N 3.31Å; L31-F34 WeakPolarHBondContact O-CD1 3.35Å
32N95.4Very high96Very high67 Ų6756.9 Ų56.936%0.35830%0.295SS..THydrogen-bonded Turntrans-82.4-6.2174.665.5-49.8000113.5M11 G30 D56 L57M11-N32 HydrophobicContact CE-CB 4.35Å; M11-N32 HydrophobicContact SD-CB 3.82Å; G30-N32 PolarHBondContact O-N 3.08Å; N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.36Å; N32-L57 HydrophobicContact CB-CB 4.26Å; N32-L57 PolarHBondContact O-N 3.29Å
33E97.3Very high96.1Very high30 Ų3053 Ų5314%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-142.6114.1-178.6-177.6-172-173.100109.9L28 S29 G30 L31 R54 V55 D56L28-E33 HydrophobicContact CB-CB 4.47Å; L28-E33 HydrophobicContact CB-CG 3.93Å; L28-E33 WeakPolarHBondContact CB-O 3.39Å; L28-E33 HydrophobicContact CD1-CG 3.77Å; L28-E33 HydrophobicContact CG-CG 4.32Å; L28-E33 PolarHBondContact N-O 3.01Å; S29-E33 WeakPolarHBondContact CB-OE2 3.49Å; S29-E33 PolarHBondContact OG-OE2 3.43Å; G30-E33 CarbonylContact O-C 3.53Å; G30-E33 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact C-N 3.31Å; E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 2.77Å; E33-R54 IonicContact OE1-NH1 3.67Å; E33-R54 PolarHBondContact OE1-NH1 3.03Å; E33-R54 IonicContact OE1-NH2 3.67Å; E33-R54 PolarHBondContact OE1-NH2 2.56Å; E33-V55 WeakPolarHBondContact CA-O 3.46Å; E33-D56 WeakPolarHBondContact CG-OD1 3.49Å
34F97.7Very high96.2Very high0 Ų052.6 Ų52.60%030%0.3CS..EExtended strand (participates in β ladder)trans-149.5160.4-176.653.6-91000111.9V15 L18 V25 T26 I27 L31 V36 R54 V55 L57 L101V15-F34 HydrophobicContact CG1-CD1 4.3Å; V15-F34 HydrophobicContact CG1-CE1 4.41Å; V15-F34 HydrophobicContact CG2-CD1 4.46Å; V15-F34 HydrophobicContact CG2-CE1 3.87Å; L18-F34 HydrophobicContact CD2-CD2 4.08Å; L18-F34 HydrophobicContact CD2-CE2 3.41Å; L18-F34 VanDerWaalsContact CD2-CE2 3.41Å; L18-F34 HydrophobicContact CD2-CZ 3.97Å; V25-F34 HydrophobicContact CG1-CB 4.11Å; V25-F34 HydrophobicContact CG1-CD2 4.12Å; V25-F34 HydrophobicContact CG1-CG 4.33Å; T26-F34 CarbonylContact O-C 3.54Å; T26-F34 WeakPolarHBondContact O-CA 3.33Å; T26-F34 WeakPolarHBondContact O-CB 3.38Å; I27-F34 HydrophobicContact CD1-CB 3.67Å; I27-F34 HydrophobicContact CD1-CG 4.36Å; L31-F34 WeakPolarHBondContact O-CD1 3.35Å; F34-V36 HydrophobicContact CD2-CG2 3.84Å; F34-V36 HydrophobicContact CE2-CG2 4.08Å; F34-R54 WeakPolarHBondContact O-CA 3.47Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.42Å; F34-V55 HydrophobicContact CE1-CG1 4.28Å; F34-V55 HydrophobicContact CE2-CB 3.55Å; F34-V55 HydrophobicContact CE2-CG1 3.92Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.72Å; F34-V55 HydrophobicContact CZ-CG1 3.58Å; F34-V55 HydrophobicContact CZ-CG2 4.47Å; F34-V55 PolarHBondContact N-O 2.81Å; F34-V55 PolarHBondContact O-N 2.88Å; F34-L57 HydrophobicContact CE1-CD1 3.88Å; F34-L57 HydrophobicContact CE1-CD2 4.32Å; F34-L57 HydrophobicContact CE1-CG 3.93Å; F34-L57 HydrophobicContact CZ-CD1 4.49Å; F34-L57 HydrophobicContact CZ-CD2 4.38Å; F34-L57 HydrophobicContact CZ-CG 4.47Å; F34-L101 HydrophobicContact CE1-CD2 4.47Å; F34-L101 HydrophobicContact CZ-CD1 4.44Å; F34-L101 HydrophobicContact CZ-CD2 3.84Å; F34-L101 HydrophobicContact CZ-CG 4.46Å
35V98.2Very high96.2Very high12 Ų1249.5 Ų49.57%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-115.6137.3177.4-179.50000108.6V25 T26 L28 K52 V53 R54 M71V25-V35 CarbonylContact C-O 3.29Å; V25-V35 WeakPolarHBondContact CA-O 3.3Å; T26-V35 PolarHBondContact N-O 3.14Å; T26-V35 PolarHBondContact O-N 2.83Å; L28-V35 HydrophobicContact CD1-CG2 3.73Å; L28-V35 HydrophobicContact CD2-CG2 4.12Å; L28-V35 HydrophobicContact CG-CG2 4.05Å; V35-K52 HydrophobicContact CG1-CB 3.74Å; V35-K52 HydrophobicContact CG1-CG 4.16Å; V35-V53 CarbonylContact C-O 3.57Å; V35-V53 WeakPolarHBondContact CA-O 3.47Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; V35-M71 HydrophobicContact CB-SD 4.43Å; V35-M71 HydrophobicContact CG1-SD 3.94Å; V35-M71 HydrophobicContact CG2-SD 3.54Å; V35-M71 VanDerWaalsContact CG2-SD 3.54Å
36V98.2Very high96.3Very high0 Ų048 Ų480%028%0.279CS..EExtended strand (participates in β ladder)trans-121.3133.6176.3-175.20000109.4L18 H23 E24 V25 F34 F38 V53 F105L18-V36 HydrophobicContact CD2-CG2 4.14Å; H23-V36 HydrophobicContact CB-CG1 3.88Å; E24-V36 WeakPolarHBondContact O-CA 3.49Å; V25-V36 HydrophobicContact CG1-CG2 4.41Å; V25-V36 HydrophobicContact CG2-CG2 4.18Å; F34-V36 HydrophobicContact CD2-CG2 3.84Å; F34-V36 HydrophobicContact CE2-CG2 4.08Å; V36-F38 PolarHBondContact O-N 3.07Å; V36-V53 PolarHBondContact N-O 2.82Å; V36-V53 PolarHBondContact O-N 2.98Å; V36-F105 HydrophobicContact CB-CD1 4.25Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.48Å; V36-F105 VanDerWaalsContact CB-CZ 3.48Å; V36-F105 HydrophobicContact CG1-CD1 4.05Å; V36-F105 HydrophobicContact CG1-CD2 4.32Å; V36-F105 HydrophobicContact CG1-CE1 3.9Å; V36-F105 HydrophobicContact CG1-CE2 4.19Å; V36-F105 HydrophobicContact CG1-CG 4.25Å; V36-F105 HydrophobicContact CG1-CZ 3.96Å; V36-F105 HydrophobicContact CG2-CE1 4.03Å; V36-F105 HydrophobicContact CG2-CE2 3.67Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å
37K97.9Very high96.4Very high42 Ų4249 Ų4918%0.18328%0.277CS..EExtended strand (participates in β ladder)trans-73.3122.5170.4-162.4176178-172.50109.6E24 Y39 V50 E151E24-K37 HydrophobicContact CB-CB 3.91Å; E24-K37 PolarHBondContact O-N 3.29Å; E24-K37 WeakPolarHBondContact OE2-CD 3.46Å; K37-Y39 WeakPolarHBondContact CD-OH 3.44Å; K37-Y39 VanDerWaalsContact CE-OH 3.27Å; K37-Y39 WeakPolarHBondContact CE-OH 3.43Å; K37-Y39 HydrophobicContact CG-CE2 4.44Å; K37-Y39 PolarHBondContact NZ-OH 2.93Å; K37-V50 HydrophobicContact CD-CG1 4.22Å; K37-V50 HydrophobicContact CG-CG1 3.86Å; K37-E151 WeakPolarHBondContact CE-OE1 3.5Å; K37-E151 WeakPolarHBondContact CE-OE2 3.25Å; K37-E151 IonicContact NZ-OE1 2.81Å; K37-E151 PolarHBondContact NZ-OE1 3.28Å; K37-E151 IonicContact NZ-OE2 3.64Å; K37-E151 PolarHBondContact NZ-OE2 2.84Å
38F98.3Very high96.4Very high10 Ų1049 Ų494%0.04429%0.292CS..EExtended strand (participates in β ladder)trans-121.9128.4-174.7176.8-104.2000110.5V36 W51 V53 F70 F105 L109 P110 L113V36-F38 PolarHBondContact O-N 3.07Å; F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 3.06Å; F38-W51 PolarHBondContact O-N 2.81Å; F38-V53 HydrophobicContact CB-CG2 3.64Å; F38-V53 HydrophobicContact CD1-CG2 4.37Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; F38-F70 HydrophobicContact CD1-CE1 4.18Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; F38-L109 HydrophobicContact CD2-CD1 4.31Å; F38-L109 HydrophobicContact CE1-CB 4.43Å; F38-L109 HydrophobicContact CE2-CB 3.86Å; F38-L109 HydrophobicContact CE2-CD1 4.37Å; F38-L109 HydrophobicContact CZ-CB 3.76Å; F38-P110 HydrophobicContact CE2-CG 4.19Å; F38-P110 HydrophobicContact CZ-CG 4.37Å; F38-L113 HydrophobicContact CE1-CD2 3.78Å; F38-L113 HydrophobicContact CZ-CD2 4.3Å
39Y98.1Very high96.6Very high113 Ų11345.3 Ų45.344%0.44327%0.273SS..EExtended strand (participates in β ladder)trans-99.9135.8178.7-59.4-87.1000109.6E24 K37 V50E24-Y39 PolarHBondContact OE1-OH 2.95Å; K37-Y39 WeakPolarHBondContact CD-OH 3.44Å; K37-Y39 VanDerWaalsContact CE-OH 3.27Å; K37-Y39 WeakPolarHBondContact CE-OH 3.43Å; K37-Y39 HydrophobicContact CG-CE2 4.44Å; K37-Y39 PolarHBondContact NZ-OH 2.93Å; Y39-V50 HydrophobicContact CD1-CG1 4.32Å; Y39-V50 HydrophobicContact CD1-CG2 3.89Å; Y39-V50 HydrophobicContact CE1-CG1 4.12Å; Y39-V50 HydrophobicContact CE1-CG2 4.03Å
40G97.9Very high97Very high10 Ų1041.2 Ų41.210%0.10324%0.244CC..PPolyproline II helixtrans-59.2137.2178.300000112.3Y46 G49G40-Y46 WeakPolarHBondContact CA-O 3.3Å; G40-G49 PolarHBondContact N-O 2.67Å
41P98Very high97.3Very high22 Ų2240.5 Ų40.514%0.14324%0.235CC..PPolyproline II helixtrans-66.5139.3-17624.2-31.7000112.3T44 P110 L113P41-T44 HydrophobicContact CB-CG2 4Å; P41-T44 HydrophobicContact CG-CG2 3.71Å; P41-T44 WeakPolarHBondContact CG-OG1 3.27Å; P41-T44 PolarHBondContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 3.09Å; P41-P110 HydrophobicContact CB-CB 4.15Å; P41-P110 HydrophobicContact CG-CB 4.48Å; P41-L113 HydrophobicContact CG-CB 3.97Å; P41-L113 HydrophobicContact CG-CD2 4.29Å
42Q96.3Very high97.6Very high170 Ų17039.9 Ų39.979%0.79423%0.23SC*.THydrogen-bonded Turntrans-62.2146.3176.6-66.4-179.9-000111.7T44Q42-T44 PolarHBondContact O-N 2.97Å
43G95.1Very high97.8Very high76 Ų7636.7 Ų36.778%0.78421%0.213SC*.THydrogen-bonded Turntrans74.68.8-178.700000114E47G43-E47 PolarHBondContact N-OE2 3.32Å
44T97.4Very high97.8Very high22 Ų2239.4 Ų39.414%0.13522%0.222CC..SBendtrans-115.1164.4176.179.20000110.8P41 Q42 Y46 E47 A114P41-T44 HydrophobicContact CB-CG2 4Å; P41-T44 HydrophobicContact CG-CG2 3.71Å; P41-T44 WeakPolarHBondContact CG-OG1 3.27Å; P41-T44 PolarHBondContact O-N 3.08Å; P41-T44 PolarHBondContact O-OG1 3.09Å; Q42-T44 PolarHBondContact O-N 2.97Å; T44-Y46 PolarHBondContact O-N 3.44Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 3.41Å; T44-E47 WeakPolarHBondContact O-CB 3.33Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.14Å; T44-A114 HydrophobicContact CG2-CB 3.88Å
45P97.5Very high97.8Very high34 Ų3439.4 Ų39.422%0.22122%0.222CC..THydrogen-bonded Turntrans-61.1-17.5174.4-19.732.9000113.6K138 I141 I145P45-K138 HydrophobicContact CB-CB 4.49Å; P45-K138 HydrophobicContact CB-CG 4.16Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P45-I141 HydrophobicContact CB-CB 4.28Å; P45-I141 HydrophobicContact CB-CD1 3.77Å; P45-I141 HydrophobicContact CB-CG2 4.13Å; P45-I141 HydrophobicContact CG-CD1 4.37Å; P45-I141 VanDerWaalsContact O-CG2 3.27Å; P45-I141 WeakPolarHBondContact O-CG2 3.41Å; P45-I145 WeakPolarHBondContact O-CD1 3.4Å
46Y98.4Very high97.8Very high1 Ų140.8 Ų40.80%0.00423%0.229CC..THydrogen-bonded Turntrans-85.2-8.1-179-59.7-82.8000113.6G40 T44 G48 G49 W51 I74 F75 H76 L113 Y137 I141G40-Y46 WeakPolarHBondContact CA-O 3.3Å; T44-Y46 PolarHBondContact O-N 3.44Å; T44-Y46 VanDerWaalsContact O-N 3.07Å; T44-Y46 PolarHBondContact OG1-N 3.41Å; Y46-G48 PolarHBondContact O-N 3.13Å; Y46-G49 PolarHBondContact O-N 2.6Å; Y46-G49 VanDerWaalsContact O-N 3.07Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.22Å; Y46-W51 HydrophobicContact CG-CH2 4.43Å; Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.93Å; Y46-I74 HydrophobicContact CE1-CG1 3.86Å; Y46-F75 PolarHBondContact OH-O 3.19Å; Y46-H76 AromaticContact CZ-CD2 3.75Å; Y46-H76 WeakPolarHBondContact OH-CB 3.45Å; Y46-H76 PolarHBondContact OH-CD2 3.22Å; Y46-L113 HydrophobicContact CD1-CD2 4.03Å; Y46-L113 HydrophobicContact CD1-CG 4.24Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 4Å; Y46-L113 HydrophobicContact CD2-CG 3.77Å; Y46-L113 HydrophobicContact CE1-CG 4.41Å; Y46-L113 HydrophobicContact CE2-CB 3.99Å; Y46-L113 HydrophobicContact CE2-CG 3.97Å; Y46-L113 VanDerWaalsContact CE2-O 3.22Å; Y46-L113 WeakPolarHBondContact CE2-O 3.26Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.68Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; Y46-Y137 PolarHBondContact OH-OH 3.15Å; Y46-I141 HydrophobicContact CD1-CG2 3.74Å; Y46-I141 HydrophobicContact CE1-CD1 3.96Å; Y46-I141 HydrophobicContact CE1-CG1 4.17Å; Y46-I141 HydrophobicContact CE1-CG2 3.86Å; Y46-I141 HydrophobicContact CE2-CD1 3.98Å; Y46-I141 HydrophobicContact CG-CG2 4.27Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.32Å
47E98.1Very high97.8Very high107 Ų10741.1 Ų41.150%0.523%0.231SC..THydrogen-bonded Turntrans-53.1134.7-178.5-176.1176.7157.500111.9G43 T44 G49G43-E47 PolarHBondContact N-OE2 3.32Å; T44-E47 WeakPolarHBondContact O-CB 3.33Å; T44-E47 PolarHBondContact O-N 3.4Å; T44-E47 VanDerWaalsContact O-N 3.14Å; E47-G49 PolarHBondContact O-N 3.2Å
48G96.8Very high97.7Very high62 Ų6241 Ų4164%0.63923%0.234SC*.THydrogen-bonded Turntrans82.9-9.8-178.500000114.8Y46Y46-G48 PolarHBondContact O-N 3.13Å
49G98.1Very high97.5Very high0 Ų048.3 Ų48.30%027%0.274CS..  trans-77.3150.3171.600000113.1G40 Y46 E47 W51 A149G40-G49 PolarHBondContact N-O 2.67Å; Y46-G49 PolarHBondContact O-N 2.6Å; Y46-G49 VanDerWaalsContact O-N 3.07Å; E47-G49 PolarHBondContact O-N 3.2Å; G49-W51 VanDerWaalsContact C-CZ3 3.4Å; G49-W51 WeakPolarHBondContact O-CZ3 3.38Å; G49-A149 CarbonylContact C-O 3.54Å; G49-A149 WeakPolarHBondContact CA-O 3.24Å
50V98.3Very high97.4Very high9 Ų949.6 Ų49.66%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-128.8125.5179.9-170.80000109.2K37 Y39 N72 A149 E151 L154K37-V50 HydrophobicContact CD-CG1 4.22Å; K37-V50 HydrophobicContact CG-CG1 3.86Å; Y39-V50 HydrophobicContact CD1-CG1 4.32Å; Y39-V50 HydrophobicContact CD1-CG2 3.89Å; Y39-V50 HydrophobicContact CE1-CG1 4.12Å; Y39-V50 HydrophobicContact CE1-CG2 4.03Å; V50-N72 PolarHBondContact O-ND2 2.87Å; V50-N72 VanDerWaalsContact O-ND2 3.1Å; V50-A149 PolarHBondContact N-O 3.47Å; V50-A149 WeakPolarHBondContact O-CA 3.32Å; V50-A149 WeakPolarHBondContact O-CB 3.34Å; V50-E151 HydrophobicContact CG2-CG 4.41Å; V50-L154 HydrophobicContact CB-CD1 4.07Å; V50-L154 HydrophobicContact CG1-CD1 3.66Å
51W98.6Very high97.3Very high4 Ų449.2 Ų49.22%0.01528%0.277CS..EExtended strand (participates in β ladder)trans-125.8148.7-179.3-67.1-89.7000112.5F38 Y46 G49 V53 F70 N72 K73 I74 I145 A149F38-W51 HydrophobicContact CD1-CE3 4.27Å; F38-W51 PolarHBondContact N-O 3.06Å; F38-W51 PolarHBondContact O-N 2.81Å; Y46-W51 AromaticContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CH2 3.88Å; Y46-W51 HydrophobicContact CD1-CZ2 4.22Å; Y46-W51 HydrophobicContact CG-CH2 4.43Å; G49-W51 VanDerWaalsContact C-CZ3 3.4Å; G49-W51 WeakPolarHBondContact O-CZ3 3.38Å; W51-V53 HydrophobicContact CB-CG2 4.35Å; W51-F70 HydrophobicContact CB-CD1 3.66Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.66Å; W51-F70 HydrophobicContact CD2-CD1 4.36Å; W51-F70 HydrophobicContact CD2-CE1 4.26Å; W51-F70 AromaticContact CG-CD1 3.61Å; W51-F70 HydrophobicContact CG-CD1 3.61Å; W51-F70 AromaticContact CG-CE1 3.89Å; W51-F70 HydrophobicContact CG-CE1 3.89Å; W51-N72 WeakPolarHBondContact CA-OD1 3.45Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; W51-K73 PolarHBondContact NE1-O 2.84Å; W51-K73 VanDerWaalsContact NE1-O 3.11Å; W51-I74 HydrophobicContact CD2-CD1 4.42Å; W51-I74 HydrophobicContact CZ2-CD1 4.11Å; W51-I74 HydrophobicContact CZ2-CG1 4.13Å; W51-I145 HydrophobicContact CH2-CD1 4.24Å; W51-I145 HydrophobicContact CH2-CG1 3.94Å; W51-I145 HydrophobicContact CZ2-CG1 3.97Å; W51-A149 HydrophobicContact CD2-CB 4.08Å; W51-A149 VanDerWaalsContact CE2-CB 3.48Å; W51-A149 HydrophobicContact CG-CB 4.42Å; W51-A149 HydrophobicContact CH2-CB 4.47Å; W51-A149 HydrophobicContact CZ2-CB 3.73Å
52K98.2Very high97.2Very high46 Ų4648.8 Ų48.820%0.227%0.274CS..EExtended strand (participates in β ladder)trans-92.6114.2164.1-75.3175.6-177.8170.10108.2V35 M71 N72 L154 E158V35-K52 HydrophobicContact CG1-CB 3.74Å; V35-K52 HydrophobicContact CG1-CG 4.16Å; K52-M71 HydrophobicContact CB-CB 4.03Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.23Å; K52-M71 WeakPolarHBondContact O-CB 3.21Å; K52-M71 PolarHBondContact O-N 2.97Å; K52-N72 PolarHBondContact N-OD1 3.35Å; K52-L154 HydrophobicContact CD-CD2 4.3Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.62Å; K52-E158 PolarHBondContact NZ-OE1 3.47Å
53V98.5Very high97.2Very high0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-106.3111.3-178.6179.80000108.7V35 V36 F38 W51 V55 I68 G69 F70 F105 L109V35-V53 CarbonylContact C-O 3.57Å; V35-V53 WeakPolarHBondContact CA-O 3.47Å; V36-V53 PolarHBondContact N-O 2.82Å; V36-V53 PolarHBondContact O-N 2.98Å; F38-V53 HydrophobicContact CB-CG2 3.64Å; F38-V53 HydrophobicContact CD1-CG2 4.37Å; F38-V53 HydrophobicContact CG-CG2 4.2Å; W51-V53 HydrophobicContact CB-CG2 4.35Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V53-I68 HydrophobicContact CG1-CG2 3.47Å; V53-I68 VanDerWaalsContact CG1-CG2 3.47Å; V53-G69 CarbonylContact C-O 3.28Å; V53-G69 WeakPolarHBondContact CA-O 3.47Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.43Å; V53-F70 HydrophobicContact CG2-CZ 4.09Å; V53-F105 HydrophobicContact CB-CE1 4.04Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V53-L109 HydrophobicContact CG1-CD1 4.18Å; V53-L109 HydrophobicContact CG2-CD1 4.48Å
54R98.3Very high97.3Very high88 Ų8851 Ų5133%0.33226%0.26SS..EExtended strand (participates in β ladder)trans-79.4136.6172.9177.8179.3164.7151.87.3109.8E33 F34 V35 D56 I68 G69 M71E33-R54 IonicContact OE1-CZ 2.78Å; E33-R54 IonicContact OE1-NE 2.77Å; E33-R54 IonicContact OE1-NH1 3.67Å; E33-R54 PolarHBondContact OE1-NH1 3.03Å; E33-R54 IonicContact OE1-NH2 3.67Å; E33-R54 PolarHBondContact OE1-NH2 2.56Å; F34-R54 WeakPolarHBondContact O-CA 3.47Å; V35-R54 HydrophobicContact CG2-CB 4.31Å; R54-D56 IonicContact CZ-OD1 2.7Å; R54-D56 IonicContact CZ-OD2 2.68Å; R54-D56 IonicContact NE-OD1 3.01Å; R54-D56 PolarHBondContact NE-OD1 2.88Å; R54-D56 IonicContact NE-OD2 3.82Å; R54-D56 PolarHBondContact NE-OD2 3.42Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 2.96Å; R54-D56 IonicContact NH2-OD2 2.56Å; R54-I68 WeakPolarHBondContact O-CA 3.42Å; R54-G69 PolarHBondContact N-O 2.88Å; R54-G69 PolarHBondContact O-N 3.23Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.15Å
55V98.3Very high97.3Very high0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans-127.3129.5175-179.10000109E33 F34 V53 L57 P66 S67 F105E33-V55 WeakPolarHBondContact CA-O 3.46Å; F34-V55 HydrophobicContact CD2-CB 4.1Å; F34-V55 HydrophobicContact CE1-CB 4.42Å; F34-V55 HydrophobicContact CE1-CG1 4.28Å; F34-V55 HydrophobicContact CE2-CB 3.55Å; F34-V55 HydrophobicContact CE2-CG1 3.92Å; F34-V55 HydrophobicContact CE2-CG2 3.96Å; F34-V55 HydrophobicContact CZ-CB 3.72Å; F34-V55 HydrophobicContact CZ-CG1 3.58Å; F34-V55 HydrophobicContact CZ-CG2 4.47Å; F34-V55 PolarHBondContact N-O 2.81Å; F34-V55 PolarHBondContact O-N 2.88Å; V53-V55 HydrophobicContact CG1-CG2 4.44Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; V55-P66 HydrophobicContact CG1-CB 3.85Å; V55-S67 WeakPolarHBondContact CA-O 3.37Å; V55-F105 HydrophobicContact CG2-CZ 3.72Å
56D98.1Very high97.3Very high41 Ų4149 Ų4922%0.21925%0.248CC..EExtended strand (participates in β ladder)trans-118125.3173.4-56.4-104.1000109.6N32 E33 R54 P66 S67N32-D56 CarbonylContact O-C 3.58Å; N32-D56 WeakPolarHBondContact O-CA 3.36Å; E33-D56 WeakPolarHBondContact CG-OD1 3.49Å; R54-D56 IonicContact CZ-OD1 2.7Å; R54-D56 IonicContact CZ-OD2 2.68Å; R54-D56 IonicContact NE-OD1 3.01Å; R54-D56 PolarHBondContact NE-OD1 2.88Å; R54-D56 IonicContact NE-OD2 3.82Å; R54-D56 PolarHBondContact NE-OD2 3.42Å; R54-D56 IonicContact NH2-OD1 2.67Å; R54-D56 PolarHBondContact NH2-OD1 2.96Å; R54-D56 IonicContact NH2-OD2 2.56Å; D56-P66 WeakPolarHBondContact O-CA 3.45Å; D56-S67 WeakPolarHBondContact CB-OG 3.43Å; D56-S67 PolarHBondContact N-O 3.32Å; D56-S67 PolarHBondContact O-N 3.25Å
57L97.6Very high97.3Very high6 Ų651.6 Ų51.63%0.03127%0.266CS..  trans-95.8121.6178.8-52.5-173.1000109.6M11 V15 N32 F34 V55 Y61 P66 L101M11-L57 HydrophobicContact CE-CB 3.91Å; M11-L57 HydrophobicContact CG-CD1 3.56Å; M11-L57 HydrophobicContact SD-CB 4.4Å; M11-L57 HydrophobicContact SD-CD1 4.36Å; V15-L57 HydrophobicContact CG2-CD1 3.63Å; N32-L57 HydrophobicContact CB-CB 4.26Å; N32-L57 PolarHBondContact O-N 3.29Å; F34-L57 HydrophobicContact CE1-CD1 3.88Å; F34-L57 HydrophobicContact CE1-CD2 4.32Å; F34-L57 HydrophobicContact CE1-CG 3.93Å; F34-L57 HydrophobicContact CZ-CD1 4.49Å; F34-L57 HydrophobicContact CZ-CD2 4.38Å; F34-L57 HydrophobicContact CZ-CG 4.47Å; V55-L57 HydrophobicContact CG1-CD2 3.86Å; L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CB-CG 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.09Å; L57-Y61 HydrophobicContact CD2-CE2 4Å; L57-P66 HydrophobicContact CD2-CB 3.68Å; L57-L101 HydrophobicContact CD2-CD1 4.1Å
58P96.8Very high97.3Very high40 Ų4046.7 Ų46.726%0.2624%0.243SC..  trans-74.2160.8-178.931-36.6000112.1K60 Y61 K64 S65P58-K60 PolarHBondContact O-N 3.18Å; P58-Y61 WeakPolarHBondContact O-CB 3.48Å; P58-Y61 PolarHBondContact O-N 3.25Å; P58-K64 HydrophobicContact CB-CB 4.36Å; P58-K64 HydrophobicContact CG-CB 3.6Å; P58-S65 WeakPolarHBondContact CD-O 3.49Å; P58-S65 WeakPolarHBondContact CG-O 3.33Å
59D94.2Very high97.4Very high163 Ų16344.3 Ų44.387%0.87222%0.219SC*.THydrogen-bonded Turntrans-54.3-28.1177-67.1-20.4000114.3Y61D59-Y61 VanDerWaalsContact C-N 3.34Å
60K94.9Very high97.4Very high141 Ų14144.5 Ų44.561%0.61322%0.22SC*.THydrogen-bonded Turntrans-92.713.8179.8-63.2-172.9179.7-176.10113.3P58 F63 K64P58-K60 PolarHBondContact O-N 3.18Å; K60-F63 WeakPolarHBondContact O-CB 3.49Å; K60-F63 PolarHBondContact O-N 3.09Å; K60-K64 HydrophobicContact CB-CB 4.25Å; K60-K64 HydrophobicContact CB-CD 4.12Å; K60-K64 HydrophobicContact CB-CG 3.95Å; K60-K64 HydrophobicContact CD-CD 4.37Å; K60-K64 PolarHBondContact O-N 3.25Å; K60-K64 VanDerWaalsContact O-N 3.14Å
61Y96.3Very high97.3Very high2 Ų249.2 Ų49.21%0.00824%0.243CC..THydrogen-bonded Turntrans-57.7140173.3-177.6-90.9000111.4G7 R10 M11 D14 L57 P58 D59 W95G7-Y61 WeakPolarHBondContact CA-O 3.36Å; R10-Y61 HydrophobicContact CG-CE1 4.2Å; M11-Y61 HydrophobicContact CB-CD1 3.84Å; M11-Y61 HydrophobicContact CB-CE1 4.25Å; M11-Y61 HydrophobicContact CE-CG 4.43Å; M11-Y61 HydrophobicContact CG-CD1 4.35Å; D14-Y61 PolarHBondContact OD2-OH 3Å; L57-Y61 HydrophobicContact CB-CD2 4.34Å; L57-Y61 HydrophobicContact CB-CG 4.47Å; L57-Y61 HydrophobicContact CD2-CD2 4.09Å; L57-Y61 HydrophobicContact CD2-CE2 4Å; P58-Y61 WeakPolarHBondContact O-CB 3.48Å; P58-Y61 PolarHBondContact O-N 3.25Å; D59-Y61 VanDerWaalsContact C-N 3.34Å; Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.55Å; Y61-W95 HydrophobicContact CE2-CH2 3.55Å; Y61-W95 AromaticContact CE2-CZ2 3.4Å; Y61-W95 HydrophobicContact CE2-CZ2 3.4Å
62P96.1Very high97.3Very high12 Ų1249.1 Ų49.18%0.07824%0.243CC..THydrogen-bonded Turncis-91.96.51.137.8-38.5000114.6R10 K64 W95 A97R10-P62 HydrophobicContact CG-CG 4.07Å; P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 CarbonylContact C-O 3.5Å; P62-K64 PolarHBondContact O-N 3.32Å; P62-W95 HydrophobicContact CB-CZ2 4.18Å; P62-W95 PolarHBondContact O-NE1 2.93Å; P62-A97 HydrophobicContact CG-CB 4.2Å; P62-A97 WeakPolarHBondContact CG-O 3.38Å
63F95.4Very high97.3Very high173 Ų17350.7 Ų50.776%0.75925%0.249SC*.THydrogen-bonded Turntrans-70.4-26.5-179.8-60.3-72.1000112.9K60 A97K60-F63 WeakPolarHBondContact O-CB 3.49Å; K60-F63 PolarHBondContact O-N 3.09Å; F63-A97 HydrophobicContact CD1-CB 4.02Å; F63-A97 HydrophobicContact CE1-CB 4.28Å
64K96.5Very high97.3Very high119 Ų11950.8 Ų50.852%0.51725%0.25SC..SBendtrans-101139.8162.2-74.2-165.1170.1-165.90109.6P58 K60 P62P58-K64 HydrophobicContact CB-CB 4.36Å; P58-K64 HydrophobicContact CG-CB 3.6Å; K60-K64 HydrophobicContact CB-CB 4.25Å; K60-K64 HydrophobicContact CB-CD 4.12Å; K60-K64 HydrophobicContact CB-CG 3.95Å; K60-K64 HydrophobicContact CD-CD 4.37Å; K60-K64 PolarHBondContact O-N 3.25Å; K60-K64 VanDerWaalsContact O-N 3.14Å; P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 CarbonylContact C-O 3.5Å; P62-K64 PolarHBondContact O-N 3.32Å
65S97.4Very high97.3Very high14 Ų1446.7 Ų46.710%0.09823%0.234CC..PPolyproline II helixtrans-64.8154.3175.450.40000112P58 N92 W95P58-S65 WeakPolarHBondContact CD-O 3.49Å; P58-S65 WeakPolarHBondContact CG-O 3.33Å; S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 3.12Å; S65-W95 VanDerWaalsContact CA-CD1 3.48Å
66P97.9Very high97.3Very high0 Ų046.7 Ų46.70%023%0.234CC..PPolyproline II helixtrans-66.815216729.5-34.1000111V55 D56 L57 W95 I104V55-P66 HydrophobicContact CG1-CB 3.85Å; D56-P66 WeakPolarHBondContact O-CA 3.45Å; L57-P66 HydrophobicContact CD2-CB 3.68Å; P66-W95 HydrophobicContact CG-CE3 4.12Å; P66-W95 HydrophobicContact CG-CH2 4.26Å; P66-W95 HydrophobicContact CG-CZ3 3.94Å; P66-I104 HydrophobicContact CG-CD1 3.67Å
67S98Very high97.3Very high56 Ų5644.7 Ų44.739%0.39222%0.224SC..EExtended strand (participates in β ladder)trans-89.6139.7160.949.10000109.7V55 D56V55-S67 WeakPolarHBondContact CA-O 3.37Å; D56-S67 WeakPolarHBondContact CB-OG 3.43Å; D56-S67 PolarHBondContact N-O 3.32Å; D56-S67 PolarHBondContact O-N 3.25Å
68I98.6Very high97.3Very high4 Ų444.5 Ų44.52%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-124.8131.1-175.8-56168.6000108.1V53 R54 V86 I91 I104 F108 L109V53-I68 HydrophobicContact CG1-CG2 3.47Å; V53-I68 VanDerWaalsContact CG1-CG2 3.47Å; R54-I68 WeakPolarHBondContact O-CA 3.42Å; I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.05Å; I68-V86 HydrophobicContact CG2-CG2 3.87Å; I68-V86 PolarHBondContact O-N 3.22Å; I68-I91 HydrophobicContact CB-CD1 4.19Å; I68-I91 HydrophobicContact CD1-CD1 4.04Å; I68-I91 HydrophobicContact CD1-CG1 4.3Å; I68-I91 HydrophobicContact CG1-CD1 4.09Å; I68-I104 HydrophobicContact CD1-CD1 4.31Å; I68-I104 HydrophobicContact CD1-CG2 3.63Å; I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; I68-L109 HydrophobicContact CG2-CD2 4.4Å
69G98.3Very high97.4Very high13 Ų1342.6 Ų42.613%0.13421%0.21CC..EExtended strand (participates in β ladder)trans-139.5135.9179.300000112.8V53 R54 G84V53-G69 CarbonylContact C-O 3.28Å; V53-G69 WeakPolarHBondContact CA-O 3.47Å; R54-G69 PolarHBondContact N-O 2.88Å; R54-G69 PolarHBondContact O-N 3.23Å; G69-G84 CarbonylContact C-O 3.54Å; G69-G84 WeakPolarHBondContact CA-O 3.42Å
70F98.5Very high97.6Very high4 Ų437.3 Ų37.32%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-83.2117172.1-75.4-103.6000109.6F38 W51 V53 I74 I79 G84 V86 L109 L113F38-F70 HydrophobicContact CD1-CE1 4.18Å; W51-F70 HydrophobicContact CB-CD1 3.66Å; W51-F70 HydrophobicContact CB-CE1 3.9Å; W51-F70 AromaticContact CD1-CD1 3.66Å; W51-F70 HydrophobicContact CD2-CD1 4.36Å; W51-F70 HydrophobicContact CD2-CE1 4.26Å; W51-F70 AromaticContact CG-CD1 3.61Å; W51-F70 HydrophobicContact CG-CD1 3.61Å; W51-F70 AromaticContact CG-CE1 3.89Å; W51-F70 HydrophobicContact CG-CE1 3.89Å; V53-F70 HydrophobicContact CG2-CD1 3.97Å; V53-F70 HydrophobicContact CG2-CE1 3.79Å; V53-F70 HydrophobicContact CG2-CG 4.43Å; V53-F70 HydrophobicContact CG2-CZ 4.09Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.26Å; F70-I74 HydrophobicContact CD1-CD1 3.9Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.61Å; F70-I74 HydrophobicContact CG-CB 4.45Å; F70-I74 HydrophobicContact CG-CG2 3.72Å; F70-I74 HydrophobicContact CZ-CD1 4Å; F70-I79 HydrophobicContact CD2-CD1 3.77Å; F70-I79 HydrophobicContact CD2-CG2 4.24Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; F70-G84 PolarHBondContact N-O 3.2Å; F70-G84 WeakPolarHBondContact O-CA 3.33Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; F70-L109 HydrophobicContact CE2-CD2 4.11Å; F70-L109 HydrophobicContact CZ-CD2 4.18Å; F70-L113 HydrophobicContact CZ-CD1 4.38Å
71M97.7Very high97.6Very high107 Ų10733 Ų3353%0.52716%0.164SC..SBendtrans-74.3-36.4-176.3-62.4-171.770.100112.5V35 K52 R54V35-M71 HydrophobicContact CB-SD 4.43Å; V35-M71 HydrophobicContact CG1-SD 3.94Å; V35-M71 HydrophobicContact CG2-SD 3.54Å; V35-M71 VanDerWaalsContact CG2-SD 3.54Å; K52-M71 HydrophobicContact CB-CB 4.03Å; K52-M71 HydrophobicContact CB-CG 4.33Å; K52-M71 HydrophobicContact CB-SD 4.23Å; K52-M71 WeakPolarHBondContact O-CB 3.21Å; K52-M71 PolarHBondContact O-N 2.97Å; R54-M71 HydrophobicContact CB-CG 3.91Å; R54-M71 HydrophobicContact CB-SD 4.15Å
72N97.4Very high97.5Very high3 Ų337.1 Ų37.12%0.01620%0.199CC..SBendtrans-98.9152.7169.962.6-55.1000110.3V50 W51 K52 Y148 L154V50-N72 PolarHBondContact O-ND2 2.87Å; V50-N72 VanDerWaalsContact O-ND2 3.1Å; W51-N72 WeakPolarHBondContact CA-OD1 3.45Å; W51-N72 VanDerWaalsContact CD1-CG 3.49Å; K52-N72 PolarHBondContact N-OD1 3.35Å; N72-Y148 WeakPolarHBondContact CB-O 3.49Å; N72-Y148 PolarHBondContact ND2-O 3.46Å; N72-L154 HydrophobicContact CB-CD2 4.06Å
73K97.8Very high97.6Very high79 Ų7939.9 Ų39.934%0.34322%0.218SC..  trans-61.6140.1-168-71.4-177.5172.9-70.30112.6W51 E81 Y144 Y148W51-K73 PolarHBondContact NE1-O 2.84Å; W51-K73 VanDerWaalsContact NE1-O 3.11Å; K73-E81 PolarHBondContact NZ-O 3.45Å; K73-Y144 HydrophobicContact CB-CD1 4.45Å; K73-Y148 HydrophobicContact CB-CD1 4.34Å; K73-Y148 HydrophobicContact CB-CD2 3.81Å; K73-Y148 HydrophobicContact CB-CE2 4.35Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.15Å; K73-Y148 HydrophobicContact CD-CD2 4.22Å; K73-Y148 HydrophobicContact CD-CE1 3.87Å; K73-Y148 HydrophobicContact CD-CE2 3.97Å; K73-Y148 HydrophobicContact CD-CG 4.31Å; K73-Y148 HydrophobicContact CG-CG 4.45Å
74I98.4Very high97.7Very high2 Ų232 Ų321%0.0119%0.185CC..  trans-137.1143.3172.5-171.4167.3000109Y46 W51 F70 H76 I79 L113Y46-I74 HydrophobicContact CD1-CD1 4.1Å; Y46-I74 HydrophobicContact CD1-CG1 4.3Å; Y46-I74 HydrophobicContact CE1-CD1 3.93Å; Y46-I74 HydrophobicContact CE1-CG1 3.86Å; W51-I74 HydrophobicContact CD2-CD1 4.42Å; W51-I74 HydrophobicContact CZ2-CD1 4.11Å; W51-I74 HydrophobicContact CZ2-CG1 4.13Å; F70-I74 HydrophobicContact CB-CG2 3.78Å; F70-I74 HydrophobicContact CD1-CB 4.26Å; F70-I74 HydrophobicContact CD1-CD1 3.9Å; F70-I74 HydrophobicContact CD1-CG2 4Å; F70-I74 HydrophobicContact CD2-CG2 4.16Å; F70-I74 HydrophobicContact CE1-CD1 3.61Å; F70-I74 HydrophobicContact CG-CB 4.45Å; F70-I74 HydrophobicContact CG-CG2 3.72Å; F70-I74 HydrophobicContact CZ-CD1 4Å; I74-H76 HydrophobicContact CG1-CB 4.45Å; I74-I79 HydrophobicContact CD1-CD1 4.06Å; I74-I79 HydrophobicContact CG2-CB 4.23Å; I74-I79 HydrophobicContact CG2-CD1 3.88Å; I74-I79 HydrophobicContact CG2-CG2 3.69Å; I74-L113 HydrophobicContact CD1-CD1 4.49Å; I74-L113 HydrophobicContact CD1-CD2 4.36Å
75F98.4Very high97.7Very high1 Ų129.4 Ų29.40%0.00418%0.179CC..  trans-106.999.4177.8-172.4-108.4000109.6Y46 E81 D125 A126 M129 Y137 K140 I141 Y144Y46-F75 PolarHBondContact OH-O 3.19Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.41Å; F75-D125 HydrophobicContact CE2-CB 4.35Å; F75-D125 HydrophobicContact CZ-CB 4.25Å; F75-A126 HydrophobicContact CD1-CB 4.06Å; F75-A126 HydrophobicContact CD2-CB 4.27Å; F75-A126 HydrophobicContact CE1-CB 3.63Å; F75-A126 HydrophobicContact CE2-CB 3.83Å; F75-A126 HydrophobicContact CG-CB 4.37Å; F75-A126 HydrophobicContact CZ-CB 3.51Å; F75-M129 HydrophobicContact CE1-SD 3.87Å; F75-M129 HydrophobicContact CZ-SD 3.89Å; F75-Y137 HydrophobicContact CD1-CD2 4.2Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CE2 4.18Å; F75-K140 HydrophobicContact CD1-CB 4.42Å; F75-K140 HydrophobicContact CD1-CD 4.03Å; F75-K140 HydrophobicContact CD1-CG 4.02Å; F75-K140 HydrophobicContact CD2-CD 4.37Å; F75-K140 HydrophobicContact CE1-CB 4.41Å; F75-K140 HydrophobicContact CE1-CD 3.62Å; F75-K140 HydrophobicContact CE1-CG 4.08Å; F75-K140 HydrophobicContact CE2-CD 4.03Å; F75-K140 VanDerWaalsContact CE2-CE 3.48Å; F75-K140 HydrophobicContact CG-CD 4.38Å; F75-K140 HydrophobicContact CG-CG 4.36Å; F75-K140 HydrophobicContact CZ-CD 3.61Å; F75-K140 HydrophobicContact CZ-CG 4.49Å; F75-I141 HydrophobicContact CB-CG1 4.46Å; F75-I141 HydrophobicContact CD1-CG1 4.2Å; F75-Y144 HydrophobicContact CB-CD1 3.74Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.9Å; F75-Y144 HydrophobicContact CB-CG 4.01Å; F75-Y144 HydrophobicContact CD2-CE1 4.28Å; F75-Y144 HydrophobicContact CG-CE1 4.48Å
76H98.4Very high97.7Very high0 Ų028.8 Ų28.80%018%0.175CC..  trans-148.7140.2-173.9-177.2-79.3000111.6Y46 I74 N78 I79 L112 N123Y46-H76 AromaticContact CZ-CD2 3.75Å; Y46-H76 WeakPolarHBondContact OH-CB 3.45Å; Y46-H76 PolarHBondContact OH-CD2 3.22Å; I74-H76 HydrophobicContact CG1-CB 4.45Å; H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.86Å; H76-N78 PolarHBondContact ND1-N 3.4Å; H76-N78 PolarHBondContact O-N 3.4Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.9Å; H76-I79 PolarHBondContact O-N 3.35Å; H76-I79 VanDerWaalsContact O-N 3.15Å; H76-I79 VanDerWaalsContact O-O 3.06Å; H76-L112 PolarHBondContact NE2-O 3.07Å; H76-N123 WeakPolarHBondContact O-CB 3.35Å
77P98.2Very high97.7Very high0 Ų029.7 Ų29.70%018%0.181CC..THydrogen-bonded Turntrans-54.2-41.2-177.2-30.337.2000115.5P116 P121 L122 N123 A126 A127 Y137P77-P116 HydrophobicContact CB-CB 4.05Å; P77-P116 HydrophobicContact CG-CB 3.64Å; P77-P116 HydrophobicContact CG-CG 4.15Å; P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.55Å; P77-P121 WeakPolarHBondContact O-CA 3.42Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P77-L122 PolarHBondContact O-N 2.84Å; P77-N123 PolarHBondContact O-N 3.08Å; P77-A126 HydrophobicContact CG-CB 4.11Å; P77-A127 HydrophobicContact CB-CB 4.09Å; P77-A127 HydrophobicContact CG-CB 4.48Å; P77-Y137 VanDerWaalsContact CD-OH 3.3Å; P77-Y137 WeakPolarHBondContact CD-OH 3.47Å
78N98.3Very high97.5Very high1 Ų131.5 Ų31.51%0.00519%0.186CC..THydrogen-bonded Turntrans-96.215.6-177.9-49.9108.4000114.6H76 C87 V90 L112 N117H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.86Å; H76-N78 PolarHBondContact ND1-N 3.4Å; H76-N78 PolarHBondContact O-N 3.4Å; N78-C87 HydrophobicContact CB-CB 4.33Å; N78-C87 PolarHBondContact O-N 2.62Å; N78-V90 HydrophobicContact CB-CG2 4.27Å; N78-L112 HydrophobicContact CB-CD1 4.21Å; N78-N117 PolarHBondContact ND2-O 2.87Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.85Å
79I98.3Very high97.2Very high0 Ų036.6 Ų36.60%021%0.213CC..BIsolated β-bridgetrans-125.9126.9178.3-53.3176.9000108F70 I74 H76 E81 G84 T85 V86F70-I79 HydrophobicContact CD2-CD1 3.77Å; F70-I79 HydrophobicContact CD2-CG2 4.24Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CZ-CD1 4.1Å; I74-I79 HydrophobicContact CD1-CD1 4.06Å; I74-I79 HydrophobicContact CG2-CB 4.23Å; I74-I79 HydrophobicContact CG2-CD1 3.88Å; I74-I79 HydrophobicContact CG2-CG2 3.69Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.74Å; H76-I79 HydrophobicContact CB-CG1 3.9Å; H76-I79 PolarHBondContact O-N 3.35Å; H76-I79 VanDerWaalsContact O-N 3.15Å; H76-I79 VanDerWaalsContact O-O 3.06Å; I79-E81 PolarHBondContact O-N 3.07Å; I79-G84 VanDerWaalsContact CG2-O 3.26Å; I79-G84 WeakPolarHBondContact CG2-O 3.41Å; I79-T85 WeakPolarHBondContact CA-O 3.49Å; I79-V86 HydrophobicContact CD1-CG2 4.37Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å
80D97.9Very high97Very high52 Ų5236.5 Ų36.528%0.27821%0.21SC..  trans-67127.1175174.558.6000110.3A82 S83 G84 T85 L122D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 PolarHBondContact OD2-N 2.9Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-N 2.77Å; D80-S83 PolarHBondContact OD2-OG 3.14Å; D80-G84 WeakPolarHBondContact O-CA 3.46Å; D80-G84 PolarHBondContact O-N 2.8Å; D80-T85 PolarHBondContact N-O 3.43Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.23Å
81E96.3Very high96.8Very high52 Ų5236.6 Ų36.624%0.24321%0.211CC..THydrogen-bonded Turntrans-74.9-25.5-172.1-170.9175.9156.300113.4K73 F75 I79 N123 Y144K73-E81 PolarHBondContact NZ-O 3.45Å; F75-E81 WeakPolarHBondContact CD2-OE2 3.41Å; I79-E81 PolarHBondContact O-N 3.07Å; E81-N123 PolarHBondContact OE2-ND2 2.84Å; E81-Y144 HydrophobicContact CG-CE1 4.43Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.44Å; E81-Y144 PolarHBondContact OE1-OH 3.13Å
82A94.6Very high96.7Very high88 Ų8835.1 Ų35.173%0.72721%0.205SC*.THydrogen-bonded Turntrans-79.9-48.7-178.800000111.4D80D80-A82 VanDerWaalsContact C-N 3.34Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 PolarHBondContact OD2-N 2.9Å
83S96.5Very high96.5Very high70 Ų7041.4 Ų41.449%0.4923%0.234SC..THydrogen-bonded Turntrans-95.3-19.7-177.267.40000114.4D80 T85D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-N 2.77Å; D80-S83 PolarHBondContact OD2-OG 3.14Å; S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 WeakPolarHBondContact OG-CB 3.38Å; S83-T85 PolarHBondContact OG-N 2.77Å; S83-T85 PolarHBondContact OG-OG1 2.81Å
84G97.5Very high96.3Very high6 Ų640.4 Ų40.46%0.06224%0.235CC..  trans75.76-171.600000114.3G69 F70 I79 D80 V86G69-G84 CarbonylContact C-O 3.54Å; G69-G84 WeakPolarHBondContact CA-O 3.42Å; F70-G84 PolarHBondContact N-O 3.2Å; F70-G84 WeakPolarHBondContact O-CA 3.33Å; I79-G84 VanDerWaalsContact CG2-O 3.26Å; I79-G84 WeakPolarHBondContact CG2-O 3.41Å; D80-G84 WeakPolarHBondContact O-CA 3.46Å; D80-G84 PolarHBondContact O-N 2.8Å; G84-V86 PolarHBondContact O-N 2.72Å
85T97.9Very high96.2Very high65 Ų6541.6 Ų41.640%0.39924%0.239SC..BIsolated β-bridgetrans-68.8128.1-175-55.50000111.3I79 D80 S83I79-T85 WeakPolarHBondContact CA-O 3.49Å; D80-T85 PolarHBondContact N-O 3.43Å; S83-T85 PolarHBondContact O-N 3.07Å; S83-T85 WeakPolarHBondContact OG-CB 3.38Å; S83-T85 PolarHBondContact OG-N 2.77Å; S83-T85 PolarHBondContact OG-OG1 2.81Å
86V98Very high96.1Very high2 Ų245.2 Ų45.21%0.01226%0.261CS..BIsolated β-bridgetrans-76.3136.1171.4-177.70000109.5I68 F70 I79 G84 L88 I91 F108 L112I68-V86 HydrophobicContact CB-CB 4.25Å; I68-V86 HydrophobicContact CB-CG2 4.05Å; I68-V86 HydrophobicContact CG2-CG2 3.87Å; I68-V86 PolarHBondContact O-N 3.22Å; F70-V86 HydrophobicContact CD2-CG2 3.98Å; F70-V86 HydrophobicContact CE2-CG2 3.8Å; I79-V86 HydrophobicContact CD1-CG2 4.37Å; I79-V86 HydrophobicContact CG1-CG2 4.18Å; G84-V86 PolarHBondContact O-N 2.72Å; V86-L88 PolarHBondContact O-N 2.59Å; V86-L88 VanDerWaalsContact O-N 3.16Å; V86-I91 HydrophobicContact CB-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CG1 3.99Å; V86-F108 HydrophobicContact CG1-CE1 4.38Å; V86-F108 HydrophobicContact CG1-CZ 4.37Å; V86-L112 HydrophobicContact CG1-CD2 3.79Å
87C96.1Very high96Very high18 Ų1846.9 Ų46.912%0.12228%0.275CS..PPolyproline II helixtrans-53.7119.6179.1-1780000112.2N78 D89 V90 I91 L122N78-C87 HydrophobicContact CB-CB 4.33Å; N78-C87 PolarHBondContact O-N 2.62Å; C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.3Å; C87-V90 HydrophobicContact CB-CB 4.22Å; C87-V90 HydrophobicContact CB-CG2 3.9Å; C87-V90 WeakPolarHBondContact O-CB 3.47Å; C87-V90 PolarHBondContact O-N 2.89Å; C87-V90 VanDerWaalsContact O-N 3.13Å; C87-I91 PolarHBondContact O-N 2.76Å; C87-I91 VanDerWaalsContact O-N 3.16Å; C87-L122 HydrophobicContact CB-CD1 3.73Å; C87-L122 HydrophobicContact CB-CG 4.04Å
88L93.9Very high95.8Very high94 Ų9454.1 Ų54.149%0.49231%0.313SS..Hα-helixtrans-62-34-176.8-175.161.3000112.5V86 V90 I91 N92V86-L88 PolarHBondContact O-N 2.59Å; V86-L88 VanDerWaalsContact O-N 3.16Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.01Å; L88-I91 PolarHBondContact O-N 3.35Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.38Å; L88-N92 PolarHBondContact O-ND2 3.43Å
89D93.6Very high95.7Very high111 Ų11155.8 Ų55.859%0.59432%0.32SS*.Hα-helixtrans-66.8-36.4178.1-68-24.1000111.7C87 N92 Q93C87-D89 VanDerWaalsContact C-N 3.27Å; C87-D89 PolarHBondContact O-N 3.3Å; D89-N92 PolarHBondContact O-N 2.88Å; D89-Q93 VanDerWaalsContact O-CG 3.32Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 2.91Å
90V93.2Very high95.5Very high12 Ų1258.2 Ų58.27%0.07333%0.333CS..Hα-helixtrans-67.5-40.1174.5177.40000111N78 C87 L88 N92 Q93 F108 L112N78-V90 HydrophobicContact CB-CG2 4.27Å; C87-V90 HydrophobicContact CB-CB 4.22Å; C87-V90 HydrophobicContact CB-CG2 3.9Å; C87-V90 WeakPolarHBondContact O-CB 3.47Å; C87-V90 PolarHBondContact O-N 2.89Å; C87-V90 VanDerWaalsContact O-N 3.13Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-V90 PolarHBondContact O-N 3.01Å; V90-N92 VanDerWaalsContact C-N 3.34Å; V90-Q93 PolarHBondContact O-N 3.36Å; V90-F108 HydrophobicContact CG1-CE2 4.13Å; V90-F108 HydrophobicContact CG1-CZ 4.19Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.45Å
91I94.9Very high95.4Very high6 Ų655.7 Ų55.73%0.03132%0.319CS..Hα-helixtrans-60.7-46.9173.3-59.2171.8000109.8I68 V86 C87 L88 Q93 T94 W95 F108I68-I91 HydrophobicContact CB-CD1 4.19Å; I68-I91 HydrophobicContact CD1-CD1 4.04Å; I68-I91 HydrophobicContact CD1-CG1 4.3Å; I68-I91 HydrophobicContact CG1-CD1 4.09Å; V86-I91 HydrophobicContact CB-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CD1 4.18Å; V86-I91 HydrophobicContact CG1-CG1 3.99Å; C87-I91 PolarHBondContact O-N 2.76Å; C87-I91 VanDerWaalsContact O-N 3.16Å; L88-I91 PolarHBondContact O-N 3.35Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.96Å; I91-T94 PolarHBondContact O-N 2.89Å; I91-T94 VanDerWaalsContact O-N 3.08Å; I91-W95 HydrophobicContact CG2-CB 4.4Å; I91-W95 WeakPolarHBondContact O-CB 3.35Å; I91-W95 PolarHBondContact O-N 3.33Å; I91-F108 HydrophobicContact CB-CZ 4.33Å; I91-F108 HydrophobicContact CG1-CE1 4.09Å; I91-F108 HydrophobicContact CG1-CZ 3.78Å
92N94.4Very high95.4Very high75 Ų7554 Ų5440%0.40131%0.312SS..Hα-helixtrans-67.5-22.9-176.9-72.3-25000114.2S65 L88 D89 V90 T94S65-N92 WeakPolarHBondContact CB-OD1 3.41Å; S65-N92 PolarHBondContact OG-OD1 3.12Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.38Å; L88-N92 PolarHBondContact O-ND2 3.43Å; D89-N92 PolarHBondContact O-N 2.88Å; V90-N92 VanDerWaalsContact C-N 3.34Å; N92-T94 PolarHBondContact O-N 2.99Å
93Q93.6Very high95.5Very high135 Ų13552.4 Ų52.463%0.63129%0.292SS*.Hα-helixtrans-66.9-28.4172.3-73.9166.222.100112.4D89 V90 I91D89-Q93 VanDerWaalsContact O-CG 3.32Å; D89-Q93 WeakPolarHBondContact O-CG 3.45Å; D89-Q93 PolarHBondContact O-N 2.91Å; V90-Q93 PolarHBondContact O-N 3.36Å; I91-Q93 VanDerWaalsContact C-N 3.28Å; I91-Q93 PolarHBondContact O-N 2.96Å
94T94Very high95.6Very high59 Ų5949.2 Ų49.236%0.36227%0.269SS..Hα-helixtrans-102.2-33.8-177.9-56.50000112.2I91 N92 Y99 F108I91-T94 PolarHBondContact O-N 2.89Å; I91-T94 VanDerWaalsContact O-N 3.08Å; N92-T94 PolarHBondContact O-N 2.99Å; T94-Y99 HydrophobicContact CG2-CD2 4.37Å; T94-Y99 HydrophobicContact CG2-CE2 3.54Å; T94-F108 HydrophobicContact CG2-CD2 3.97Å
95W97.1Very high95.6Very high27 Ų2749.2 Ų49.210%0.10227%0.268CS..  trans-70.2135.8-172.7-173.6-97.4000112.8Y61 P62 S65 P66 I91 Y99 I104Y61-W95 HydrophobicContact CD2-CZ2 4.1Å; Y61-W95 AromaticContact CE2-CH2 3.55Å; Y61-W95 HydrophobicContact CE2-CH2 3.55Å; Y61-W95 AromaticContact CE2-CZ2 3.4Å; Y61-W95 HydrophobicContact CE2-CZ2 3.4Å; P62-W95 HydrophobicContact CB-CZ2 4.18Å; P62-W95 PolarHBondContact O-NE1 2.93Å; S65-W95 VanDerWaalsContact CA-CD1 3.48Å; P66-W95 HydrophobicContact CG-CE3 4.12Å; P66-W95 HydrophobicContact CG-CH2 4.26Å; P66-W95 HydrophobicContact CG-CZ3 3.94Å; I91-W95 HydrophobicContact CG2-CB 4.4Å; I91-W95 WeakPolarHBondContact O-CB 3.35Å; I91-W95 PolarHBondContact O-N 3.33Å; W95-Y99 AromaticContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CG 4.05Å; W95-Y99 AromaticContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CG 4.23Å; W95-I104 HydrophobicContact CZ3-CD1 4.06Å; W95-I104 HydrophobicContact CZ3-CG1 4.38Å
96T96.6Very high95.5Very high76 Ų7650.4 Ų50.447%0.46627%0.268SS..  trans-137161.7167.970.80000109L98 Y99T96-L98 PolarHBondContact O-N 2.98Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 3.02Å; T96-Y99 PolarHBondContact OG1-N 3.33Å
97A95.1Very high95.4Very high35 Ų3552.9 Ų52.929%0.28929%0.286SS..THydrogen-bonded Turntrans-63-10.6178.700000114.4P62 F63P62-A97 HydrophobicContact CG-CB 4.2Å; P62-A97 WeakPolarHBondContact CG-O 3.38Å; F63-A97 HydrophobicContact CD1-CB 4.02Å; F63-A97 HydrophobicContact CE1-CB 4.28Å
98L94.9Very high95.5Very high153 Ų15352.6 Ų52.680%0.80128%0.283SS*.THydrogen-bonded Turntrans-106.5-1.3176.4-61.4178000112.8T96T96-L98 PolarHBondContact O-N 2.98Å
99Y95.4Very high95.7Very high35 Ų3548.1 Ų48.114%0.13726%0.259CS..  trans-64.5135-179.4-161.9-90.2000110T94 W95 T96 N103 I104T94-Y99 HydrophobicContact CG2-CD2 4.37Å; T94-Y99 HydrophobicContact CG2-CE2 3.54Å; W95-Y99 AromaticContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CD1 3.72Å; W95-Y99 HydrophobicContact CE3-CG 4.05Å; W95-Y99 AromaticContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CD1 3.63Å; W95-Y99 HydrophobicContact CZ3-CG 4.23Å; T96-Y99 WeakPolarHBondContact O-CB 3.43Å; T96-Y99 PolarHBondContact O-N 3.02Å; T96-Y99 PolarHBondContact OG1-N 3.33Å; Y99-N103 HydrophobicContact CD1-CB 4.37Å; Y99-N103 HydrophobicContact CE1-CB 3.56Å; Y99-N103 PolarHBondContact OH-O 2.97Å; Y99-I104 HydrophobicContact CE1-CG1 4.26Å
100D94.6Very high95.9Very high51 Ų5144 Ų4427%0.27324%0.238SC..  trans-78.9136.3179.3-158.3-9.7000110.6T102 N103D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.02Å; D100-T102 PolarHBondContact OD2-OG1 3.3Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CB 3.42Å; D100-N103 PolarHBondContact O-N 2.84Å; D100-N103 VanDerWaalsContact O-N 3.13Å
101L95Very high96.1Very high0 Ų048.7 Ų48.70%026%0.259CS..SBendtrans-67.6-33.4-175.8-170.369.3000111.4D14 V15 L18 F34 L57 N103 I104D14-L101 HydrophobicContact CB-CB 4.07Å; D14-L101 HydrophobicContact CB-CD2 4.02Å; V15-L101 HydrophobicContact CG2-CD2 3.99Å; L18-L101 HydrophobicContact CB-CD2 4.33Å; L18-L101 HydrophobicContact CD2-CD2 3.95Å; L18-L101 HydrophobicContact CD2-CG 4.21Å; F34-L101 HydrophobicContact CE1-CD2 4.47Å; F34-L101 HydrophobicContact CZ-CD1 4.44Å; F34-L101 HydrophobicContact CZ-CD2 3.84Å; F34-L101 HydrophobicContact CZ-CG 4.46Å; L57-L101 HydrophobicContact CD2-CD1 4.1Å; L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 3.39Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 WeakPolarHBondContact O-CB 3.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.24Å; L101-I104 PolarHBondContact O-N 3.1Å
102T96.5Very high96.2Very high15 Ų1548.9 Ų48.99%0.09226%0.261CS..THydrogen-bonded Turntrans-60.1-36.7172.850.80000112.2L18 D100 I104 F105 E106L18-T102 HydrophobicContact CD1-CG2 3.88Å; D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.02Å; D100-T102 PolarHBondContact OD2-OG1 3.3Å; T102-I104 PolarHBondContact O-N 3.48Å; T102-I104 VanDerWaalsContact O-N 3.09Å; T102-F105 PolarHBondContact O-N 3.14Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.08Å
103N96.9Very high96.4Very high56 Ų5645.4 Ų45.430%0.29924%0.242SC..Hα-helixtrans-65.3-15.1-179.8-73.5-24.7000113.3Y99 D100 L101 F105 S107 F108Y99-N103 HydrophobicContact CD1-CB 4.37Å; Y99-N103 HydrophobicContact CE1-CB 3.56Å; Y99-N103 PolarHBondContact OH-O 2.97Å; D100-N103 HydrophobicContact CB-CB 4.39Å; D100-N103 WeakPolarHBondContact O-CB 3.42Å; D100-N103 PolarHBondContact O-N 2.84Å; D100-N103 VanDerWaalsContact O-N 3.13Å; L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 3.39Å; N103-F105 VanDerWaalsContact C-N 3.26Å; N103-F105 PolarHBondContact O-N 2.85Å; N103-S107 WeakPolarHBondContact O-CA 3.4Å; N103-S107 WeakPolarHBondContact O-CB 3.37Å; N103-S107 PolarHBondContact O-N 2.83Å; N103-F108 PolarHBondContact O-N 2.82Å
104I97.5Very high96.5Very high3 Ų340.4 Ų40.42%0.01522%0.224CC..Iπ-helixtrans-56.7-46.2168.8-66.1179.2000110.1P66 I68 W95 Y99 L101 T102 F108 L109P66-I104 HydrophobicContact CG-CD1 3.67Å; I68-I104 HydrophobicContact CD1-CD1 4.31Å; I68-I104 HydrophobicContact CD1-CG2 3.63Å; W95-I104 HydrophobicContact CZ3-CD1 4.06Å; W95-I104 HydrophobicContact CZ3-CG1 4.38Å; Y99-I104 HydrophobicContact CE1-CG1 4.26Å; L101-I104 HydrophobicContact CD1-CD1 3.64Å; L101-I104 WeakPolarHBondContact O-CB 3.32Å; L101-I104 WeakPolarHBondContact O-CG1 3.24Å; L101-I104 PolarHBondContact O-N 3.1Å; T102-I104 PolarHBondContact O-N 3.48Å; T102-I104 VanDerWaalsContact O-N 3.09Å; I104-F108 HydrophobicContact CG2-CD1 4.42Å; I104-L109 HydrophobicContact CG2-CD1 4.11Å; I104-L109 HydrophobicContact CG2-CG 4.2Å; I104-L109 WeakPolarHBondContact O-CB 3.47Å; I104-L109 WeakPolarHBondContact O-CG 3.42Å; I104-L109 PolarHBondContact O-N 3.44Å
105F97.8Very high96.6Very high6 Ų645.3 Ų45.33%0.02624%0.237CC..Iπ-helixtrans-90.5-28.3-175.6-56.6-75.2000112.9L18 V36 F38 V53 V55 T102 N103 L109 P110L18-F105 HydrophobicContact CD1-CD2 3.94Å; L18-F105 HydrophobicContact CD1-CE2 4.1Å; L18-F105 HydrophobicContact CD2-CE2 3.98Å; V36-F105 HydrophobicContact CB-CD1 4.25Å; V36-F105 HydrophobicContact CB-CE1 3.59Å; V36-F105 HydrophobicContact CB-CE2 4.08Å; V36-F105 HydrophobicContact CB-CZ 3.48Å; V36-F105 VanDerWaalsContact CB-CZ 3.48Å; V36-F105 HydrophobicContact CG1-CD1 4.05Å; V36-F105 HydrophobicContact CG1-CD2 4.32Å; V36-F105 HydrophobicContact CG1-CE1 3.9Å; V36-F105 HydrophobicContact CG1-CE2 4.19Å; V36-F105 HydrophobicContact CG1-CG 4.25Å; V36-F105 HydrophobicContact CG1-CZ 3.96Å; V36-F105 HydrophobicContact CG2-CE1 4.03Å; V36-F105 HydrophobicContact CG2-CE2 3.67Å; V36-F105 HydrophobicContact CG2-CZ 3.35Å; F38-F105 HydrophobicContact CD2-CD1 4.16Å; V53-F105 HydrophobicContact CB-CE1 4.04Å; V53-F105 HydrophobicContact CG1-CE1 3.93Å; V55-F105 HydrophobicContact CG2-CZ 3.72Å; T102-F105 PolarHBondContact O-N 3.14Å; N103-F105 VanDerWaalsContact C-N 3.26Å; N103-F105 PolarHBondContact O-N 2.85Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; F105-P110 VanDerWaalsContact O-CD 3.3Å; F105-P110 WeakPolarHBondContact O-CD 3.17Å; F105-P110 VanDerWaalsContact O-CG 3.26Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å
106E96.3Very high96.4Very high89 Ų8944.4 Ų44.442%0.41624%0.235SC..Iπ-helixtrans-87-25.4-179.5-59.8-161.7141.200113.9K22 H23 T102K22-E106 WeakPolarHBondContact CE-OE1 3.19Å; K22-E106 IonicContact NZ-OE1 2.84Å; K22-E106 PolarHBondContact NZ-OE1 3.11Å; H23-E106 WeakPolarHBondContact NE2-CG 3.42Å; H23-E106 IonicContact NE2-OE1 2.88Å; T102-E106 PolarHBondContact O-N 3.09Å; T102-E106 VanDerWaalsContact O-N 3.08Å
107S96.9Very high96Very high54 Ų5442.8 Ų42.838%0.37822%0.223SC..Iπ-helixtrans-130.5-61.7-172.2-175.40000112.5N103 P110 Q111N103-S107 WeakPolarHBondContact O-CA 3.4Å; N103-S107 WeakPolarHBondContact O-CB 3.37Å; N103-S107 PolarHBondContact O-N 2.83Å; S107-P110 WeakPolarHBondContact O-CD 3.42Å; S107-Q111 WeakPolarHBondContact O-CB 3.37Å; S107-Q111 VanDerWaalsContact O-CG 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.32Å; S107-Q111 PolarHBondContact O-N 2.78Å
108F97.8Very high95.3Very high13 Ų1343.6 Ų43.66%0.05723%0.225CC..Iπ-helixtrans-60.7-56.6-171.5171.3-105.3000113.1I68 V86 V90 I91 T94 N103 I104 Q111 L112I68-F108 HydrophobicContact CD1-CD1 4.18Å; I68-F108 HydrophobicContact CD1-CE1 3.89Å; V86-F108 HydrophobicContact CG1-CE1 4.38Å; V86-F108 HydrophobicContact CG1-CZ 4.37Å; V90-F108 HydrophobicContact CG1-CE2 4.13Å; V90-F108 HydrophobicContact CG1-CZ 4.19Å; I91-F108 HydrophobicContact CB-CZ 4.33Å; I91-F108 HydrophobicContact CG1-CE1 4.09Å; I91-F108 HydrophobicContact CG1-CZ 3.78Å; T94-F108 HydrophobicContact CG2-CD2 3.97Å; N103-F108 PolarHBondContact O-N 2.82Å; I104-F108 HydrophobicContact CG2-CD1 4.42Å; F108-Q111 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CE1-CD2 4.29Å; F108-L112 HydrophobicContact CZ-CD2 4.08Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.49Å; F108-L112 PolarHBondContact O-N 3.32Å
109L98.1Very high94.8Very high0 Ų042 Ų420%022%0.216CC..Hα-helixtrans-63.8-45.6-179.4-69.8175.3000112.4F38 V53 I68 F70 I104 F105 Q111 L112 L113F38-L109 HydrophobicContact CD2-CD1 4.31Å; F38-L109 HydrophobicContact CE1-CB 4.43Å; F38-L109 HydrophobicContact CE2-CB 3.86Å; F38-L109 HydrophobicContact CE2-CD1 4.37Å; F38-L109 HydrophobicContact CZ-CB 3.76Å; V53-L109 HydrophobicContact CG1-CD1 4.18Å; V53-L109 HydrophobicContact CG2-CD1 4.48Å; I68-L109 HydrophobicContact CG2-CD2 4.4Å; F70-L109 HydrophobicContact CE2-CD2 4.11Å; F70-L109 HydrophobicContact CZ-CD2 4.18Å; I104-L109 HydrophobicContact CG2-CD1 4.11Å; I104-L109 HydrophobicContact CG2-CG 4.2Å; I104-L109 WeakPolarHBondContact O-CB 3.47Å; I104-L109 WeakPolarHBondContact O-CG 3.42Å; I104-L109 PolarHBondContact O-N 3.44Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 4.01Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-L113 WeakPolarHBondContact O-CD1 3.35Å; L109-L113 PolarHBondContact O-N 3.38Å
110P98.1Very high94.5Very high24 Ų2447 Ų4716%0.15625%0.246CC..Hα-helixtrans-55.9-44.1173.6-3037.3000114F38 P41 F105 S107 A114F38-P110 HydrophobicContact CE2-CG 4.19Å; F38-P110 HydrophobicContact CZ-CG 4.37Å; P41-P110 HydrophobicContact CB-CB 4.15Å; P41-P110 HydrophobicContact CG-CB 4.48Å; F105-P110 VanDerWaalsContact O-CD 3.3Å; F105-P110 WeakPolarHBondContact O-CD 3.17Å; F105-P110 VanDerWaalsContact O-CG 3.26Å; F105-P110 WeakPolarHBondContact O-CG 3.45Å; S107-P110 WeakPolarHBondContact O-CD 3.42Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.03Å; P110-A114 VanDerWaalsContact O-N 3.07Å
111Q97.2Very high94.5Very high110 Ų11046.8 Ų46.851%0.51425%0.247SC..Hα-helixtrans-68.9-39.9178.6-71.4-59.1-58.700112.1S107 F108 L109 A114 Y115S107-Q111 WeakPolarHBondContact O-CB 3.37Å; S107-Q111 VanDerWaalsContact O-CG 3.24Å; S107-Q111 WeakPolarHBondContact O-CG 3.32Å; S107-Q111 PolarHBondContact O-N 2.78Å; F108-Q111 PolarHBondContact O-N 3.45Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-Q111 PolarHBondContact O-N 2.85Å; Q111-A114 PolarHBondContact O-N 3.29Å; Q111-Y115 PolarHBondContact O-N 2.92Å
112L97.2Very high94.5Very high11 Ų1150.5 Ų50.56%0.05827%0.266CS..Hα-helixtrans-60.6-47.5176.9-17959.1000111.2H76 N78 V86 V90 F108 L109 A114 Y115H76-L112 PolarHBondContact NE2-O 3.07Å; N78-L112 HydrophobicContact CB-CD1 4.21Å; V86-L112 HydrophobicContact CG1-CD2 3.79Å; V90-L112 HydrophobicContact CG1-CD1 3.75Å; V90-L112 HydrophobicContact CG1-CD2 4.45Å; F108-L112 HydrophobicContact CE1-CD2 4.29Å; F108-L112 HydrophobicContact CZ-CD2 4.08Å; F108-L112 VanDerWaalsContact O-CB 3.32Å; F108-L112 WeakPolarHBondContact O-CB 3.49Å; F108-L112 PolarHBondContact O-N 3.32Å; L109-L112 PolarHBondContact O-N 3.31Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.39Å; L112-Y115 CarbonylContact O-C 3.57Å; L112-Y115 VanDerWaalsContact O-C 3.28Å; L112-Y115 PolarHBondContact O-N 2.98Å
113L97.7Very high94.5Very high2 Ų250.3 Ų50.31%0.0126%0.264CS..Hα-helixtrans-66.1-33.6178.7-92.761.8000112.6F38 P41 Y46 F70 I74 L109F38-L113 HydrophobicContact CE1-CD2 3.78Å; F38-L113 HydrophobicContact CZ-CD2 4.3Å; P41-L113 HydrophobicContact CG-CB 3.97Å; P41-L113 HydrophobicContact CG-CD2 4.29Å; Y46-L113 HydrophobicContact CD1-CD2 4.03Å; Y46-L113 HydrophobicContact CD1-CG 4.24Å; Y46-L113 HydrophobicContact CD2-CB 3.7Å; Y46-L113 HydrophobicContact CD2-CD2 4Å; Y46-L113 HydrophobicContact CD2-CG 3.77Å; Y46-L113 HydrophobicContact CE1-CG 4.41Å; Y46-L113 HydrophobicContact CE2-CB 3.99Å; Y46-L113 HydrophobicContact CE2-CG 3.97Å; Y46-L113 VanDerWaalsContact CE2-O 3.22Å; Y46-L113 WeakPolarHBondContact CE2-O 3.26Å; Y46-L113 HydrophobicContact CG-CB 4.27Å; Y46-L113 HydrophobicContact CG-CD2 3.68Å; Y46-L113 HydrophobicContact CG-CG 3.93Å; F70-L113 HydrophobicContact CZ-CD1 4.38Å; I74-L113 HydrophobicContact CD1-CD1 4.49Å; I74-L113 HydrophobicContact CD1-CD2 4.36Å; L109-L113 WeakPolarHBondContact O-CD1 3.35Å; L109-L113 PolarHBondContact O-N 3.38Å
114A96.4Very high94.5Very high30 Ų3049.6 Ų49.625%0.24827%0.271CS..Hα-helixtrans-73.2-40176.400000112.3T44 P110 Q111 L112T44-A114 HydrophobicContact CG2-CB 3.88Å; P110-A114 WeakPolarHBondContact O-CB 3.4Å; P110-A114 PolarHBondContact O-N 3.03Å; P110-A114 VanDerWaalsContact O-N 3.07Å; Q111-A114 PolarHBondContact O-N 3.29Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.39Å
115Y94.6Very high94.5Very high161 Ų16154.3 Ų54.363%0.63130%0.296SS*.SBendtrans-133.280.9-173.3-54.7-71.7000110.9Q111 L112Q111-Y115 PolarHBondContact O-N 2.92Å; L112-Y115 CarbonylContact O-C 3.57Å; L112-Y115 VanDerWaalsContact O-C 3.28Å; L112-Y115 PolarHBondContact O-N 2.98Å
116P92.8Very high94.4Very high9 Ų954 Ų546%0.05830%0.295CS..  trans-59.5145.4176.5-21.331000111.7P77 P118 Y130P77-P116 HydrophobicContact CB-CB 4.05Å; P77-P116 HydrophobicContact CG-CB 3.64Å; P77-P116 HydrophobicContact CG-CG 4.15Å; P116-P118 VanDerWaalsContact O-CD 3.3Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P116-Y130 HydrophobicContact CB-CE1 4.39Å; P116-Y130 HydrophobicContact CG-CD2 4.26Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 4.07Å
117N88.6Confident94.5Very high41 Ų4150.1 Ų50.122%0.21928%0.277CS..  trans-84.6112.6169.1-176.2-9.7000109.2N78 I119N78-N117 PolarHBondContact ND2-O 2.87Å; N78-N117 PolarHBondContact OD1-N 2.87Å; N78-N117 PolarHBondContact OD1-O 2.85Å; N117-I119 VanDerWaalsContact C-N 3.28Å; N117-I119 PolarHBondContact O-N 3Å; N117-I119 WeakPolarHBondContact OD1-CB 3.27Å; N117-I119 PolarHBondContact OD1-N 2.84Å
118P81.5Confident94.4Very high52 Ų5249.3 Ų49.334%0.33827%0.274SS..  trans-80.3-5-176.833.2-35.7000114.1P116 L131P116-P118 VanDerWaalsContact O-CD 3.3Å; P116-P118 WeakPolarHBondContact O-CD 3.49Å; P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.89Å; P118-L131 HydrophobicContact CB-CG 4.17Å; P118-L131 HydrophobicContact CG-CD2 4.3Å
119I84.9Confident94.4Very high119 Ų11949.9 Ų49.961%0.6128%0.277SS*.SBendtrans-82.8128.1-179.9-55.4174.8000108.7N117N117-I119 VanDerWaalsContact C-N 3.28Å; N117-I119 PolarHBondContact O-N 3Å; N117-I119 WeakPolarHBondContact OD1-CB 3.27Å; N117-I119 PolarHBondContact OD1-N 2.84Å
120D87.8Confident94.3Very high142 Ų14253.3 Ų53.376%0.75929%0.291SS*.SBendtrans46.262.6-179.5-61.7-31.6000113.9
121P94Very high94.2Very high46 Ų4656.6 Ų56.630%0.29931%0.307SS..  trans-70.4147.2-175.932-37000112.1P77 A127P77-P121 HydrophobicContact CB-CB 4.34Å; P77-P121 CarbonylContact O-C 3.55Å; P77-P121 WeakPolarHBondContact O-CA 3.42Å; P77-P121 WeakPolarHBondContact O-CB 3.22Å; P121-A127 HydrophobicContact CB-CB 3.56Å; P121-A127 HydrophobicContact CG-CB 3.53Å
122L95.9Very high94.2Very high78 Ų7858.3 Ų58.341%0.40831%0.314SS..SBendtrans-74.6-32.9168-66.2-175.8000111.3P77 D80 C87P77-L122 PolarHBondContact O-N 2.84Å; D80-L122 HydrophobicContact CB-CB 4.39Å; D80-L122 HydrophobicContact CB-CD1 4.23Å; C87-L122 HydrophobicContact CB-CD1 3.73Å; C87-L122 HydrophobicContact CB-CG 4.04Å
123N97Very high94.2Very high10 Ų1062.6 Ų62.65%0.05333%0.33CS..  trans-112.395.2174.3-170.3-30.6000110H76 P77 E81 D125 A126 A127H76-N123 WeakPolarHBondContact O-CB 3.35Å; P77-N123 PolarHBondContact O-N 3.08Å; E81-N123 PolarHBondContact OE2-ND2 2.84Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.46Å; N123-D125 PolarHBondContact OD1-N 3.31Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 PolarHBondContact O-N 2.92Å; N123-A126 PolarHBondContact OD1-N 2.61Å; N123-A127 PolarHBondContact O-N 3.14Å
124G96.7Very high94.1Very high42 Ų4265.6 Ų65.643%0.43335%0.349SS..Hα-helixtrans-61.8-35.3179.800000113.4A127 A128G124-A127 PolarHBondContact O-N 2.97Å; G124-A128 WeakPolarHBondContact O-CB 3.33Å; G124-A128 PolarHBondContact O-N 3.01Å
125D96.4Very high94.1Very high102 Ų10270 Ų7055%0.54537%0.365SS..Hα-helixtrans-66-45.6177.6-73.5-9.5000111.1F75 N123 A127 A128 M129F75-D125 HydrophobicContact CE2-CB 4.35Å; F75-D125 HydrophobicContact CZ-CB 4.25Å; N123-D125 VanDerWaalsContact C-N 3.3Å; N123-D125 PolarHBondContact O-N 3.46Å; N123-D125 PolarHBondContact OD1-N 3.31Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A128 PolarHBondContact O-N 3.16Å; D125-M129 WeakPolarHBondContact O-CB 3.4Å; D125-M129 WeakPolarHBondContact O-CG 3.47Å; D125-M129 PolarHBondContact O-N 3.49Å
126A97.1Very high94.3Very high0 Ų067 Ų670%036%0.356CS..Hα-helixtrans-62-43176.400000111.3F75 P77 N123 M129 Y130 Y137F75-A126 HydrophobicContact CD1-CB 4.06Å; F75-A126 HydrophobicContact CD2-CB 4.27Å; F75-A126 HydrophobicContact CE1-CB 3.63Å; F75-A126 HydrophobicContact CE2-CB 3.83Å; F75-A126 HydrophobicContact CG-CB 4.37Å; F75-A126 HydrophobicContact CZ-CB 3.51Å; P77-A126 HydrophobicContact CG-CB 4.11Å; N123-A126 HydrophobicContact CB-CB 3.87Å; N123-A126 PolarHBondContact O-N 2.92Å; N123-A126 PolarHBondContact OD1-N 2.61Å; A126-M129 PolarHBondContact O-N 3.44Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.26Å; A126-Y130 PolarHBondContact O-N 2.85Å; A126-Y137 HydrophobicContact CB-CE2 4.25Å
127A97Very high94.5Very high6 Ų667 Ų675%0.0536%0.355CS..Hα-helixtrans-63.9-45.2177.300000112.4P77 P121 N123 G124 D125 M129 Y130 L131P77-A127 HydrophobicContact CB-CB 4.09Å; P77-A127 HydrophobicContact CG-CB 4.48Å; P121-A127 HydrophobicContact CB-CB 3.56Å; P121-A127 HydrophobicContact CG-CB 3.53Å; N123-A127 PolarHBondContact O-N 3.14Å; G124-A127 PolarHBondContact O-N 2.97Å; D125-A127 VanDerWaalsContact C-N 3.34Å; A127-M129 PolarHBondContact O-N 2.97Å; A127-Y130 PolarHBondContact O-N 3.43Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.3Å
128A96.6Very high95Very high37 Ų3768.9 Ų68.931%0.30636%0.362SS..Hα-helixtrans-63.6-40.5178.200000111.9G124 D125 H132G124-A128 WeakPolarHBondContact O-CB 3.33Å; G124-A128 PolarHBondContact O-N 3.01Å; D125-A128 PolarHBondContact O-N 3.16Å; A128-H132 WeakPolarHBondContact O-CB 3.36Å; A128-H132 PolarHBondContact O-CD2 3.44Å; A128-H132 PolarHBondContact O-N 3.41Å
129M97.3Very high95.7Very high25 Ų2571.1 Ų71.112%0.12337%0.367CS..Hα-helixtrans-66.5-44.5173.7-70.1-179.2-179.700111.4F75 D125 A126 A127 L131 R133 Y137 K140F75-M129 HydrophobicContact CE1-SD 3.87Å; F75-M129 HydrophobicContact CZ-SD 3.89Å; D125-M129 WeakPolarHBondContact O-CB 3.4Å; D125-M129 WeakPolarHBondContact O-CG 3.47Å; D125-M129 PolarHBondContact O-N 3.49Å; A126-M129 PolarHBondContact O-N 3.44Å; A127-M129 PolarHBondContact O-N 2.97Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.37Å; M129-R133 CarbonylContact O-C 2.89Å; M129-R133 VanDerWaalsContact O-CA 3.26Å; M129-R133 WeakPolarHBondContact O-CA 3.43Å; M129-R133 PolarHBondContact O-N 3.41Å; M129-Y137 HydrophobicContact CB-CD2 4.16Å; M129-Y137 HydrophobicContact CB-CG 4.49Å; M129-K140 HydrophobicContact CE-CD 3.98Å; M129-K140 HydrophobicContact SD-CD 3.75Å
130Y96.3Very high96.4Very high73 Ų7367.4 Ų67.429%0.28635%0.347SS..Hα-helixtrans-57.5-44178.3174.9-110.8000112.4P116 A126 A127 Y137P116-Y130 HydrophobicContact CB-CE1 4.39Å; P116-Y130 HydrophobicContact CG-CD2 4.26Å; P116-Y130 HydrophobicContact CG-CE1 4.49Å; P116-Y130 HydrophobicContact CG-CE2 4.07Å; A126-Y130 VanDerWaalsContact O-CB 3.25Å; A126-Y130 WeakPolarHBondContact O-CB 3.26Å; A126-Y130 PolarHBondContact O-N 2.85Å; A127-Y130 PolarHBondContact O-N 3.43Å; Y130-Y137 HydrophobicContact CD2-CD1 4.07Å; Y130-Y137 AromaticContact CD2-CE1 3.76Å; Y130-Y137 HydrophobicContact CD2-CE1 3.76Å
131L95.6Very high96.9Very high93 Ų9360.8 Ų60.849%0.48731%0.311SS..Hα-helixtrans-78.6-38.3-177.6-68.9175.4000114.1P118 A127 M129P118-L131 HydrophobicContact CB-CD1 4.05Å; P118-L131 HydrophobicContact CB-CD2 3.89Å; P118-L131 HydrophobicContact CB-CG 4.17Å; P118-L131 HydrophobicContact CG-CD2 4.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 3.3Å; M129-L131 VanDerWaalsContact C-N 3.33Å; M129-L131 PolarHBondContact O-N 3.37Å
132H96.9Very high97Very high146 Ų14664.3 Ų64.368%0.67632%0.322SS*.Hα-helixtrans-113-21.5-168.2-57.2-56000114A128A128-H132 WeakPolarHBondContact O-CB 3.36Å; A128-H132 PolarHBondContact O-CD2 3.44Å; A128-H132 PolarHBondContact O-N 3.41Å
133R96.9Very high97.1Very high101 Ų10165.6 Ų65.638%0.38133%0.326SS..  trans-142.362.5-172-62.1174.7-69.1160.6-10.5110.9M129 E135 E136 Y137M129-R133 CarbonylContact O-C 2.89Å; M129-R133 VanDerWaalsContact O-CA 3.26Å; M129-R133 WeakPolarHBondContact O-CA 3.43Å; M129-R133 PolarHBondContact O-N 3.41Å; R133-E135 VanDerWaalsContact C-N 3.25Å; R133-E135 PolarHBondContact O-N 3.43Å; R133-E136 HydrophobicContact CB-CB 4.04Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.5Å; R133-E136 IonicContact NE-OE2 3.67Å; R133-E136 IonicContact NH1-OE2 2.75Å; R133-E136 PolarHBondContact NH1-OE2 2.82Å; R133-E136 PolarHBondContact O-N 2.77Å; R133-E136 VanDerWaalsContact O-N 3.1Å; R133-Y137 PolarHBondContact O-N 2.86Å
134P95.3Very high97.2Very high64 Ų6466.9 Ų66.942%0.41633%0.33SS..Hα-helixtrans-62.2-29.2-170.724.3-35.1000113.7K138P134-K138 VanDerWaalsContact O-CG 3.27Å; P134-K138 WeakPolarHBondContact O-CG 3.48Å; P134-K138 PolarHBondContact O-N 3.24Å; P134-K138 VanDerWaalsContact O-N 3.09Å
135E97.4Very high97.3Very high124 Ų12465.4 Ų65.458%0.57931%0.312SS*.Hα-helixtrans-73.3-39.7175.9-61-51.3130.800112.3R133 Y137 K138 Q139R133-E135 VanDerWaalsContact C-N 3.25Å; R133-E135 PolarHBondContact O-N 3.43Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.09Å; E135-K138 PolarHBondContact O-N 3.02Å; E135-K138 IonicContact OE1-NZ 2.87Å; E135-K138 PolarHBondContact OE1-NZ 2.93Å; E135-K138 IonicContact OE2-NZ 3.14Å; E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 2.79Å
136E97.9Very high97.3Very high98 Ų9867.3 Ų67.346%0.45832%0.318SS..Hα-helixtrans-64.7-38.5172.6-69.1179.3-152.400111.3R133 Q139 K140R133-E136 HydrophobicContact CB-CB 4.04Å; R133-E136 HydrophobicContact CB-CG 4.26Å; R133-E136 WeakPolarHBondContact CD-OE2 3.33Å; R133-E136 IonicContact CZ-OE2 3.5Å; R133-E136 IonicContact NE-OE2 3.67Å; R133-E136 IonicContact NH1-OE2 2.75Å; R133-E136 PolarHBondContact NH1-OE2 2.82Å; R133-E136 PolarHBondContact O-N 2.77Å; R133-E136 VanDerWaalsContact O-N 3.1Å; E136-Q139 PolarHBondContact O-N 3.42Å; E136-K140 WeakPolarHBondContact O-CB 3.22Å; E136-K140 PolarHBondContact O-N 2.56Å
137Y97.9Very high97.3Very high8 Ų873.9 Ų73.93%0.03135%0.347CS..Hα-helixtrans-57.7-50.6174.5178.9-113.1000111.4Y46 F75 P77 A126 M129 Y130 R133 E135 Q139 K140 I141Y46-Y137 PolarHBondContact OH-OH 3.15Å; F75-Y137 HydrophobicContact CD1-CD2 4.2Å; F75-Y137 HydrophobicContact CD1-CE2 4.16Å; F75-Y137 AromaticContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CD2 3.93Å; F75-Y137 HydrophobicContact CE1-CE2 4.18Å; P77-Y137 VanDerWaalsContact CD-OH 3.3Å; P77-Y137 WeakPolarHBondContact CD-OH 3.47Å; A126-Y137 HydrophobicContact CB-CE2 4.25Å; M129-Y137 HydrophobicContact CB-CD2 4.16Å; M129-Y137 HydrophobicContact CB-CG 4.49Å; Y130-Y137 HydrophobicContact CD2-CD1 4.07Å; Y130-Y137 AromaticContact CD2-CE1 3.76Å; Y130-Y137 HydrophobicContact CD2-CE1 3.76Å; R133-Y137 PolarHBondContact O-N 2.86Å; E135-Y137 VanDerWaalsContact C-N 3.32Å; E135-Y137 PolarHBondContact O-N 3.09Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Y137-K140 PolarHBondContact O-N 3Å; Y137-I141 HydrophobicContact CD1-CD1 3.81Å; Y137-I141 HydrophobicContact CD2-CD1 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.43Å; Y137-I141 VanDerWaalsContact CE1-CD1 3.43Å; Y137-I141 HydrophobicContact CE2-CD1 3.72Å; Y137-I141 HydrophobicContact CE2-CG1 4.41Å; Y137-I141 HydrophobicContact CG-CD1 4.15Å; Y137-I141 WeakPolarHBondContact O-CG1 3.33Å; Y137-I141 PolarHBondContact O-N 3.15Å
138K97.8Very high97.3Very high81 Ų8176 Ų7635%0.35235%0.353SS..Hα-helixtrans-59.2-44.1176.5-71.1167.8-171.9170.90111.9P45 P134 E135 I141 K142P45-K138 HydrophobicContact CB-CB 4.49Å; P45-K138 HydrophobicContact CB-CG 4.16Å; P45-K138 HydrophobicContact CG-CG 3.87Å; P134-K138 VanDerWaalsContact O-CG 3.27Å; P134-K138 WeakPolarHBondContact O-CG 3.48Å; P134-K138 PolarHBondContact O-N 3.24Å; P134-K138 VanDerWaalsContact O-N 3.09Å; E135-K138 PolarHBondContact O-N 3.02Å; E135-K138 IonicContact OE1-NZ 2.87Å; E135-K138 PolarHBondContact OE1-NZ 2.93Å; E135-K138 IonicContact OE2-NZ 3.14Å; K138-I141 PolarHBondContact O-N 2.79Å; K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.39Å; K138-K142 VanDerWaalsContact O-N 3.09Å
139Q98.1Very high97.3Very high98 Ų9874.2 Ų74.246%0.45834%0.339SS..Hα-helixtrans-65.1-45.7-179-178.456.92900111.6E135 E136 Y137 I141 K142 E143E135-Q139 WeakPolarHBondContact O-CB 3.36Å; E135-Q139 PolarHBondContact O-N 2.79Å; E136-Q139 PolarHBondContact O-N 3.42Å; Y137-Q139 VanDerWaalsContact C-N 3.33Å; Y137-Q139 PolarHBondContact O-N 2.81Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 3.23Å; Q139-K142 WeakPolarHBondContact O-CB 3.35Å; Q139-K142 PolarHBondContact O-N 3.43Å; Q139-K142 VanDerWaalsContact O-N 3.16Å; Q139-E143 PolarHBondContact NE2-OE1 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.94Å
140K98.1Very high97.3Very high42 Ų4274 Ų7418%0.18334%0.339CS..Hα-helixtrans-62.1-39.4177.1-172.9166.1177.4-173.70111.9F75 M129 E136 Y137 E143 Y144F75-K140 HydrophobicContact CD1-CB 4.42Å; F75-K140 HydrophobicContact CD1-CD 4.03Å; F75-K140 HydrophobicContact CD1-CG 4.02Å; F75-K140 HydrophobicContact CD2-CD 4.37Å; F75-K140 HydrophobicContact CE1-CB 4.41Å; F75-K140 HydrophobicContact CE1-CD 3.62Å; F75-K140 HydrophobicContact CE1-CG 4.08Å; F75-K140 HydrophobicContact CE2-CD 4.03Å; F75-K140 VanDerWaalsContact CE2-CE 3.48Å; F75-K140 HydrophobicContact CG-CD 4.38Å; F75-K140 HydrophobicContact CG-CG 4.36Å; F75-K140 HydrophobicContact CZ-CD 3.61Å; F75-K140 HydrophobicContact CZ-CG 4.49Å; M129-K140 HydrophobicContact CE-CD 3.98Å; M129-K140 HydrophobicContact SD-CD 3.75Å; E136-K140 WeakPolarHBondContact O-CB 3.22Å; E136-K140 PolarHBondContact O-N 2.56Å; Y137-K140 PolarHBondContact O-N 3Å; K140-E143 PolarHBondContact O-N 3.16Å; K140-Y144 HydrophobicContact CD-CE2 4.42Å; K140-Y144 HydrophobicContact CG-CD2 4.06Å; K140-Y144 HydrophobicContact CG-CE2 3.87Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3.16Å
141I98.3Very high97.2Very high3 Ų373.5 Ų73.52%0.01534%0.339CS..Hα-helixtrans-61.7-45.1174.3-69.4166.2000111.1P45 Y46 F75 Y137 K138 Q139 E143 Y144 I145P45-I141 HydrophobicContact CB-CB 4.28Å; P45-I141 HydrophobicContact CB-CD1 3.77Å; P45-I141 HydrophobicContact CB-CG2 4.13Å; P45-I141 HydrophobicContact CG-CD1 4.37Å; P45-I141 VanDerWaalsContact O-CG2 3.27Å; P45-I141 WeakPolarHBondContact O-CG2 3.41Å; Y46-I141 HydrophobicContact CD1-CG2 3.74Å; Y46-I141 HydrophobicContact CE1-CD1 3.96Å; Y46-I141 HydrophobicContact CE1-CG1 4.17Å; Y46-I141 HydrophobicContact CE1-CG2 3.86Å; Y46-I141 HydrophobicContact CE2-CD1 3.98Å; Y46-I141 HydrophobicContact CG-CG2 4.27Å; Y46-I141 WeakPolarHBondContact OH-CD1 3.32Å; F75-I141 HydrophobicContact CB-CG1 4.46Å; F75-I141 HydrophobicContact CD1-CG1 4.2Å; Y137-I141 HydrophobicContact CD1-CD1 3.81Å; Y137-I141 HydrophobicContact CD2-CD1 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.43Å; Y137-I141 VanDerWaalsContact CE1-CD1 3.43Å; Y137-I141 HydrophobicContact CE2-CD1 3.72Å; Y137-I141 HydrophobicContact CE2-CG1 4.41Å; Y137-I141 HydrophobicContact CG-CD1 4.15Å; Y137-I141 WeakPolarHBondContact O-CG1 3.33Å; Y137-I141 PolarHBondContact O-N 3.15Å; K138-I141 PolarHBondContact O-N 2.79Å; Q139-I141 VanDerWaalsContact C-N 3.32Å; Q139-I141 PolarHBondContact O-N 3.23Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.83Å; I141-Y144 WeakPolarHBondContact O-CB 3.48Å; I141-Y144 PolarHBondContact O-N 3.29Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 3.48Å
142K97.7Very high97.1Very high120 Ų12074.8 Ų74.852%0.52234%0.343SS..Hα-helixtrans-59.7-41.5177.2-72.4178.3179.6-177.10112.2K138 Q139 Y144 I145 Q146K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.39Å; K138-K142 VanDerWaalsContact O-N 3.09Å; Q139-K142 WeakPolarHBondContact O-CB 3.35Å; Q139-K142 PolarHBondContact O-N 3.43Å; Q139-K142 VanDerWaalsContact O-N 3.16Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; K142-I145 PolarHBondContact O-N 3.29Å; K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.33Å
143E97.9Very high96.9Very high105 Ų10568.2 Ų68.249%0.49131%0.314SS..Hα-helixtrans-62.8-41.6175.2-70.9167-16500111.8Q139 K140 I141 I145 Q146 K147Q139-E143 PolarHBondContact NE2-OE1 3.29Å; Q139-E143 WeakPolarHBondContact O-CG 3.27Å; Q139-E143 PolarHBondContact O-N 2.94Å; K140-E143 PolarHBondContact O-N 3.16Å; I141-E143 VanDerWaalsContact C-N 3.31Å; I141-E143 PolarHBondContact O-N 2.83Å; E143-I145 VanDerWaalsContact C-N 3.35Å; E143-Q146 PolarHBondContact O-N 2.53Å; E143-K147 WeakPolarHBondContact O-CB 3.21Å; E143-K147 PolarHBondContact O-N 3.1Å; E143-K147 VanDerWaalsContact O-N 3.1Å
144Y97.9Very high96.7Very high37 Ų3763.8 Ų63.815%0.14530%0.298CS..Hα-helixtrans-64.5-40.2175.1-88.4-124.3000111.7K73 F75 E81 K140 I141 K142 K147 Y148K73-Y144 HydrophobicContact CB-CD1 4.45Å; F75-Y144 HydrophobicContact CB-CD1 3.74Å; F75-Y144 HydrophobicContact CB-CD2 4.44Å; F75-Y144 HydrophobicContact CB-CE1 3.9Å; F75-Y144 HydrophobicContact CB-CG 4.01Å; F75-Y144 HydrophobicContact CD2-CE1 4.28Å; F75-Y144 HydrophobicContact CG-CE1 4.48Å; E81-Y144 HydrophobicContact CG-CE1 4.43Å; E81-Y144 WeakPolarHBondContact OE1-CE1 3.44Å; E81-Y144 PolarHBondContact OE1-OH 3.13Å; K140-Y144 HydrophobicContact CD-CE2 4.42Å; K140-Y144 HydrophobicContact CG-CD2 4.06Å; K140-Y144 HydrophobicContact CG-CE2 3.87Å; K140-Y144 WeakPolarHBondContact O-CD2 3.3Å; K140-Y144 PolarHBondContact O-N 3.16Å; I141-Y144 WeakPolarHBondContact O-CB 3.48Å; I141-Y144 PolarHBondContact O-N 3.29Å; I141-Y144 VanDerWaalsContact O-N 3.14Å; K142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-K147 PolarHBondContact O-N 2.98Å; Y144-Y148 AromaticContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CE2 4.11Å; Y144-Y148 HydrophobicContact CE1-CE2 4.35Å; Y144-Y148 HydrophobicContact CG-CD2 4.14Å; Y144-Y148 HydrophobicContact CG-CE2 4.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.3Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.41Å; Y144-Y148 PolarHBondContact O-N 2.91Å
145I98.1Very high96.5Very high10 Ų1066.5 Ų66.55%0.05130%0.303CS..Hα-helixtrans-60.2-53.4177-70.9166.8000110.1P45 W51 I141 K142 E143 K147 Y148 A149 T150P45-I145 WeakPolarHBondContact O-CD1 3.4Å; W51-I145 HydrophobicContact CH2-CD1 4.24Å; W51-I145 HydrophobicContact CH2-CG1 3.94Å; W51-I145 HydrophobicContact CZ2-CG1 3.97Å; I141-I145 HydrophobicContact CG2-CD1 3.86Å; I141-I145 HydrophobicContact CG2-CG1 4.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.09Å; I141-I145 PolarHBondContact O-N 3.48Å; K142-I145 PolarHBondContact O-N 3.29Å; E143-I145 VanDerWaalsContact C-N 3.35Å; I145-K147 PolarHBondContact O-N 3.24Å; I145-Y148 PolarHBondContact O-N 2.89Å; I145-A149 CarbonylContact O-C 3.59Å; I145-A149 VanDerWaalsContact O-C 3.29Å; I145-A149 WeakPolarHBondContact O-CA 3.36Å; I145-A149 PolarHBondContact O-N 3.42Å; I145-T150 WeakPolarHBondContact O-CG2 3.26Å; I145-T150 PolarHBondContact O-N 3.07Å
146Q97.1Very high96Very high143 Ų14367 Ų6767%0.66831%0.305SS*.Hα-helixtrans-59.4-32.2-178.8-69-61.5-39.300112.7K142 E143K142-Q146 WeakPolarHBondContact O-CG 3.36Å; K142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 2.53Å
147K96.8Very high95.1Very high138 Ų13866.4 Ų66.460%0.630%0.303SS*.Hα-helixtrans-88.9-32-176.3-169.4171.9177.4-1720114.3E143 Y144 I145E143-K147 WeakPolarHBondContact O-CB 3.21Å; E143-K147 PolarHBondContact O-N 3.1Å; E143-K147 VanDerWaalsContact O-N 3.1Å; Y144-K147 PolarHBondContact O-N 2.98Å; I145-K147 PolarHBondContact O-N 3.24Å
148Y97.1Very high94.1Very high49 Ų4971.3 Ų71.319%0.19233%0.326CS..Hα-helixtrans-132.2-15.3-166.5-54.2-64.8000114.6N72 K73 Y144 I145N72-Y148 WeakPolarHBondContact CB-O 3.49Å; N72-Y148 PolarHBondContact ND2-O 3.46Å; K73-Y148 HydrophobicContact CB-CD1 4.34Å; K73-Y148 HydrophobicContact CB-CD2 3.81Å; K73-Y148 HydrophobicContact CB-CE2 4.35Å; K73-Y148 HydrophobicContact CB-CG 3.8Å; K73-Y148 HydrophobicContact CD-CD1 4.15Å; K73-Y148 HydrophobicContact CD-CD2 4.22Å; K73-Y148 HydrophobicContact CD-CE1 3.87Å; K73-Y148 HydrophobicContact CD-CE2 3.97Å; K73-Y148 HydrophobicContact CD-CG 4.31Å; K73-Y148 HydrophobicContact CG-CG 4.45Å; Y144-Y148 AromaticContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CD2 3.98Å; Y144-Y148 HydrophobicContact CD1-CE2 4.11Å; Y144-Y148 HydrophobicContact CE1-CE2 4.35Å; Y144-Y148 HydrophobicContact CG-CD2 4.14Å; Y144-Y148 HydrophobicContact CG-CE2 4.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.3Å; Y144-Y148 WeakPolarHBondContact O-CD2 3.41Å; Y144-Y148 PolarHBondContact O-N 2.91Å; I145-Y148 PolarHBondContact O-N 2.89Å
149A97.3Very high93Very high0 Ų074.6 Ų74.60%034%0.343CS..SBendtrans-133.235.8-169.400000112.5G49 V50 W51 I145G49-A149 CarbonylContact C-O 3.54Å; G49-A149 WeakPolarHBondContact CA-O 3.24Å; V50-A149 PolarHBondContact N-O 3.47Å; V50-A149 WeakPolarHBondContact O-CA 3.32Å; V50-A149 WeakPolarHBondContact O-CB 3.34Å; W51-A149 HydrophobicContact CD2-CB 4.08Å; W51-A149 VanDerWaalsContact CE2-CB 3.48Å; W51-A149 HydrophobicContact CG-CB 4.42Å; W51-A149 HydrophobicContact CH2-CB 4.47Å; W51-A149 HydrophobicContact CZ2-CB 3.73Å; I145-A149 CarbonylContact O-C 3.59Å; I145-A149 VanDerWaalsContact O-C 3.29Å; I145-A149 WeakPolarHBondContact O-CA 3.36Å; I145-A149 PolarHBondContact O-N 3.42Å
150T97.1Very high91.1Very high21 Ų2173 Ų7313%0.12935%0.353CS..SBendtrans-101.4161.3164.961.30000110.4I145 E152 A153 L154I145-T150 WeakPolarHBondContact O-CG2 3.26Å; I145-T150 PolarHBondContact O-N 3.07Å; T150-E152 VanDerWaalsContact CB-OE2 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.46Å; T150-E152 PolarHBondContact O-N 3.37Å; T150-E152 PolarHBondContact OG1-OE2 3.41Å; T150-A153 PolarHBondContact O-N 3.03Å; T150-A153 WeakPolarHBondContact OG1-CB 3.44Å; T150-A153 PolarHBondContact OG1-N 3.45Å; T150-A153 VanDerWaalsContact OG1-N 3.12Å; T150-L154 WeakPolarHBondContact O-CG 3.48Å; T150-L154 PolarHBondContact O-N 3.19Å
151E94.5Very high89.1Confident62 Ų6276.7 Ų76.729%0.2938%0.378SS..Hα-helixtrans-59.9-34174.9-65.8-72-177.500111.6K37 V50 K155K37-E151 WeakPolarHBondContact CE-OE1 3.5Å; K37-E151 WeakPolarHBondContact CE-OE2 3.25Å; K37-E151 IonicContact NZ-OE1 2.81Å; K37-E151 PolarHBondContact NZ-OE1 3.28Å; K37-E151 IonicContact NZ-OE2 3.64Å; K37-E151 PolarHBondContact NZ-OE2 2.84Å; V50-E151 HydrophobicContact CG2-CG 4.41Å; E151-K155 WeakPolarHBondContact O-CG 3.38Å; E151-K155 PolarHBondContact O-N 2.93Å
152E93.6Very high86.5Confident120 Ų12079.5 Ų79.556%0.56141%0.408SS*.Hα-helixtrans-66.1-49.3175.5-60.773.2-155.300111.1T150 L154 K155 E156T150-E152 VanDerWaalsContact CB-OE2 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.46Å; T150-E152 PolarHBondContact O-N 3.37Å; T150-E152 PolarHBondContact OG1-OE2 3.41Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.81Å; E152-K155 PolarHBondContact O-N 3.34Å; E152-K155 VanDerWaalsContact O-N 3.12Å; E152-E156 WeakPolarHBondContact O-CG 3.36Å; E152-E156 PolarHBondContact O-N 2.98Å
153A93.3Very high83.6Confident9 Ų979.9 Ų79.97%0.07442%0.416CS..Hα-helixtrans-62.6-33.4179.400000112.4T150 Q157T150-A153 PolarHBondContact O-N 3.03Å; T150-A153 WeakPolarHBondContact OG1-CB 3.44Å; T150-A153 PolarHBondContact OG1-N 3.45Å; T150-A153 VanDerWaalsContact OG1-N 3.12Å; A153-Q157 WeakPolarHBondContact O-CG 3.35Å; A153-Q157 PolarHBondContact O-N 2.98Å
154L92Very high80.9Confident7 Ų780.5 Ų80.54%0.03743%0.432CS..Hα-helixtrans-67.9-36.2175.9-71.2179.8000112.7V50 K52 N72 T150 E152 E158V50-L154 HydrophobicContact CB-CD1 4.07Å; V50-L154 HydrophobicContact CG1-CD1 3.66Å; K52-L154 HydrophobicContact CD-CD2 4.3Å; K52-L154 HydrophobicContact CG-CD2 4.32Å; N72-L154 HydrophobicContact CB-CD2 4.06Å; T150-L154 WeakPolarHBondContact O-CG 3.48Å; T150-L154 PolarHBondContact O-N 3.19Å; E152-L154 VanDerWaalsContact C-N 3.26Å; E152-L154 PolarHBondContact O-N 2.81Å; L154-E158 WeakPolarHBondContact O-CG 3.35Å; L154-E158 PolarHBondContact O-N 3.4Å
155K90Very high78.4Confident121 Ų12183.2 Ų83.253%0.52646%0.456SS..Hα-helixtrans-69.9-44.2176.1-71170.8-176.1174.60111.4E151 E152 Q157 E158 E159E151-K155 WeakPolarHBondContact O-CG 3.38Å; E151-K155 PolarHBondContact O-N 2.93Å; E152-K155 PolarHBondContact O-N 3.34Å; E152-K155 VanDerWaalsContact O-N 3.12Å; K155-Q157 VanDerWaalsContact C-N 3.26Å; K155-Q157 PolarHBondContact O-N 3.22Å; K155-E158 PolarHBondContact O-N 3.41Å; K155-E158 VanDerWaalsContact O-N 3.08Å; K155-E159 PolarHBondContact O-N 2.97Å
156E87.9Confident75.8Confident134 Ų13487.9 Ų87.963%0.62649%0.49SS*.Hα-helixtrans-58.9-37.4177.6-70.2176.6-177.100112.3E152 G160E152-E156 WeakPolarHBondContact O-CG 3.36Å; E152-E156 PolarHBondContact O-N 2.98Å; E156-G160 PolarHBondContact O-N 3.41Å
157Q78.8Confident73.2Confident87 Ų8789.3 Ų89.341%0.40750%0.496SS..Hα-helixtrans-69.2-33.9175.6-76.2-169-15.300113.5A153 K155 T161A153-Q157 WeakPolarHBondContact O-CG 3.35Å; A153-Q157 PolarHBondContact O-N 2.98Å; K155-Q157 VanDerWaalsContact C-N 3.26Å; K155-Q157 PolarHBondContact O-N 3.22Å; Q157-T161 PolarHBondContact O-N 2.88Å; Q157-T161 PolarHBondContact O-OG1 3.04Å
158E77.9Confident70.6Confident111 Ų11188.1 Ų88.152%0.51951%0.506SS..Hα-helixtrans-70.4-41.1175.3-73.1179.9158.900111.5K52 L154 K155 T161K52-E158 VanDerWaalsContact NZ-CG 3.27Å; K52-E158 IonicContact NZ-OE1 2.62Å; K52-E158 PolarHBondContact NZ-OE1 3.47Å; L154-E158 WeakPolarHBondContact O-CG 3.35Å; L154-E158 PolarHBondContact O-N 3.4Å; K155-E158 PolarHBondContact O-N 3.41Å; K155-E158 VanDerWaalsContact O-N 3.08Å; E158-T161 PolarHBondContact O-N 2.76Å; E158-T161 PolarHBondContact O-OG1 2.75Å
159E72.9Confident68.1Low150 Ų15091.3 Ų91.370%0.70154%0.535SS*.Hα-helixtrans-69.9-39.3178.8-69179.2177.200111.7K155 T161 G162K155-E159 PolarHBondContact O-N 2.97Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.44Å; E159-G162 PolarHBondContact O-N 3.03Å
160G59.1Low66Low65 Ų6599.5 Ų99.567%0.6758%0.576SS**Hα-helixtrans-70.6-13.9178.400000115.4E156E156-G160 PolarHBondContact O-N 3.41Å
161T55.1Low63.6Low118 Ų118103.7 Ų103.772%0.72461%0.605SS**THydrogen-bonded Turntrans-95.8-7175.238.40000113.4Q157 E158 E159Q157-T161 PolarHBondContact O-N 2.88Å; Q157-T161 PolarHBondContact O-OG1 3.04Å; E158-T161 PolarHBondContact O-N 2.76Å; E158-T161 PolarHBondContact O-OG1 2.75Å; E159-T161 VanDerWaalsContact C-N 3.26Å; E159-T161 PolarHBondContact O-N 3.44Å
162G44.1Very low61.3Low62 Ų62108.1 Ų108.164%0.63963%0.631SS**SBendtrans-85.7-6.1-178.600000116.5E159E159-G162 PolarHBondContact O-N 3.03Å
163D37.1Very low59Low129 Ų129110.5 Ų110.569%0.6964%0.64SS**  trans-125.351.1-170.4-162.426.2000114.4
164S42.2Very low56.9Low117 Ų117115 Ų11582%0.81867%0.671SS**SBendtrans-129.544.6165.6-177.90000111.5
165S45.3Very low54.9Low94 Ų94122.1 Ų122.166%0.65770%0.704SS**SBendtrans-158.7120.5159.255.10000110.7
166S43.5Very low53Low109 Ų109124.3 Ų124.376%0.76272%0.721SS**  trans82.987.3167.967.90000119.1
167E41Very low51.2Low172 Ų172126.5 Ų126.580%0.80473%0.732SS**  -148.496.6117.747.5-168.1112.300111.6S169E167-S169 PolarHBondContact O-N 2.91Å
168S43.8Very low49.9Very low114 Ų114126.5 Ų126.580%0.79775%0.746SS**  trans-65.9109.9158.6-41.50000108.3
169S43.8Very low48.3Very low116 Ų116130.6 Ų130.681%0.81177%0.765SS**  trans-96.990.7157.9-88.70000109.4E167E167-S169 PolarHBondContact O-N 2.91Å
170M53.2Low47Very low172 Ų172129.5 Ų129.585%0.84777%0.765SS**  trans-69.7144.2144.1-57.5-165.9170.900105.8
171S45.7Very low46.4Very low108 Ų108133.7 Ų133.776%0.75577%0.768SS**  cis-174.2140.328.343.10000106.7
172D46.6Very low46.3Very low155 Ų155137 Ų13783%0.82978%0.776SS**  trans-126.997.2156.1-165.134.7000108
173F45.8Very low46Very low170 Ų170146 Ų14675%0.74681%0.808SS**  trans-119.4102.6174.3-147.6-92000105.2E175F173-E175 HydrophobicContact CD1-CG 4.26Å; F173-E175 HydrophobicContact CE1-CG 3.77Å; F173-E175 WeakPolarHBondContact CE1-OE2 3.42Å
174S50.2Low46.4Very low103 Ų103146.9 Ų146.972%0.7281%0.814SS**  trans-121.593.7164.459.80000107.9
175E48.9Very low46.6Very low158 Ų158148.5 Ų148.574%0.73881%0.814SS**  trans-73.5125.5154.4-80171.4136.500107.7F173F173-E175 HydrophobicContact CD1-CG 4.26Å; F173-E175 HydrophobicContact CE1-CG 3.77Å; F173-E175 WeakPolarHBondContact CE1-OE2 3.42Å
176D51.1Low46.7Very low166 Ų166151.5 Ų151.589%0.88882%0.823SS**  trans-133.898.4156.6-147.5-80.5000106.8
177E49.5Very low46.9Very low181 Ų181154 Ų15485%0.84683%0.826SS**  trans-81.3124.9170.4-95.2-155.8118.200110.2
178A51.6Low47.3Very low86 Ų86152.9 Ų152.971%0.71183%0.827SS**  trans41.4114.4137.100000120.8
179Q44.1Very low47.5Very low197 Ų197155.5 Ų155.592%0.92183%0.83SS**  trans-155.9148.9138.4-96.1163.629.100106
180D45.2Very low47.8Very low128 Ų128158.3 Ų158.368%0.68483%0.831SS**  cis-169.9157.9-16.2-171.39.3000104.3
181M47.7Very low47.3Very low152 Ų152157.2 Ų157.275%0.74983%0.83SS**  trans10.8126167-80.4174.9-88.500122.2
182E51.3Low47.5Very low188 Ų188161.3 Ų161.388%0.87984%0.836SS**  172.6113110.9-94.7-169.1125.200111.5
183L38Very low47.6Very low252 Ų252161.9 Ų161.9100%1.31984%0.836SS**  172.20128.1-90.2169.3000111.1

Retrieved 183 of 183 residues in 87.5 ms (Link to these results)

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