A0A096LUF3_POEFO Loading...

Adenine phosphoribosyltransferase

Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.

AlphaFold DB , UniProt , Accession A0A096LUF3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 181 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
1M44.7Very low84.5Confident242 Ų24280.8 Ų80.8100%1.19248%0.484SS*.  0130.70-68.5-172.2-7700107.4A3M1-A3 PolarHBondContact O-N 2.84Å
2A57Low85.6Confident92 Ų9274.1 Ų74.176%0.7644%0.444SS*.PPolyproline II helixtrans-59138.117300000108.7G4A2-G4 PolarHBondContact O-N 3.47Å
3A71.5Confident86.6Confident55 Ų5576.2 Ų76.246%0.45545%0.446SS..PPolyproline II helixtrans-58.1138.5175.200000109.3M1 K8M1-A3 PolarHBondContact O-N 2.84Å; A3-K8 WeakPolarHBondContact O-CE 3.19Å
4G86.1Confident87.4Confident45 Ų4584 Ų8446%0.46446%0.464SS..PPolyproline II helixtrans-62.4172.7172.300000112A2 E6 G7 K8A2-G4 PolarHBondContact O-N 3.47Å; G4-E6 PolarHBondContact O-N 2.94Å; G4-E6 VanDerWaalsContact O-N 3.12Å; G4-G7 PolarHBondContact O-N 3.46Å; G4-K8 PolarHBondContact O-N 3Å
5P89.3Confident88.1Confident76 Ų7680.9 Ų80.949%0.49445%0.445SS..Hα-helixtrans-51.5-40.7-175.1-28.935.2000113.8K8 L9 L48P5-K8 PolarHBondContact O-N 3.28Å; P5-L9 WeakPolarHBondContact O-CG 3.38Å; P5-L9 PolarHBondContact O-N 3.14Å; P5-L48 HydrophobicContact CB-CD2 4.16Å
6E93.1Very high88.8Confident142 Ų14277.2 Ų77.266%0.66443%0.425SS*.Hα-helixtrans-63.2-43.6177-171.4179.6176.600112.7G4 K8 L9 Q10G4-E6 PolarHBondContact O-N 2.94Å; G4-E6 VanDerWaalsContact O-N 3.12Å; E6-K8 VanDerWaalsContact C-N 3.32Å; E6-K8 PolarHBondContact O-N 3.43Å; E6-L9 PolarHBondContact O-N 3.43Å; E6-Q10 WeakPolarHBondContact O-CG 3.3Å; E6-Q10 PolarHBondContact O-N 3.19Å
7G96.4Very high89.3Confident26 Ų2680.1 Ų80.127%0.26843%0.428SS..Hα-helixtrans-67-34.4177.100000112.5G4 L11G4-G7 PolarHBondContact O-N 3.46Å; G7-L11 VanDerWaalsContact O-CB 3.27Å; G7-L11 WeakPolarHBondContact O-CB 3.48Å; G7-L11 PolarHBondContact O-N 3.31Å
8K97.8Very high89.7Confident19 Ų1978.1 Ų78.18%0.08343%0.425CS..Hα-helixtrans-64.5-45.3171-67.2-177.3-167.8-176.80110.9A3 G4 P5 E6 L11 V12 A44 D47 L48 E51A3-K8 WeakPolarHBondContact O-CE 3.19Å; G4-K8 PolarHBondContact O-N 3Å; P5-K8 PolarHBondContact O-N 3.28Å; E6-K8 VanDerWaalsContact C-N 3.32Å; E6-K8 PolarHBondContact O-N 3.43Å; K8-L11 WeakPolarHBondContact O-CB 3.39Å; K8-L11 PolarHBondContact O-N 3.34Å; K8-V12 WeakPolarHBondContact O-CG2 3.39Å; K8-V12 PolarHBondContact O-N 2.93Å; K8-A44 HydrophobicContact CB-CB 4.01Å; K8-A44 HydrophobicContact CG-CB 4.26Å; K8-D47 HydrophobicContact CD-CB 4.01Å; K8-D47 WeakPolarHBondContact CE-OD2 3.47Å; K8-D47 IonicContact NZ-OD2 2.83Å; K8-D47 PolarHBondContact NZ-OD2 3.39Å; K8-L48 HydrophobicContact CB-CD1 3.79Å; K8-L48 HydrophobicContact CB-CD2 4.09Å; K8-L48 HydrophobicContact CB-CG 3.93Å; K8-L48 HydrophobicContact CD-CD2 4.42Å; K8-L48 HydrophobicContact CD-CG 4.26Å; K8-E51 IonicContact NZ-OE1 2.71Å; K8-E51 PolarHBondContact NZ-OE1 2.92Å
9L97.6Very high90.1Very high56 Ų5678.2 Ų78.229%0.29342%0.421SS..Hα-helixtrans-61.1-46.4177.2-76.9172.4000112.4P5 E6 L11 V12 Q13 L48 L178 L179P5-L9 WeakPolarHBondContact O-CG 3.38Å; P5-L9 PolarHBondContact O-N 3.14Å; E6-L9 PolarHBondContact O-N 3.43Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.28Å; L9-V12 PolarHBondContact O-N 3.02Å; L9-V12 VanDerWaalsContact O-N 3.14Å; L9-Q13 WeakPolarHBondContact O-CB 3.06Å; L9-Q13 PolarHBondContact O-N 3.28Å; L9-L48 HydrophobicContact CD2-CD1 3.71Å; L9-L48 HydrophobicContact CG-CD1 3.94Å; L9-L48 HydrophobicContact CG-CD2 4.27Å; L9-L178 HydrophobicContact CD2-CB 3.97Å; L9-L178 HydrophobicContact CD2-CD2 4.43Å; L9-L178 VanDerWaalsContact CD2-O 3.25Å; L9-L178 WeakPolarHBondContact CD2-O 3.42Å; L9-L179 HydrophobicContact CD2-CD2 4.47Å
10Q97.9Very high90.4Very high108 Ų10879 Ų7951%0.50543%0.431SS..Hα-helixtrans-60.2-39.2175-69.7174.512.300111.8E6 Q13 R14E6-Q10 WeakPolarHBondContact O-CG 3.3Å; E6-Q10 PolarHBondContact O-N 3.19Å; Q10-Q13 PolarHBondContact O-N 2.81Å; Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 2.9Å
11L98Very high90.6Very high28 Ų2879.5 Ų79.515%0.14743%0.433CS..Hα-helixtrans-62.8-40.7174.3170.462.3000112.1G7 K8 L9 R14 H15 A40 A41 A44G7-L11 VanDerWaalsContact O-CB 3.27Å; G7-L11 WeakPolarHBondContact O-CB 3.48Å; G7-L11 PolarHBondContact O-N 3.31Å; K8-L11 WeakPolarHBondContact O-CB 3.39Å; K8-L11 PolarHBondContact O-N 3.34Å; L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.28Å; L11-R14 VanDerWaalsContact CD1-CZ 3.42Å; L11-R14 VanDerWaalsContact CD1-NE 3.28Å; L11-R14 WeakPolarHBondContact O-CG 3.03Å; L11-H15 PolarHBondContact O-ND1 2.87Å; L11-A40 HydrophobicContact CD2-CB 4.14Å; L11-A41 HydrophobicContact CD1-CB 4.41Å; L11-A41 HydrophobicContact CG-CB 4.3Å; L11-A44 HydrophobicContact CD2-CB 3.92Å; L11-A44 HydrophobicContact CG-CB 4.39Å
12V98.3Very high93Very high0 Ų073.3 Ų73.30%040%0.4CS..Hα-helixtrans-67.6-47.7174.6-179.70000110K8 L9 R14 H15 V16 I35 A44 V45 L48 V158 L179K8-V12 WeakPolarHBondContact O-CG2 3.39Å; K8-V12 PolarHBondContact O-N 2.93Å; L9-V12 PolarHBondContact O-N 3.02Å; L9-V12 VanDerWaalsContact O-N 3.14Å; V12-R14 PolarHBondContact O-N 3.41Å; V12-H15 PolarHBondContact O-N 3.48Å; V12-V16 PolarHBondContact O-N 2.81Å; V12-I35 HydrophobicContact CG1-CD1 3.7Å; V12-I35 HydrophobicContact CG1-CG1 4.35Å; V12-A44 HydrophobicContact CG2-CB 3.98Å; V12-V45 HydrophobicContact CB-CG2 4.37Å; V12-V45 HydrophobicContact CG1-CG2 3.72Å; V12-V45 HydrophobicContact CG2-CG2 3.6Å; V12-L48 HydrophobicContact CG2-CD1 4.34Å; V12-V158 HydrophobicContact CG1-CG1 4.11Å; V12-L179 HydrophobicContact CG1-CD1 3.92Å; V12-L179 HydrophobicContact CG1-CG 4.4Å
13Q98.2Very high94.5Very high102 Ų10273.1 Ų73.148%0.47739%0.39SS..Hα-helixtrans-58.8-43.5-176.4-166.3178.815.500113.1L9 Q10 H15 V16 L179L9-Q13 WeakPolarHBondContact O-CB 3.06Å; L9-Q13 PolarHBondContact O-N 3.28Å; Q10-Q13 PolarHBondContact O-N 2.81Å; Q13-H15 PolarHBondContact O-N 3.19Å; Q13-H15 VanDerWaalsContact O-N 3.16Å; Q13-V16 PolarHBondContact O-N 2.53Å; Q13-L179 HydrophobicContact CB-CD1 4.22Å; Q13-L179 HydrophobicContact CB-CD2 3.79Å; Q13-L179 HydrophobicContact CG-CD1 4.46Å; Q13-L179 HydrophobicContact CG-CD2 4.16Å
14R97.9Very high95.4Very high185 Ų18576 Ų7670%0.69839%0.393SS*.THydrogen-bonded Turntrans-66.3-15.3178.774-175.7-172.1176.15.3113.9Q10 L11 V12Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 2.9Å; L11-R14 VanDerWaalsContact CD1-CZ 3.42Å; L11-R14 VanDerWaalsContact CD1-NE 3.28Å; L11-R14 WeakPolarHBondContact O-CG 3.03Å; V12-R14 PolarHBondContact O-N 3.41Å
15H98.3Very high95.9Very high38 Ų3883 Ų8318%0.17641%0.41CS..THydrogen-bonded Turntrans-99.25.3176.3-7087.4000112.8L11 V12 Q13 P34 I35 S38 A41L11-H15 PolarHBondContact O-ND1 2.87Å; V12-H15 PolarHBondContact O-N 3.48Å; Q13-H15 PolarHBondContact O-N 3.19Å; Q13-H15 VanDerWaalsContact O-N 3.16Å; H15-P34 HydrophobicContact CB-CB 4.3Å; H15-P34 PolarHBondContact CD2-O 3.05Å; H15-P34 VanDerWaalsContact O-CB 3.27Å; H15-P34 WeakPolarHBondContact O-CB 3.46Å; H15-P34 WeakPolarHBondContact O-CD 3.29Å; H15-P34 WeakPolarHBondContact O-CG 3.3Å; H15-I35 HydrophobicContact CB-CB 4.44Å; H15-I35 HydrophobicContact CB-CG1 3.63Å; H15-S38 WeakPolarHBondContact NE2-CB 3.49Å; H15-S38 PolarHBondContact NE2-OG 2.71Å; H15-A41 HydrophobicContact CB-CB 4.37Å
16V98Very high96Very high21 Ų2182.7 Ų82.713%0.12742%0.421CS..  trans-87.8119.1167.3-179.50000108.7V12 Q13 R30 I35 I159 L179V12-V16 PolarHBondContact O-N 2.81Å; Q13-V16 PolarHBondContact O-N 2.53Å; V16-R30 HydrophobicContact CG1-CB 3.97Å; V16-I35 HydrophobicContact CG2-CD1 3.96Å; V16-I159 HydrophobicContact CG1-CD1 3.83Å; V16-I159 HydrophobicContact CG2-CD1 3.95Å; V16-L179 HydrophobicContact CG2-CD1 3.57Å
17R97.2Very high95.9Very high126 Ų12679.7 Ų79.748%0.47541%0.409SS..EExtended strand (participates in β ladder)trans-96.9144.3175.4178.3170.557.5163.36.4109.5F19 D31 P34R17-F19 HydrophobicContact CG-CD2 4.38Å; R17-F19 HydrophobicContact CG-CE2 3.95Å; R17-F19 HydrophobicContact CG-CZ 4.38Å; R17-F19 VanDerWaalsContact CZ-CE2 3.45Å; R17-F19 VanDerWaalsContact NE-CZ 3.34Å; R17-D31 HydrophobicContact CB-CB 4.28Å; R17-D31 IonicContact CZ-OD2 2.7Å; R17-D31 VanDerWaalsContact CZ-OD2 3.32Å; R17-D31 PolarHBondContact N-O 3Å; R17-D31 IonicContact NE-OD2 2.73Å; R17-D31 PolarHBondContact NE-OD2 3.24Å; R17-D31 VanDerWaalsContact NE-OD2 3.08Å; R17-D31 IonicContact NH2-OD2 2.69Å; R17-D31 PolarHBondContact NH2-OD2 3.34Å; R17-D31 PolarHBondContact O-N 2.82Å; R17-P34 HydrophobicContact CB-CG 4.13Å
18A96.6Very high95.8Very high45 Ų4582.3 Ų82.337%0.37242%0.416SS..EExtended strand (participates in β ladder)trans-105.9138.9176.700000111L28 F29A18-L28 HydrophobicContact CB-CD1 3.88Å; A18-L28 HydrophobicContact CB-CG 4.29Å; A18-F29 CarbonylContact C-O 3.36Å; A18-F29 WeakPolarHBondContact CA-O 3.29Å
19F97.3Very high95.8Very high79 Ų7984.2 Ų84.235%0.34643%0.425SS..EExtended strand (participates in β ladder)trans-123.7112.8171.8-73.8-84.6000109.7R17 F22 F29 D31R17-F19 HydrophobicContact CG-CD2 4.38Å; R17-F19 HydrophobicContact CG-CE2 3.95Å; R17-F19 HydrophobicContact CG-CZ 4.38Å; R17-F19 VanDerWaalsContact CZ-CE2 3.45Å; R17-F19 VanDerWaalsContact NE-CZ 3.34Å; F19-F22 HydrophobicContact CB-CB 4.4Å; F19-F29 HydrophobicContact CB-CB 4.27Å; F19-F29 PolarHBondContact N-O 3.01Å; F19-F29 PolarHBondContact O-N 2.89Å; F19-D31 HydrophobicContact CD2-CB 3.87Å; F19-D31 HydrophobicContact CE2-CB 3.81Å
20P97.3Very high95.7Very high95 Ų9584 Ų8462%0.61742%0.42SS*.EExtended strand (participates in β ladder)trans-69.1153.7173.830.4-33.9000110.8F22 I27 L28P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 PolarHBondContact O-N 2.99Å; P20-I27 CarbonylContact C-O 3.54Å; P20-L28 HydrophobicContact CB-CD1 4.32Å
21D94.8Very high95.7Very high90 Ų9079.5 Ų79.548%0.48140%0.399SS..THydrogen-bonded Turntrans58.730.8173.8-59.9-42.3000115.2K24 K25 G26 I27D21-K24 CarbonylContact C-O 3.6Å; D21-K24 WeakPolarHBondContact CA-O 3.36Å; D21-K24 CarbonylContact O-C 3.6Å; D21-K25 WeakPolarHBondContact OD1-CA 3.49Å; D21-G26 PolarHBondContact OD1-N 3.08Å; D21-I27 WeakPolarHBondContact CA-O 3.22Å; D21-I27 PolarHBondContact N-O 3Å
22F93.6Very high95.7Very high112 Ų11278.4 Ų78.449%0.49139%0.394SS..  trans-124.8136.3176.1-174.2-86.9000111.7F19 P20 K24 I27 F29F19-F22 HydrophobicContact CB-CB 4.4Å; P20-F22 VanDerWaalsContact C-N 3.27Å; P20-F22 PolarHBondContact O-N 2.99Å; F22-K24 PolarHBondContact N-O 2.88Å; F22-I27 PolarHBondContact N-O 3.41Å; F22-I27 WeakPolarHBondContact O-CB 3.21Å; F22-I27 WeakPolarHBondContact O-CG2 3.37Å; F22-F29 HydrophobicContact CB-CB 4.1Å; F22-F29 HydrophobicContact CD1-CB 3.86Å; F22-F29 HydrophobicContact CD1-CD1 4.19Å; F22-F29 AromaticContact CD1-CD2 3.63Å; F22-F29 HydrophobicContact CD1-CD2 3.63Å; F22-F29 HydrophobicContact CD1-CE2 4.18Å; F22-F29 AromaticContact CD1-CG 3.63Å; F22-F29 HydrophobicContact CD1-CG 3.63Å; F22-F29 HydrophobicContact CE1-CD2 4Å; F22-F29 HydrophobicContact CE1-CE2 4.08Å; F22-F29 HydrophobicContact CE1-CG 4.26Å; F22-F29 HydrophobicContact CE1-CZ 4.41Å; F22-F29 HydrophobicContact CG-CB 4.46Å; F22-F29 WeakPolarHBondContact O-CB 3.43Å
23P90.2Very high95.6Very high87 Ų8781.3 Ų81.357%0.56541%0.413SS*.SBendcis-78.1-3.9-1.733.7-37.2000113.6
24K90.4Very high95.7Very high117 Ų11778 Ų7851%0.50940%0.4SS..SBendtrans-140.5159.9178-60.3179.7-175.6174.70109.4D21 F22 G26 I27D21-K24 CarbonylContact C-O 3.6Å; D21-K24 WeakPolarHBondContact CA-O 3.36Å; D21-K24 CarbonylContact O-C 3.6Å; F22-K24 PolarHBondContact N-O 2.88Å; K24-G26 PolarHBondContact O-N 2.84Å; K24-I27 HydrophobicContact CB-CD1 4.38Å; K24-I27 PolarHBondContact O-N 3.37Å
25K94.9Very high95.7Very high190 Ų19069.1 Ų69.183%0.82637%0.367SS*.THydrogen-bonded Turntrans-52.8136.3176.4-170.5177-179.8179.30111.8D21D21-K25 WeakPolarHBondContact OD1-CA 3.49Å
26G92.6Very high95.7Very high70 Ų7070 Ų7072%0.72237%0.373SS*.THydrogen-bonded Turntrans90.9-6.4-179.800000115.2D21 K24D21-G26 PolarHBondContact OD1-N 3.08Å; K24-G26 PolarHBondContact O-N 2.84Å
27I91.2Very high95.7Very high79 Ų7977.6 Ų77.641%0.40540%0.404SS..  trans-101.2128.1179-58.3175.7000110P20 D21 F22 K24P20-I27 CarbonylContact C-O 3.54Å; D21-I27 WeakPolarHBondContact CA-O 3.22Å; D21-I27 PolarHBondContact N-O 3Å; F22-I27 PolarHBondContact N-O 3.41Å; F22-I27 WeakPolarHBondContact O-CB 3.21Å; F22-I27 WeakPolarHBondContact O-CG2 3.37Å; K24-I27 HydrophobicContact CB-CD1 4.38Å; K24-I27 PolarHBondContact O-N 3.37Å
28L94.8Very high95.7Very high81 Ų8172.7 Ų72.742%0.42439%0.389SS..EExtended strand (participates in β ladder)trans-93.798.7170.2-173.463.9000109.8A18 P20A18-L28 HydrophobicContact CB-CD1 3.88Å; A18-L28 HydrophobicContact CB-CG 4.29Å; P20-L28 HydrophobicContact CB-CD1 4.32Å
29F95.9Very high95.8Very high59 Ų5975.3 Ų75.326%0.25940%0.402SS..EExtended strand (participates in β ladder)trans-74.5133.6-180-170.1-94.3000111.4A18 F19 F22 D31A18-F29 CarbonylContact C-O 3.36Å; A18-F29 WeakPolarHBondContact CA-O 3.29Å; F19-F29 HydrophobicContact CB-CB 4.27Å; F19-F29 PolarHBondContact N-O 3.01Å; F19-F29 PolarHBondContact O-N 2.89Å; F22-F29 HydrophobicContact CB-CB 4.1Å; F22-F29 HydrophobicContact CD1-CB 3.86Å; F22-F29 HydrophobicContact CD1-CD1 4.19Å; F22-F29 AromaticContact CD1-CD2 3.63Å; F22-F29 HydrophobicContact CD1-CD2 3.63Å; F22-F29 HydrophobicContact CD1-CE2 4.18Å; F22-F29 AromaticContact CD1-CG 3.63Å; F22-F29 HydrophobicContact CD1-CG 3.63Å; F22-F29 HydrophobicContact CE1-CD2 4Å; F22-F29 HydrophobicContact CE1-CE2 4.08Å; F22-F29 HydrophobicContact CE1-CG 4.26Å; F22-F29 HydrophobicContact CE1-CZ 4.41Å; F22-F29 HydrophobicContact CG-CB 4.46Å; F22-F29 WeakPolarHBondContact O-CB 3.43Å; F29-D31 HydrophobicContact CD1-CB 4.15Å; F29-D31 HydrophobicContact CE1-CB 4.1Å
30R96.8Very high95.8Very high53 Ų5374.2 Ų74.220%0.241%0.407CS..EExtended strand (participates in β ladder)trans-100.2105.1174.9-56.7-61.5-174.21800.1109.4V16 L131 I159 L161 Y181V16-R30 HydrophobicContact CG1-CB 3.97Å; R30-L131 HydrophobicContact CB-CD1 4.32Å; R30-I159 HydrophobicContact CB-CD1 3.73Å; R30-L161 HydrophobicContact CG-CD2 4.26Å; R30-Y181 HydrophobicContact CG-CD2 4.39Å; R30-Y181 VanDerWaalsContact CZ-CD1 3.5Å
31D97.3Very high95.9Very high13 Ų1369.7 Ų69.77%0.0738%0.378CS..EExtended strand (participates in β ladder)trans-88.5119179.9173.230.6000111.3R17 F19 F29 C33R17-D31 HydrophobicContact CB-CB 4.28Å; R17-D31 IonicContact CZ-OD2 2.7Å; R17-D31 VanDerWaalsContact CZ-OD2 3.32Å; R17-D31 PolarHBondContact N-O 3Å; R17-D31 IonicContact NE-OD2 2.73Å; R17-D31 PolarHBondContact NE-OD2 3.24Å; R17-D31 VanDerWaalsContact NE-OD2 3.08Å; R17-D31 IonicContact NH2-OD2 2.69Å; R17-D31 PolarHBondContact NH2-OD2 3.34Å; R17-D31 PolarHBondContact O-N 2.82Å; F19-D31 HydrophobicContact CD2-CB 3.87Å; F19-D31 HydrophobicContact CE2-CB 3.81Å; F29-D31 HydrophobicContact CD1-CB 4.15Å; F29-D31 HydrophobicContact CE1-CB 4.1Å; D31-C33 WeakPolarHBondContact OD1-CB 3.15Å; D31-C33 PolarHBondContact OD1-N 3.33Å; D31-C33 PolarHBondContact OD1-SG 3.46Å
32I97.9Very high96.1Very high5 Ų567.3 Ų67.33%0.02637%0.365CS..  trans-91.8-5.617859.3149000113.5P34 I35 F73 D130 I159I32-P34 VanDerWaalsContact C-N 3.28Å; I32-P34 VanDerWaalsContact O-N 3.15Å; I32-I35 HydrophobicContact CB-CD1 4.08Å; I32-I35 HydrophobicContact CG2-CD1 4.13Å; I32-I35 VanDerWaalsContact O-CB 3.25Å; I32-I35 WeakPolarHBondContact O-CB 3.36Å; I32-I35 PolarHBondContact O-N 2.95Å; I32-F73 HydrophobicContact CD1-CE2 3.6Å; I32-F73 HydrophobicContact CD1-CZ 3.67Å; I32-D130 HydrophobicContact CD1-CB 3.68Å; I32-I159 HydrophobicContact CG2-CD1 3.66Å; I32-I159 HydrophobicContact CG2-CG1 4.38Å
33C97.6Very high96.3Very high61 Ų6165.2 Ų65.241%0.41236%0.362SS..Hα-helixtrans-53.7-35-177.5-73.50000114.6D31 I35 L36 K37D31-C33 WeakPolarHBondContact OD1-CB 3.15Å; D31-C33 PolarHBondContact OD1-N 3.33Å; D31-C33 PolarHBondContact OD1-SG 3.46Å; C33-I35 VanDerWaalsContact C-N 3.26Å; C33-I35 PolarHBondContact O-N 3.16Å; C33-L36 PolarHBondContact O-N 2.8Å; C33-K37 PolarHBondContact O-N 2.99Å
34P98.4Very high96.7Very high31 Ų3161.3 Ų61.320%0.20134%0.336CS..Hα-helixtrans-66.6-24.5175.7-15.628.3000113.9H15 R17 I32 K37 S38H15-P34 HydrophobicContact CB-CB 4.3Å; H15-P34 PolarHBondContact CD2-O 3.05Å; H15-P34 VanDerWaalsContact O-CB 3.27Å; H15-P34 WeakPolarHBondContact O-CB 3.46Å; H15-P34 WeakPolarHBondContact O-CD 3.29Å; H15-P34 WeakPolarHBondContact O-CG 3.3Å; R17-P34 HydrophobicContact CB-CG 4.13Å; I32-P34 VanDerWaalsContact C-N 3.28Å; I32-P34 VanDerWaalsContact O-N 3.15Å; P34-K37 PolarHBondContact O-N 3.2Å; P34-S38 WeakPolarHBondContact O-CB 3.31Å; P34-S38 PolarHBondContact O-N 3.21Å
35I98.5Very high97.1Very high0 Ų055.7 Ų55.70%031%0.312CS..Hα-helixtrans-62.1-48171.4-64.5166.1000109.2V12 H15 V16 I32 C33 K37 S38 A41 V45 V158V12-I35 HydrophobicContact CG1-CD1 3.7Å; V12-I35 HydrophobicContact CG1-CG1 4.35Å; H15-I35 HydrophobicContact CB-CB 4.44Å; H15-I35 HydrophobicContact CB-CG1 3.63Å; V16-I35 HydrophobicContact CG2-CD1 3.96Å; I32-I35 HydrophobicContact CB-CD1 4.08Å; I32-I35 HydrophobicContact CG2-CD1 4.13Å; I32-I35 VanDerWaalsContact O-CB 3.25Å; I32-I35 WeakPolarHBondContact O-CB 3.36Å; I32-I35 PolarHBondContact O-N 2.95Å; C33-I35 VanDerWaalsContact C-N 3.26Å; C33-I35 PolarHBondContact O-N 3.16Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.31Å; I35-S38 PolarHBondContact O-N 3.34Å; I35-A41 HydrophobicContact CG2-CB 4.1Å; I35-V45 HydrophobicContact CG2-CG2 3.81Å; I35-V158 HydrophobicContact CD1-CG1 4.13Å
36L97.9Very high97.3Very high57 Ų5747 Ų4730%0.29828%0.275SS..Hα-helixtrans-65.3-31.1-178-53.5173.1000112.6C33 S38 L42 L72 F73C33-L36 PolarHBondContact O-N 2.8Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 3.47Å; L36-L42 HydrophobicContact CD2-CD1 4.06Å; L36-L72 HydrophobicContact CD1-CD1 3.69Å; L36-L72 HydrophobicContact CD2-CB 4.09Å; L36-L72 HydrophobicContact CD2-CD1 4.48Å; L36-F73 HydrophobicContact CD2-CE1 3.78Å; L36-F73 HydrophobicContact CD2-CZ 3.79Å
37K98.1Very high97.5Very high180 Ų18044.8 Ų44.878%0.78325%0.247SC*.Hα-helixtrans-73.4-17.5175.6-71.6-178.7176.9-175.50113.5C33 P34 I35 P39C33-K37 PolarHBondContact O-N 2.99Å; P34-K37 PolarHBondContact O-N 3.2Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.31Å; K37-P39 WeakPolarHBondContact O-CD 3.35Å
38S98.3Very high97.9Very high22 Ų2241.6 Ų41.615%0.15423%0.23CC..  trans-108.5105.3-174.1177.60000109.5H15 P34 I35 L36 A40 A41 L42H15-S38 WeakPolarHBondContact NE2-CB 3.49Å; H15-S38 PolarHBondContact NE2-OG 2.71Å; P34-S38 WeakPolarHBondContact O-CB 3.31Å; P34-S38 PolarHBondContact O-N 3.21Å; I35-S38 PolarHBondContact O-N 3.34Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 3.47Å; S38-A40 PolarHBondContact O-N 2.9Å; S38-A40 VanDerWaalsContact O-N 3.14Å; S38-A41 PolarHBondContact O-N 2.94Å; S38-A41 PolarHBondContact OG-N 3.36Å; S38-L42 PolarHBondContact O-N 3.34Å
39P98.1Very high98.1Very high100 Ų10037.8 Ų37.865%0.64921%0.21SC*.Hα-helixtrans-53.8-38.9-179.8-27.535000112.4K37 T43K37-P39 WeakPolarHBondContact O-CD 3.35Å; P39-T43 WeakPolarHBondContact O-CB 3.42Å; P39-T43 PolarHBondContact O-N 2.91Å; P39-T43 PolarHBondContact O-OG1 3.39Å
40A98.2Very high98.2Very high56 Ų5636.1 Ų36.146%0.46320%0.203SC..Hα-helixtrans-65.1-41.6177.300000112.7L11 S38 A44L11-A40 HydrophobicContact CD2-CB 4.14Å; S38-A40 PolarHBondContact O-N 2.9Å; S38-A40 VanDerWaalsContact O-N 3.14Å; A40-A44 VanDerWaalsContact O-CB 3.31Å; A40-A44 WeakPolarHBondContact O-CB 3.38Å; A40-A44 PolarHBondContact O-N 3.25Å
41A98.4Very high98.2Very high0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-73.1-38.7179.600000112L11 H15 I35 S38 A44 V45L11-A41 HydrophobicContact CD1-CB 4.41Å; L11-A41 HydrophobicContact CG-CB 4.3Å; H15-A41 HydrophobicContact CB-CB 4.37Å; I35-A41 HydrophobicContact CG2-CB 4.1Å; S38-A41 PolarHBondContact O-N 2.94Å; S38-A41 PolarHBondContact OG-N 3.36Å; A41-A44 WeakPolarHBondContact O-CB 3.35Å; A41-A44 PolarHBondContact O-N 3.28Å; A41-V45 PolarHBondContact O-N 2.88Å
42L98.6Very high98.3Very high41 Ų4137.9 Ų37.922%0.21521%0.213CC..Hα-helixtrans-63.2-44.2174.6-177.158.6000111.8L36 S38 A44 V45 T46 F73 L76L36-L42 HydrophobicContact CD2-CD1 4.06Å; S38-L42 PolarHBondContact O-N 3.34Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.32Å; L42-V45 PolarHBondContact O-N 2.93Å; L42-T46 PolarHBondContact O-N 3.2Å; L42-T46 VanDerWaalsContact O-N 3.12Å; L42-T46 PolarHBondContact O-OG1 2.82Å; L42-F73 HydrophobicContact CD1-CD1 3.96Å; L42-F73 HydrophobicContact CD1-CE1 3.81Å; L42-L76 HydrophobicContact CD1-CD1 3.67Å; L42-L76 HydrophobicContact CD2-CD1 4.03Å; L42-L76 HydrophobicContact CG-CD1 3.9Å
43T98.4Very high98.3Very high68 Ų6838 Ų3842%0.41721%0.214SC..Hα-helixtrans-60.4-42.1172.1-63.50000110.8P39 V45 T46 D47P39-T43 WeakPolarHBondContact O-CB 3.42Å; P39-T43 PolarHBondContact O-N 2.91Å; P39-T43 PolarHBondContact O-OG1 3.39Å; T43-V45 PolarHBondContact O-N 3.37Å; T43-T46 PolarHBondContact O-N 3.13Å; T43-D47 VanDerWaalsContact O-CB 3.31Å; T43-D47 WeakPolarHBondContact O-CB 3.41Å; T43-D47 VanDerWaalsContact O-CG 3.27Å; T43-D47 PolarHBondContact O-N 3.24Å
44A98.6Very high98.3Very high4 Ų441.6 Ų41.63%0.03322%0.219CC..Hα-helixtrans-62.2-42.5178.500000113.2K8 L11 V12 A40 A41 L42 T46 L48K8-A44 HydrophobicContact CB-CB 4.01Å; K8-A44 HydrophobicContact CG-CB 4.26Å; L11-A44 HydrophobicContact CD2-CB 3.92Å; L11-A44 HydrophobicContact CG-CB 4.39Å; V12-A44 HydrophobicContact CG2-CB 3.98Å; A40-A44 VanDerWaalsContact O-CB 3.31Å; A40-A44 WeakPolarHBondContact O-CB 3.38Å; A40-A44 PolarHBondContact O-N 3.25Å; A41-A44 WeakPolarHBondContact O-CB 3.35Å; A41-A44 PolarHBondContact O-N 3.28Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 3.32Å; A44-T46 VanDerWaalsContact C-N 3.34Å; A44-L48 WeakPolarHBondContact O-CB 3.49Å; A44-L48 WeakPolarHBondContact O-CD1 3.34Å; A44-L48 VanDerWaalsContact O-CG 3.23Å; A44-L48 WeakPolarHBondContact O-CG 3.44Å; A44-L48 PolarHBondContact O-N 2.73Å
45V98.6Very high98.2Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-58.1-49.3173.1169.90000110.6V12 I35 A41 L42 T43 L48 F49 F73 V158 L178V12-V45 HydrophobicContact CB-CG2 4.37Å; V12-V45 HydrophobicContact CG1-CG2 3.72Å; V12-V45 HydrophobicContact CG2-CG2 3.6Å; I35-V45 HydrophobicContact CG2-CG2 3.81Å; A41-V45 PolarHBondContact O-N 2.88Å; L42-V45 PolarHBondContact O-N 2.93Å; T43-V45 PolarHBondContact O-N 3.37Å; V45-L48 PolarHBondContact O-N 3.38Å; V45-F49 HydrophobicContact CG1-CD2 3.87Å; V45-F49 HydrophobicContact CG1-CE2 3.62Å; V45-F49 HydrophobicContact CG1-CZ 4.2Å; V45-F49 WeakPolarHBondContact O-CG 3.29Å; V45-F49 PolarHBondContact O-N 3.11Å; V45-F73 HydrophobicContact CB-CD1 4.48Å; V45-F73 HydrophobicContact CB-CE1 4.45Å; V45-F73 HydrophobicContact CG1-CD1 3.68Å; V45-F73 HydrophobicContact CG1-CE1 3.93Å; V45-F73 HydrophobicContact CG1-CG 4.34Å; V45-V158 HydrophobicContact CG1-CG2 3.94Å; V45-V158 HydrophobicContact CG2-CG1 4.41Å; V45-L178 HydrophobicContact CB-CD1 4.19Å; V45-L178 HydrophobicContact CG1-CD1 3.87Å; V45-L178 HydrophobicContact CG2-CD1 4.11Å
46T98.6Very high98.1Very high7 Ų749.5 Ų49.54%0.04326%0.262CS..Hα-helixtrans-67.7-39.8-175.7-41.80000111.6L42 T43 A44 F49 E50 L76 R80L42-T46 PolarHBondContact O-N 3.2Å; L42-T46 VanDerWaalsContact O-N 3.12Å; L42-T46 PolarHBondContact O-OG1 2.82Å; T43-T46 PolarHBondContact O-N 3.13Å; A44-T46 VanDerWaalsContact C-N 3.34Å; T46-F49 PolarHBondContact O-N 3.26Å; T46-E50 WeakPolarHBondContact O-CB 3.23Å; T46-E50 PolarHBondContact O-N 2.88Å; T46-L76 HydrophobicContact CG2-CB 3.87Å; T46-R80 VanDerWaalsContact CG2-CD 3.41Å; T46-R80 HydrophobicContact CG2-CG 4.3Å
47D98.4Very high98.1Very high24 Ų2454.3 Ų54.313%0.12828%0.283CS..Hα-helixtrans-58.4-49.7173.3-81.54.5000111.5K8 T43 F49 E50 E51 R80K8-D47 HydrophobicContact CD-CB 4.01Å; K8-D47 WeakPolarHBondContact CE-OD2 3.47Å; K8-D47 IonicContact NZ-OD2 2.83Å; K8-D47 PolarHBondContact NZ-OD2 3.39Å; T43-D47 VanDerWaalsContact O-CB 3.31Å; T43-D47 WeakPolarHBondContact O-CB 3.41Å; T43-D47 VanDerWaalsContact O-CG 3.27Å; T43-D47 PolarHBondContact O-N 3.24Å; D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact O-N 3.29Å; D47-E50 PolarHBondContact O-N 3.43Å; D47-E51 WeakPolarHBondContact O-CB 3.28Å; D47-E51 VanDerWaalsContact O-CG 3.27Å; D47-E51 WeakPolarHBondContact O-CG 3.47Å; D47-E51 PolarHBondContact O-N 2.9Å; D47-R80 IonicContact OD1-CZ 2.93Å; D47-R80 IonicContact OD1-NH1 3.7Å; D47-R80 PolarHBondContact OD1-NH1 3.15Å; D47-R80 IonicContact OD1-NH2 3.14Å; D47-R80 PolarHBondContact OD1-NH2 2.93Å
48L98.6Very high98Very high12 Ų1247.8 Ų47.86%0.06326%0.256CS..Hα-helixtrans-64.6-38.3-178.1-74164.6000111.8P5 K8 L9 V12 A44 V45 H52 L178P5-L48 HydrophobicContact CB-CD2 4.16Å; K8-L48 HydrophobicContact CB-CD1 3.79Å; K8-L48 HydrophobicContact CB-CD2 4.09Å; K8-L48 HydrophobicContact CB-CG 3.93Å; K8-L48 HydrophobicContact CD-CD2 4.42Å; K8-L48 HydrophobicContact CD-CG 4.26Å; L9-L48 HydrophobicContact CD2-CD1 3.71Å; L9-L48 HydrophobicContact CG-CD1 3.94Å; L9-L48 HydrophobicContact CG-CD2 4.27Å; V12-L48 HydrophobicContact CG2-CD1 4.34Å; A44-L48 WeakPolarHBondContact O-CB 3.49Å; A44-L48 WeakPolarHBondContact O-CD1 3.34Å; A44-L48 VanDerWaalsContact O-CG 3.23Å; A44-L48 WeakPolarHBondContact O-CG 3.44Å; A44-L48 PolarHBondContact O-N 2.73Å; V45-L48 PolarHBondContact O-N 3.38Å; L48-H52 WeakPolarHBondContact O-CB 3.25Å; L48-H52 PolarHBondContact O-N 2.91Å; L48-L178 HydrophobicContact CB-CD1 4.37Å; L48-L178 HydrophobicContact CB-CD2 3.63Å; L48-L178 HydrophobicContact CD1-CD1 4.33Å; L48-L178 HydrophobicContact CD1-CD2 4.2Å; L48-L178 HydrophobicContact CG-CD2 4.5Å
49F98.6Very high97.9Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-64.3-46.8173-75.9-18.1000112.3V45 T46 D47 H52 V53 F73 L77 I128 M156 V158 F176 L178V45-F49 HydrophobicContact CG1-CD2 3.87Å; V45-F49 HydrophobicContact CG1-CE2 3.62Å; V45-F49 HydrophobicContact CG1-CZ 4.2Å; V45-F49 WeakPolarHBondContact O-CG 3.29Å; V45-F49 PolarHBondContact O-N 3.11Å; T46-F49 PolarHBondContact O-N 3.26Å; D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact O-N 3.29Å; F49-H52 WeakPolarHBondContact O-CB 3.27Å; F49-H52 PolarHBondContact O-N 3.01Å; F49-V53 WeakPolarHBondContact O-CG2 3.46Å; F49-V53 PolarHBondContact O-N 3.22Å; F49-V53 VanDerWaalsContact O-N 3.11Å; F49-F73 HydrophobicContact CE2-CB 4.23Å; F49-L77 HydrophobicContact CB-CD1 4.03Å; F49-L77 HydrophobicContact CB-CD2 4.11Å; F49-I128 HydrophobicContact CD2-CD1 4.31Å; F49-I128 HydrophobicContact CE2-CD1 4.47Å; F49-M156 HydrophobicContact CB-CE 3.31Å; F49-M156 HydrophobicContact CD1-CB 4.44Å; F49-M156 HydrophobicContact CD1-CE 3.19Å; F49-M156 HydrophobicContact CD2-CE 4.36Å; F49-M156 HydrophobicContact CE1-CB 4.15Å; F49-M156 HydrophobicContact CE1-CE 4Å; F49-M156 HydrophobicContact CG-CE 3.39Å; F49-M156 HydrophobicContact CZ-CB 4.48Å; F49-M156 WeakPolarHBondContact O-CE 3.43Å; F49-V158 HydrophobicContact CE2-CG2 4.21Å; F49-V158 HydrophobicContact CZ-CG2 3.92Å; F49-F176 HydrophobicContact CD1-CD1 4.24Å; F49-F176 HydrophobicContact CD1-CE1 4.02Å; F49-F176 HydrophobicContact CE1-CD1 4.42Å; F49-F176 HydrophobicContact CE1-CE1 4.42Å; F49-L178 HydrophobicContact CD1-CD1 4.05Å; F49-L178 HydrophobicContact CD1-CD2 3.82Å; F49-L178 HydrophobicContact CD1-CG 3.99Å; F49-L178 HydrophobicContact CE1-CD1 3.71Å; F49-L178 HydrophobicContact CE1-CD2 3.83Å; F49-L178 HydrophobicContact CE1-CG 3.51Å; F49-L178 HydrophobicContact CZ-CD1 4.04Å; F49-L178 HydrophobicContact CZ-CG 4.2Å
50E98.5Very high97.9Very high25 Ų2548.1 Ų48.112%0.11725%0.248CC..Hα-helixtrans-61.7-45.1176-178.8-177.6-165.500111.9T46 D47 H52 V53 R54 L77 R80 L81T46-E50 WeakPolarHBondContact O-CB 3.23Å; T46-E50 PolarHBondContact O-N 2.88Å; D47-E50 PolarHBondContact O-N 3.43Å; E50-H52 VanDerWaalsContact C-N 3.28Å; E50-H52 PolarHBondContact O-N 3.02Å; E50-V53 PolarHBondContact O-N 3.49Å; E50-R54 HydrophobicContact CG-CG 4.28Å; E50-R54 WeakPolarHBondContact O-CG 3.31Å; E50-R54 PolarHBondContact O-N 3.06Å; E50-R54 IonicContact OE1-CZ 2.97Å; E50-R54 IonicContact OE1-NE 2.88Å; E50-R54 PolarHBondContact OE1-NE 3.1Å; E50-R54 IonicContact OE1-NH2 3.69Å; E50-R54 PolarHBondContact OE1-NH2 3.33Å; E50-L77 HydrophobicContact CB-CD1 3.98Å; E50-R80 IonicContact OE2-CZ 3.22Å; E50-R80 IonicContact OE2-NE 2.72Å; E50-R80 PolarHBondContact OE2-NE 2.83Å; E50-R80 IonicContact OE2-NH2 3.08Å; E50-R80 PolarHBondContact OE2-NH2 2.82Å; E50-L81 HydrophobicContact CG-CD2 4.11Å
51E97.8Very high97.9Very high70 Ų7049.1 Ų49.133%0.32725%0.246SC..Hα-helixtrans-57.8-41.7176.9-78.2170.4-162.100111.1K8 D47 R54 S55K8-E51 IonicContact NZ-OE1 2.71Å; K8-E51 PolarHBondContact NZ-OE1 2.92Å; D47-E51 WeakPolarHBondContact O-CB 3.28Å; D47-E51 VanDerWaalsContact O-CG 3.27Å; D47-E51 WeakPolarHBondContact O-CG 3.47Å; D47-E51 PolarHBondContact O-N 2.9Å; E51-R54 PolarHBondContact O-N 3.16Å; E51-S55 WeakPolarHBondContact O-CB 3.17Å; E51-S55 PolarHBondContact O-N 2.88Å; E51-S55 PolarHBondContact O-OG 3.44Å
52H97.9Very high97.9Very high32 Ų3249.7 Ų49.715%0.14825%0.249CC..Hα-helixtrans-60.1-51.4175-179.773.2000111.7L48 F49 E50 R54 S55 H56 M156 F176L48-H52 WeakPolarHBondContact O-CB 3.25Å; L48-H52 PolarHBondContact O-N 2.91Å; F49-H52 WeakPolarHBondContact O-CB 3.27Å; F49-H52 PolarHBondContact O-N 3.01Å; E50-H52 VanDerWaalsContact C-N 3.28Å; E50-H52 PolarHBondContact O-N 3.02Å; H52-R54 VanDerWaalsContact C-N 3.34Å; H52-R54 PolarHBondContact O-N 3.38Å; H52-S55 PolarHBondContact O-N 2.84Å; H52-S55 PolarHBondContact O-OG 2.76Å; H52-S55 VanDerWaalsContact O-OG 3.09Å; H52-H56 AromaticContact CE1-CE1 3.66Å; H52-H56 AromaticContact CE1-ND1 3.66Å; H52-H56 AromaticContact CE1-NE2 3.98Å; H52-H56 AromaticContact ND1-CE1 3.51Å; H52-H56 AromaticContact ND1-ND1 3.5Å; H52-H56 PolarHBondContact ND1-ND1 3.4Å; H52-H56 WeakPolarHBondContact O-CB 3.45Å; H52-H56 PolarHBondContact O-N 2.88Å; H52-H56 VanDerWaalsContact O-N 3.1Å; H52-H56 PolarHBondContact O-ND1 3.46Å; H52-M156 HydrophobicContact CB-CE 4.35Å; H52-F176 HydrophobicContact CB-CD1 3.91Å; H52-F176 HydrophobicContact CB-CE1 3.54Å; H52-F176 HydrophobicContact CB-CE2 4.36Å; H52-F176 HydrophobicContact CB-CG 4.43Å; H52-F176 HydrophobicContact CB-CZ 3.8Å; H52-F176 AromaticContact CD2-CD1 3.76Å; H52-F176 AromaticContact CD2-CG 3.73Å; H52-F176 AromaticContact CE1-CD2 3.51Å; H52-F176 AromaticContact CE1-CG 3.61Å; H52-F176 AromaticContact CG-CD1 3.57Å; H52-F176 AromaticContact CG-CD2 3.87Å; H52-F176 AromaticContact CG-CE1 3.68Å; H52-F176 AromaticContact CG-CE2 4Å; H52-F176 AromaticContact CG-CG 3.65Å; H52-F176 AromaticContact CG-CZ 3.9Å; H52-F176 AromaticContact ND1-CD1 3.95Å; H52-F176 AromaticContact ND1-CD2 3.34Å; H52-F176 VanDerWaalsContact ND1-CD2 3.34Å; H52-F176 WeakPolarHBondContact ND1-CD2 3.16Å; H52-F176 AromaticContact ND1-CE2 3.51Å; H52-F176 AromaticContact ND1-CG 3.57Å; H52-F176 AromaticContact ND1-CZ 3.86Å; H52-F176 AromaticContact NE2-CG 3.71Å
53V98.2Very high97.9Very high7 Ų747.8 Ų47.84%0.04224%0.238CC..Hα-helixtrans-57.1-47.6179.3171.30000111.1F49 E50 Q57 L58 V60 L81 L126 M156F49-V53 WeakPolarHBondContact O-CG2 3.46Å; F49-V53 PolarHBondContact O-N 3.22Å; F49-V53 VanDerWaalsContact O-N 3.11Å; E50-V53 PolarHBondContact O-N 3.49Å; V53-Q57 PolarHBondContact O-N 2.89Å; V53-L58 HydrophobicContact CG1-CB 4.22Å; V53-L58 HydrophobicContact CG2-CD1 4.43Å; V53-L58 PolarHBondContact O-N 2.86Å; V53-V60 HydrophobicContact CG1-CG2 4.2Å; V53-L81 HydrophobicContact CB-CD1 4.48Å; V53-L81 HydrophobicContact CB-CD2 4.35Å; V53-L81 HydrophobicContact CG1-CD1 3.97Å; V53-L81 HydrophobicContact CG1-CD2 3.85Å; V53-L81 HydrophobicContact CG2-CD1 4.29Å; V53-L126 HydrophobicContact CG2-CD2 3.58Å; V53-M156 HydrophobicContact CG2-CE 4.36Å; V53-M156 HydrophobicContact CG2-SD 4.01Å
54R97.3Very high97.9Very high138 Ų13844.5 Ų44.552%0.52122%0.219SC..Hα-helixtrans-71.6-43-177.2-66.4-172.5-173.5-68.7-1.7112.9E50 E51 H52 H56 Q57 R80E50-R54 HydrophobicContact CG-CG 4.28Å; E50-R54 WeakPolarHBondContact O-CG 3.31Å; E50-R54 PolarHBondContact O-N 3.06Å; E50-R54 IonicContact OE1-CZ 2.97Å; E50-R54 IonicContact OE1-NE 2.88Å; E50-R54 PolarHBondContact OE1-NE 3.1Å; E50-R54 IonicContact OE1-NH2 3.69Å; E50-R54 PolarHBondContact OE1-NH2 3.33Å; E51-R54 PolarHBondContact O-N 3.16Å; H52-R54 VanDerWaalsContact C-N 3.34Å; H52-R54 PolarHBondContact O-N 3.38Å; R54-H56 VanDerWaalsContact C-N 3.31Å; R54-H56 PolarHBondContact O-N 3.36Å; R54-Q57 PolarHBondContact O-N 2.77Å; R54-Q57 VanDerWaalsContact O-N 3.14Å; R54-R80 PolarHBondContact NH2-O 3.4Å
55S96.8Very high97.9Very high81 Ų8144.3 Ų44.357%0.56622%0.217SC*.Hα-helixtrans-66.5-32.4-178.957.30000113E51 H52 Q57E51-S55 WeakPolarHBondContact O-CB 3.17Å; E51-S55 PolarHBondContact O-N 2.88Å; E51-S55 PolarHBondContact O-OG 3.44Å; H52-S55 PolarHBondContact O-N 2.84Å; H52-S55 PolarHBondContact O-OG 2.76Å; H52-S55 VanDerWaalsContact O-OG 3.09Å; S55-Q57 VanDerWaalsContact C-N 3.32Å
56H96.8Very high97.9Very high116 Ų11644.4 Ų44.454%0.53722%0.217SC..THydrogen-bonded Turntrans-92.24.5176-65.271.6000112.7H52 R54 L58H52-H56 AromaticContact CE1-CE1 3.66Å; H52-H56 AromaticContact CE1-ND1 3.66Å; H52-H56 AromaticContact CE1-NE2 3.98Å; H52-H56 AromaticContact ND1-CE1 3.51Å; H52-H56 AromaticContact ND1-ND1 3.5Å; H52-H56 PolarHBondContact ND1-ND1 3.4Å; H52-H56 WeakPolarHBondContact O-CB 3.45Å; H52-H56 PolarHBondContact O-N 2.88Å; H52-H56 VanDerWaalsContact O-N 3.1Å; H52-H56 PolarHBondContact O-ND1 3.46Å; R54-H56 VanDerWaalsContact C-N 3.31Å; R54-H56 PolarHBondContact O-N 3.36Å; H56-L58 HydrophobicContact CB-CD2 3.99Å; H56-L58 HydrophobicContact CB-CG 3.99Å; H56-L58 PolarHBondContact O-N 3.12Å; H56-L58 VanDerWaalsContact O-N 3.11Å
57Q96.4Very high97.6Very high158 Ų15845.9 Ų45.974%0.73823%0.225SC*.THydrogen-bonded Turntrans52.632.7178.7-54.2-178.6-65.600113.5V53 R54 S55 Q59V53-Q57 PolarHBondContact O-N 2.89Å; R54-Q57 PolarHBondContact O-N 2.77Å; R54-Q57 VanDerWaalsContact O-N 3.14Å; S55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-Q59 PolarHBondContact O-N 3.04Å; Q57-Q59 PolarHBondContact O-NE2 2.6Å; Q57-Q59 VanDerWaalsContact O-NE2 3.13Å
58L96.9Very high97.4Very high42 Ų4247.3 Ų47.322%0.2224%0.24CC..  trans-62.2129.3-179.4-56.3-176.2000109.1V53 H56 V60 L126V53-L58 HydrophobicContact CG1-CB 4.22Å; V53-L58 HydrophobicContact CG2-CD1 4.43Å; V53-L58 PolarHBondContact O-N 2.86Å; H56-L58 HydrophobicContact CB-CD2 3.99Å; H56-L58 HydrophobicContact CB-CG 3.99Å; H56-L58 PolarHBondContact O-N 3.12Å; H56-L58 VanDerWaalsContact O-N 3.11Å; L58-V60 HydrophobicContact CB-CG2 4.05Å; L58-V60 PolarHBondContact O-N 2.9Å; L58-L126 HydrophobicContact CD1-CD1 4.37Å
59Q96.3Very high97.3Very high113 Ų11351.1 Ų51.153%0.52825%0.254SS..  trans-90106.5177.9-60.9-61.2-60.200107.2Q57 K124 Q153Q57-Q59 PolarHBondContact O-N 3.04Å; Q57-Q59 PolarHBondContact O-NE2 2.6Å; Q57-Q59 VanDerWaalsContact O-NE2 3.13Å; Q59-K124 HydrophobicContact CB-CD 3.49Å; Q59-K124 VanDerWaalsContact CB-CD 3.49Å; Q59-K124 WeakPolarHBondContact O-CB 3.13Å; Q59-K124 WeakPolarHBondContact O-CD 3.29Å; Q59-Q153 VanDerWaalsContact O-CG 3.24Å; Q59-Q153 WeakPolarHBondContact O-CG 3.34Å; Q59-Q153 PolarHBondContact O-OE1 2.69Å
60V98.1Very high97.2Very high17 Ų1751.1 Ų51.110%0.10325%0.254CS..  trans-122.1125.5-173.4-177.20000108.9V53 L58 L62 I63 V83 L126 Q153V53-V60 HydrophobicContact CG1-CG2 4.2Å; L58-V60 HydrophobicContact CB-CG2 4.05Å; L58-V60 PolarHBondContact O-N 2.9Å; V60-L62 WeakPolarHBondContact CG1-O 3.41Å; V60-I63 HydrophobicContact CG1-CD1 3.77Å; V60-V83 VanDerWaalsContact O-CG1 3.3Å; V60-V83 WeakPolarHBondContact O-CG1 3.39Å; V60-L126 HydrophobicContact CG1-CB 3.9Å; V60-L126 HydrophobicContact CG2-CB 4.18Å; V60-L126 HydrophobicContact CG2-CD2 4.3Å; V60-Q153 HydrophobicContact CG2-CG 4.45Å
61D98.5Very high97.1Very high77 Ų7752 Ų5241%0.41226%0.257SS..SBendtrans-100.5-22.8175.1-56.8-48.2000111.5K124D61-K124 PolarHBondContact N-O 3.34Å; D61-K124 WeakPolarHBondContact OD2-CB 3.38Å; D61-K124 PolarHBondContact OD2-N 3.02Å
62L98.4Very high97.2Very high12 Ų1252.2 Ų52.26%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-152.2136.9-173.7-158.175.6000112.4V60 V64 G84 V86 V119 K124 V125 L126V60-L62 WeakPolarHBondContact CG1-O 3.41Å; L62-V64 HydrophobicContact CD2-CG2 4.25Å; L62-G84 WeakPolarHBondContact CA-O 3.38Å; L62-G84 VanDerWaalsContact CD1-C 3.4Å; L62-V86 HydrophobicContact CD1-CG2 4.03Å; L62-V86 HydrophobicContact CD2-CB 3.82Å; L62-V86 HydrophobicContact CD2-CG2 3.61Å; L62-V86 HydrophobicContact CG-CB 4.33Å; L62-V86 HydrophobicContact CG-CG2 4.13Å; L62-V119 HydrophobicContact CD2-CG2 3.77Å; L62-K124 PolarHBondContact N-O 3.22Å; L62-V125 HydrophobicContact CB-CG1 4.18Å; L62-V125 HydrophobicContact CD2-CG1 4.32Å; L62-V125 WeakPolarHBondContact O-CA 3.48Å; L62-L126 PolarHBondContact O-N 2.97Å
63I98.8Very high97.2Very high0 Ų050.7 Ų50.70%025%0.253CS..EExtended strand (participates in β ladder)trans-94.6130.2165.9-56.9-56.8000109.4V60 L77 A78 L81 V83 G84 F85 V86 L126 I128V60-I63 HydrophobicContact CG1-CD1 3.77Å; I63-L77 HydrophobicContact CD1-CD2 3.97Å; I63-L77 HydrophobicContact CD1-CG 4.33Å; I63-A78 HydrophobicContact CB-CB 3.99Å; I63-A78 HydrophobicContact CG1-CB 3.75Å; I63-L81 HydrophobicContact CD1-CD1 4.1Å; I63-V83 HydrophobicContact CG1-CG2 3.98Å; I63-G84 PolarHBondContact N-O 3.5Å; I63-F85 HydrophobicContact CB-CD2 4.01Å; I63-F85 HydrophobicContact CG2-CD2 3.91Å; I63-F85 HydrophobicContact CG2-CE2 4.17Å; I63-F85 CarbonylContact O-C 3.56Å; I63-F85 VanDerWaalsContact O-CA 3.29Å; I63-F85 WeakPolarHBondContact O-CA 3.37Å; I63-F85 VanDerWaalsContact O-CD2 3.29Å; I63-F85 WeakPolarHBondContact O-CD2 3.47Å; I63-V86 PolarHBondContact O-N 3.22Å; I63-L126 WeakPolarHBondContact CA-O 3.4Å; I63-L126 HydrophobicContact CD1-CB 3.83Å; I63-L126 HydrophobicContact CD1-CD2 3.83Å; I63-L126 HydrophobicContact CD1-CG 4.35Å; I63-I128 HydrophobicContact CG2-CB 4.45Å; I63-I128 HydrophobicContact CG2-CD1 4.11Å
64V98.7Very high97.2Very high0 Ų050.4 Ų50.40%025%0.251CS..EExtended strand (participates in β ladder)trans-109.3113.8177.8-179.50000108.7L62 V86 V88 V125 L126 I127 I128 M145L62-V64 HydrophobicContact CD2-CG2 4.25Å; V64-V86 WeakPolarHBondContact CA-O 3.19Å; V64-V88 HydrophobicContact CG1-CB 4.49Å; V64-V88 HydrophobicContact CG1-CG2 3.52Å; V64-V125 HydrophobicContact CG2-CB 4Å; V64-V125 HydrophobicContact CG2-CG1 4.21Å; V64-L126 PolarHBondContact N-O 3.35Å; V64-I127 HydrophobicContact CB-CG1 4.29Å; V64-I127 CarbonylContact O-C 3.53Å; V64-I127 WeakPolarHBondContact O-CA 3.41Å; V64-I128 PolarHBondContact O-N 2.83Å; V64-M145 HydrophobicContact CG1-CE 4.38Å; V64-M145 HydrophobicContact CG1-SD 4.26Å; V64-M145 HydrophobicContact CG2-SD 3.82Å
65G98.4Very high97.2Very high0 Ų046.2 Ų46.20%024%0.242CC..EExtended strand (participates in β ladder)trans-93.9148177.500000112.1F71 V86 V88G65-F71 VanDerWaalsContact O-CE1 3.3Å; G65-F71 WeakPolarHBondContact O-CE1 3.17Å; G65-V86 PolarHBondContact N-O 3.24Å; G65-V88 PolarHBondContact O-N 3.06Å
66L97.6Very high97.3Very high1 Ų145.4 Ų45.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-100.2135.8174.4-77.9150.4000112.1A68 R69 G70 V88 I127 I128 D129 T137 L138 A141L66-A68 CarbonylContact O-C 3.5Å; L66-R69 PolarHBondContact O-N 2.88Å; L66-G70 WeakPolarHBondContact O-CA 3.43Å; L66-G70 PolarHBondContact O-N 3.5Å; L66-V88 HydrophobicContact CD2-CB 4.15Å; L66-V88 HydrophobicContact CD2-CG1 3.86Å; L66-I127 HydrophobicContact CD1-CG2 3.72Å; L66-I127 HydrophobicContact CG-CG2 4.36Å; L66-I128 PolarHBondContact N-O 2.93Å; L66-I128 VanDerWaalsContact N-O 3.13Å; L66-D129 HydrophobicContact CB-CB 4.21Å; L66-D129 HydrophobicContact CD1-CB 3.79Å; L66-T137 HydrophobicContact CD2-CG2 3.74Å; L66-L138 HydrophobicContact CD1-CD2 3.45Å; L66-L138 VanDerWaalsContact CD1-CD2 3.45Å; L66-L138 HydrophobicContact CD1-CG 3.86Å; L66-A141 HydrophobicContact CD1-CB 4.29Å; L66-A141 HydrophobicContact CD2-CB 3.61Å; L66-A141 HydrophobicContact CG-CB 4.26Å
67D92.6Very high97.4Very high39 Ų3939.9 Ų39.921%0.20921%0.205CC..THydrogen-bonded Turntrans-67.3130.6-178.9-166.3-24.7000112.1F71 V88 R89D67-F71 VanDerWaalsContact CA-CZ 3.45Å; D67-F71 HydrophobicContact CB-CE1 4.42Å; D67-F71 HydrophobicContact CB-CE2 3.76Å; D67-F71 HydrophobicContact CB-CZ 3.55Å; D67-V88 WeakPolarHBondContact CB-O 3.28Å; D67-V88 PolarHBondContact N-O 3.32Å; D67-R89 HydrophobicContact CB-CB 4.48Å; D67-R89 IonicContact OD2-CZ 2.71Å; D67-R89 IonicContact OD2-NE 2.81Å; D67-R89 PolarHBondContact OD2-NE 3.1Å; D67-R89 IonicContact OD2-NH2 2.74Å; D67-R89 PolarHBondContact OD2-NH2 3.48Å
68A93.3Very high97.5Very high53 Ų5332.5 Ų32.544%0.43817%0.171SC..THydrogen-bonded Turncis-100.2-23-5.400000112.5L66 F71L66-A68 CarbonylContact O-C 3.5Å; A68-F71 WeakPolarHBondContact O-CB 3.24Å; A68-F71 WeakPolarHBondContact O-CG 3.03Å; A68-F71 PolarHBondContact O-N 3.13Å; A68-F71 VanDerWaalsContact O-N 3.16Å
69R96.8Very high97.6Very high93 Ų9337.4 Ų37.435%0.35119%0.193SC..G310 helixtrans-85.4-23.5-159.5-64.6174.8-63.5164.3-0.8112.4L66 F71 L72 D130L66-R69 PolarHBondContact O-N 2.88Å; R69-F71 PolarHBondContact O-N 2.76Å; R69-L72 HydrophobicContact CB-CD1 4.04Å; R69-L72 HydrophobicContact CG-CD1 4.1Å; R69-L72 VanDerWaalsContact O-CB 3.3Å; R69-L72 WeakPolarHBondContact O-CB 3.45Å; R69-L72 WeakPolarHBondContact O-CG 3.37Å; R69-L72 PolarHBondContact O-N 3.47Å; R69-D130 HydrophobicContact CB-CB 3.73Å; R69-D130 WeakPolarHBondContact CB-OD1 3.5Å; R69-D130 WeakPolarHBondContact CD-OD2 3.41Å; R69-D130 VanDerWaalsContact CZ-CG 3.42Å; R69-D130 IonicContact CZ-OD1 3.1Å; R69-D130 IonicContact CZ-OD2 2.71Å; R69-D130 IonicContact NE-OD1 2.7Å; R69-D130 PolarHBondContact NE-OD1 3.46Å; R69-D130 IonicContact NE-OD2 3.08Å; R69-D130 PolarHBondContact NE-OD2 3.04Å; R69-D130 VanDerWaalsContact NE-OD2 3.08Å; R69-D130 IonicContact NH1-OD1 3.06Å; R69-D130 IonicContact NH1-OD2 3.32Å; R69-D130 PolarHBondContact NH1-OD2 3.44Å; R69-D130 IonicContact NH2-OD1 3.38Å; R69-D130 PolarHBondContact NH2-OD1 3.19Å; R69-D130 IonicContact NH2-OD2 2.73Å
70G96.8Very high97.7Very high0 Ų036 Ų360%018%0.183CC..G310 helixtrans-57.8-27.4163.500000113L66 L72 F73 G74 D129L66-G70 WeakPolarHBondContact O-CA 3.43Å; L66-G70 PolarHBondContact O-N 3.5Å; G70-L72 PolarHBondContact O-N 2.88Å; G70-F73 PolarHBondContact O-N 2.97Å; G70-G74 PolarHBondContact O-N 3.49Å; G70-D129 PolarHBondContact N-OD1 3.3Å
71F97.9Very high97.7Very high44 Ų4436.8 Ų36.819%0.19319%0.186CC..G310 helixtrans-72.1-11.5177.1-51.2-19.4000113.6G65 D67 A68 R69 P75 F85 L87 R89G65-F71 VanDerWaalsContact O-CE1 3.3Å; G65-F71 WeakPolarHBondContact O-CE1 3.17Å; D67-F71 VanDerWaalsContact CA-CZ 3.45Å; D67-F71 HydrophobicContact CB-CE1 4.42Å; D67-F71 HydrophobicContact CB-CE2 3.76Å; D67-F71 HydrophobicContact CB-CZ 3.55Å; A68-F71 WeakPolarHBondContact O-CB 3.24Å; A68-F71 WeakPolarHBondContact O-CG 3.03Å; A68-F71 PolarHBondContact O-N 3.13Å; A68-F71 VanDerWaalsContact O-N 3.16Å; R69-F71 PolarHBondContact O-N 2.76Å; F71-P75 WeakPolarHBondContact O-CD 3.35Å; F71-P75 WeakPolarHBondContact O-CG 3.44Å; F71-F85 HydrophobicContact CD1-CE1 4.4Å; F71-F85 AromaticContact CD1-CZ 3.82Å; F71-F85 HydrophobicContact CD1-CZ 3.82Å; F71-F85 HydrophobicContact CE1-CZ 4.45Å; F71-L87 HydrophobicContact CD1-CD2 3.71Å; F71-L87 HydrophobicContact CD2-CD2 4.07Å; F71-L87 HydrophobicContact CE1-CB 4.24Å; F71-L87 HydrophobicContact CE1-CD2 3.4Å; F71-L87 VanDerWaalsContact CE1-CD2 3.4Å; F71-L87 HydrophobicContact CE1-CG 4.44Å; F71-L87 HydrophobicContact CE2-CD2 3.81Å; F71-L87 HydrophobicContact CG-CD2 4.03Å; F71-L87 HydrophobicContact CZ-CB 4.1Å; F71-L87 HydrophobicContact CZ-CD2 3.47Å; F71-L87 VanDerWaalsContact CZ-CD2 3.47Å; F71-L87 HydrophobicContact CZ-CG 4.36Å; F71-R89 HydrophobicContact CZ-CG 4.12Å
72L97.9Very high97.7Very high73 Ų7336.5 Ų36.538%0.38220%0.201SC..G310 helixtrans-81.2-24.1179.5-55171.1000111.8L36 R69 G70 L76L36-L72 HydrophobicContact CD1-CD1 3.69Å; L36-L72 HydrophobicContact CD2-CB 4.09Å; L36-L72 HydrophobicContact CD2-CD1 4.48Å; R69-L72 HydrophobicContact CB-CD1 4.04Å; R69-L72 HydrophobicContact CG-CD1 4.1Å; R69-L72 VanDerWaalsContact O-CB 3.3Å; R69-L72 WeakPolarHBondContact O-CB 3.45Å; R69-L72 WeakPolarHBondContact O-CG 3.37Å; R69-L72 PolarHBondContact O-N 3.47Å; G70-L72 PolarHBondContact O-N 2.88Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å
73F98.3Very high97.7Very high1 Ų137.7 Ų37.70%0.00421%0.209CC..THydrogen-bonded Turntrans-118.6-34-176.4-52.8-69.9000112.8I32 L36 L42 V45 F49 G70 L76 L77 I128 D130 V158I32-F73 HydrophobicContact CD1-CE2 3.6Å; I32-F73 HydrophobicContact CD1-CZ 3.67Å; L36-F73 HydrophobicContact CD2-CE1 3.78Å; L36-F73 HydrophobicContact CD2-CZ 3.79Å; L42-F73 HydrophobicContact CD1-CD1 3.96Å; L42-F73 HydrophobicContact CD1-CE1 3.81Å; V45-F73 HydrophobicContact CB-CD1 4.48Å; V45-F73 HydrophobicContact CB-CE1 4.45Å; V45-F73 HydrophobicContact CG1-CD1 3.68Å; V45-F73 HydrophobicContact CG1-CE1 3.93Å; V45-F73 HydrophobicContact CG1-CG 4.34Å; F49-F73 HydrophobicContact CE2-CB 4.23Å; G70-F73 PolarHBondContact O-N 2.97Å; F73-L76 WeakPolarHBondContact O-CB 3.39Å; F73-L76 PolarHBondContact O-N 3.22Å; F73-L77 PolarHBondContact O-N 3.42Å; F73-I128 HydrophobicContact CB-CG2 4.18Å; F73-D130 HydrophobicContact CE2-CB 3.98Å; F73-V158 HydrophobicContact CD2-CG2 3.93Å; F73-V158 HydrophobicContact CE1-CG2 4.3Å; F73-V158 HydrophobicContact CE2-CG2 3.66Å; F73-V158 HydrophobicContact CG-CG2 4.36Å; F73-V158 HydrophobicContact CZ-CG2 3.86Å
74G98.3Very high97.7Very high0 Ų039.3 Ų39.30%023%0.226CC..Hα-helixtrans-57-52.2-176.400000114G70 L76 L77 A78G70-G74 PolarHBondContact O-N 3.49Å; G74-L76 VanDerWaalsContact C-N 3.28Å; G74-L76 PolarHBondContact O-N 3Å; G74-L77 PolarHBondContact O-N 2.91Å; G74-A78 WeakPolarHBondContact O-CB 3.14Å; G74-A78 PolarHBondContact O-N 3.17Å
75P98.5Very high97.6Very high50 Ų5042.2 Ų42.233%0.32524%0.239SC..Hα-helixtrans-61.3-35177.3-24.334.4000113.5F71 A78 Q79 F85F71-P75 WeakPolarHBondContact O-CD 3.35Å; F71-P75 WeakPolarHBondContact O-CG 3.44Å; P75-A78 PolarHBondContact O-N 3.13Å; P75-Q79 WeakPolarHBondContact O-CB 3.47Å; P75-Q79 PolarHBondContact O-N 2.88Å; P75-F85 HydrophobicContact CG-CD1 3.87Å; P75-F85 HydrophobicContact CG-CD2 4.25Å; P75-F85 HydrophobicContact CG-CE1 3.66Å; P75-F85 HydrophobicContact CG-CE2 4.1Å; P75-F85 HydrophobicContact CG-CG 4.15Å; P75-F85 HydrophobicContact CG-CZ 3.79Å
76L98.4Very high97.6Very high65 Ų6543.1 Ų43.134%0.3424%0.244SC..Hα-helixtrans-65.8-45.2177.8-58.2179.3000110.7L42 T46 L72 F73 G74 R80L42-L76 HydrophobicContact CD1-CD1 3.67Å; L42-L76 HydrophobicContact CD2-CD1 4.03Å; L42-L76 HydrophobicContact CG-CD1 3.9Å; T46-L76 HydrophobicContact CG2-CB 3.87Å; L72-L76 WeakPolarHBondContact O-CD1 3.34Å; F73-L76 WeakPolarHBondContact O-CB 3.39Å; F73-L76 PolarHBondContact O-N 3.22Å; G74-L76 VanDerWaalsContact C-N 3.28Å; G74-L76 PolarHBondContact O-N 3Å; L76-R80 WeakPolarHBondContact O-CG 3.3Å; L76-R80 PolarHBondContact O-N 2.98Å; L76-R80 VanDerWaalsContact O-N 3.17Å
77L98.7Very high97.6Very high0 Ų046 Ų460%026%0.259CS..Hα-helixtrans-66.4-44.1176.1-177.363.6000111.6F49 E50 I63 F73 G74 Q79 R80 L81 L126 I128 M156F49-L77 HydrophobicContact CB-CD1 4.03Å; F49-L77 HydrophobicContact CB-CD2 4.11Å; E50-L77 HydrophobicContact CB-CD1 3.98Å; I63-L77 HydrophobicContact CD1-CD2 3.97Å; I63-L77 HydrophobicContact CD1-CG 4.33Å; F73-L77 PolarHBondContact O-N 3.42Å; G74-L77 PolarHBondContact O-N 2.91Å; L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.9Å; L77-R80 PolarHBondContact O-N 2.91Å; L77-R80 VanDerWaalsContact O-N 3.12Å; L77-L81 HydrophobicContact CD1-CD1 3.91Å; L77-L81 HydrophobicContact CD1-CG 4.01Å; L77-L81 HydrophobicContact CD2-CD1 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.75Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CG 3.25Å; L77-L81 PolarHBondContact O-N 2.8Å; L77-L126 HydrophobicContact CD2-CD2 4.17Å; L77-I128 HydrophobicContact CB-CD1 4.26Å; L77-I128 HydrophobicContact CD2-CD1 3.35Å; L77-I128 HydrophobicContact CG-CD1 4.43Å; L77-M156 HydrophobicContact CD2-CE 4.37Å
78A98.7Very high97.9Very high3 Ų344.2 Ų44.23%0.02525%0.25CC..Hα-helixtrans-56.3-45.2178.100000111.3I63 G74 P75 R80 L81 G82 V83 F85I63-A78 HydrophobicContact CB-CB 3.99Å; I63-A78 HydrophobicContact CG1-CB 3.75Å; G74-A78 WeakPolarHBondContact O-CB 3.14Å; G74-A78 PolarHBondContact O-N 3.17Å; P75-A78 PolarHBondContact O-N 3.13Å; A78-R80 PolarHBondContact O-N 2.9Å; A78-L81 PolarHBondContact O-N 2.87Å; A78-G82 PolarHBondContact O-N 2.92Å; A78-V83 HydrophobicContact CB-CG2 4.26Å; A78-V83 PolarHBondContact O-N 2.8Å; A78-F85 HydrophobicContact CB-CB 3.91Å
79Q98.6Very high98.1Very high144 Ų14444.9 Ų44.967%0.67324%0.241SC*.Hα-helixtrans-60.8-43.4176.6-171.6-79-56.400112P75 L77 G82P75-Q79 WeakPolarHBondContact O-CB 3.47Å; P75-Q79 PolarHBondContact O-N 2.88Å; L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.9Å; Q79-G82 PolarHBondContact O-N 2.98Å
80R98.1Very high98Very high85 Ų8546.4 Ų46.432%0.32125%0.25SC..Hα-helixtrans-68.9-33179.1-70.4-172.774.8139.6-15.8113.7T46 D47 E50 R54 L76 L77 A78 G82T46-R80 VanDerWaalsContact CG2-CD 3.41Å; T46-R80 HydrophobicContact CG2-CG 4.3Å; D47-R80 IonicContact OD1-CZ 2.93Å; D47-R80 IonicContact OD1-NH1 3.7Å; D47-R80 PolarHBondContact OD1-NH1 3.15Å; D47-R80 IonicContact OD1-NH2 3.14Å; D47-R80 PolarHBondContact OD1-NH2 2.93Å; E50-R80 IonicContact OE2-CZ 3.22Å; E50-R80 IonicContact OE2-NE 2.72Å; E50-R80 PolarHBondContact OE2-NE 2.83Å; E50-R80 IonicContact OE2-NH2 3.08Å; E50-R80 PolarHBondContact OE2-NH2 2.82Å; R54-R80 PolarHBondContact NH2-O 3.4Å; L76-R80 WeakPolarHBondContact O-CG 3.3Å; L76-R80 PolarHBondContact O-N 2.98Å; L76-R80 VanDerWaalsContact O-N 3.17Å; L77-R80 PolarHBondContact O-N 2.91Å; L77-R80 VanDerWaalsContact O-N 3.12Å; A78-R80 PolarHBondContact O-N 2.9Å; R80-G82 VanDerWaalsContact C-N 3.35Å
81L98.3Very high98Very high32 Ų3252 Ų5217%0.16828%0.275CS..Hα-helixtrans-82-15.4176.4-65.2176.2000112.7E50 V53 I63 L77 A78 V83E50-L81 HydrophobicContact CG-CD2 4.11Å; V53-L81 HydrophobicContact CB-CD1 4.48Å; V53-L81 HydrophobicContact CB-CD2 4.35Å; V53-L81 HydrophobicContact CG1-CD1 3.97Å; V53-L81 HydrophobicContact CG1-CD2 3.85Å; V53-L81 HydrophobicContact CG2-CD1 4.29Å; I63-L81 HydrophobicContact CD1-CD1 4.1Å; L77-L81 HydrophobicContact CD1-CD1 3.91Å; L77-L81 HydrophobicContact CD1-CG 4.01Å; L77-L81 HydrophobicContact CD2-CD1 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.75Å; L77-L81 HydrophobicContact CG-CG 4.23Å; L77-L81 WeakPolarHBondContact O-CG 3.25Å; L77-L81 PolarHBondContact O-N 2.8Å; A78-L81 PolarHBondContact O-N 2.87Å; L81-V83 HydrophobicContact CB-CG1 4.22Å; L81-V83 HydrophobicContact CB-CG2 3.93Å
82G98.3Very high97.9Very high71 Ų7153 Ų5373%0.73230%0.297SS*.THydrogen-bonded Turntrans74.431.9-177.600000113.2A78 Q79 R80A78-G82 PolarHBondContact O-N 2.92Å; Q79-G82 PolarHBondContact O-N 2.98Å; R80-G82 VanDerWaalsContact C-N 3.35Å
83V98.6Very high97.8Very high38 Ų3855.4 Ų55.423%0.2330%0.304CS..  trans-122.4167.8-174.3-57.60000111.3V60 I63 A78 L81V60-V83 VanDerWaalsContact O-CG1 3.3Å; V60-V83 WeakPolarHBondContact O-CG1 3.39Å; I63-V83 HydrophobicContact CG1-CG2 3.98Å; A78-V83 HydrophobicContact CB-CG2 4.26Å; A78-V83 PolarHBondContact O-N 2.8Å; L81-V83 HydrophobicContact CB-CG1 4.22Å; L81-V83 HydrophobicContact CB-CG2 3.93Å
84G98.2Very high97.7Very high34 Ų3456.4 Ų56.435%0.35131%0.31SS..EExtended strand (participates in β ladder)trans-72.6165.5178.800000113.2L62 I63L62-G84 WeakPolarHBondContact CA-O 3.38Å; L62-G84 VanDerWaalsContact CD1-C 3.4Å; I63-G84 PolarHBondContact N-O 3.5Å
85F98.6Very high97.6Very high60 Ų6060.7 Ų60.726%0.26334%0.337SS..EExtended strand (participates in β ladder)trans-130.2137.7174.8176.9-102.2000110.9I63 F71 P75 A78 L87I63-F85 HydrophobicContact CB-CD2 4.01Å; I63-F85 HydrophobicContact CG2-CD2 3.91Å; I63-F85 HydrophobicContact CG2-CE2 4.17Å; I63-F85 CarbonylContact O-C 3.56Å; I63-F85 VanDerWaalsContact O-CA 3.29Å; I63-F85 WeakPolarHBondContact O-CA 3.37Å; I63-F85 VanDerWaalsContact O-CD2 3.29Å; I63-F85 WeakPolarHBondContact O-CD2 3.47Å; F71-F85 HydrophobicContact CD1-CE1 4.4Å; F71-F85 AromaticContact CD1-CZ 3.82Å; F71-F85 HydrophobicContact CD1-CZ 3.82Å; F71-F85 HydrophobicContact CE1-CZ 4.45Å; P75-F85 HydrophobicContact CG-CD1 3.87Å; P75-F85 HydrophobicContact CG-CD2 4.25Å; P75-F85 HydrophobicContact CG-CE1 3.66Å; P75-F85 HydrophobicContact CG-CE2 4.1Å; P75-F85 HydrophobicContact CG-CG 4.15Å; P75-F85 HydrophobicContact CG-CZ 3.79Å; A78-F85 HydrophobicContact CB-CB 3.91Å; F85-L87 HydrophobicContact CD1-CD2 4.41Å; F85-L87 HydrophobicContact CE1-CD2 3.47Å; F85-L87 VanDerWaalsContact CE1-CD2 3.47Å; F85-L87 HydrophobicContact CE1-CG 4.28Å; F85-L87 HydrophobicContact CZ-CD2 4.09Å
86V97.9Very high97.5Very high19 Ų1961.7 Ų61.712%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-131.1147.2-180161.80000112.3L62 I63 V64 G65 I114 A118 V119L62-V86 HydrophobicContact CD1-CG2 4.03Å; L62-V86 HydrophobicContact CD2-CB 3.82Å; L62-V86 HydrophobicContact CD2-CG2 3.61Å; L62-V86 HydrophobicContact CG-CB 4.33Å; L62-V86 HydrophobicContact CG-CG2 4.13Å; I63-V86 PolarHBondContact O-N 3.22Å; V64-V86 WeakPolarHBondContact CA-O 3.19Å; G65-V86 PolarHBondContact N-O 3.24Å; V86-I114 HydrophobicContact CG1-CD1 3.55Å; V86-I114 HydrophobicContact CG1-CG1 4.03Å; V86-A118 HydrophobicContact CG1-CB 3.67Å; V86-A118 HydrophobicContact CG2-CB 4.13Å; V86-A118 WeakPolarHBondContact CG2-O 3.35Å; V86-V119 HydrophobicContact CG1-CG2 4.42Å
87L97.3Very high97.5Very high63 Ų6361.2 Ų61.233%0.3336%0.362SS..EExtended strand (participates in β ladder)trans-96.3125-177.2-56.7169.4000110.6F71 F85 R89 L94F71-L87 HydrophobicContact CD1-CD2 3.71Å; F71-L87 HydrophobicContact CD2-CD2 4.07Å; F71-L87 HydrophobicContact CE1-CB 4.24Å; F71-L87 HydrophobicContact CE1-CD2 3.4Å; F71-L87 VanDerWaalsContact CE1-CD2 3.4Å; F71-L87 HydrophobicContact CE1-CG 4.44Å; F71-L87 HydrophobicContact CE2-CD2 3.81Å; F71-L87 HydrophobicContact CG-CD2 4.03Å; F71-L87 HydrophobicContact CZ-CB 4.1Å; F71-L87 HydrophobicContact CZ-CD2 3.47Å; F71-L87 VanDerWaalsContact CZ-CD2 3.47Å; F71-L87 HydrophobicContact CZ-CG 4.36Å; F85-L87 HydrophobicContact CD1-CD2 4.41Å; F85-L87 HydrophobicContact CE1-CD2 3.47Å; F85-L87 VanDerWaalsContact CE1-CD2 3.47Å; F85-L87 HydrophobicContact CE1-CG 4.28Å; F85-L87 HydrophobicContact CZ-CD2 4.09Å; L87-R89 HydrophobicContact CB-CG 3.94Å; L87-L94 HydrophobicContact CB-CD2 4.33Å; L87-L94 HydrophobicContact CD1-CD2 4.36Å
88V98.2Very high97.5Very high0 Ų063.2 Ų63.20%037%0.374CS..EExtended strand (participates in β ladder)trans-98.3121.8155172.60000107.7V64 G65 L66 D67 V112 E113 I114 L144 M145V64-V88 HydrophobicContact CG1-CB 4.49Å; V64-V88 HydrophobicContact CG1-CG2 3.52Å; G65-V88 PolarHBondContact O-N 3.06Å; L66-V88 HydrophobicContact CD2-CB 4.15Å; L66-V88 HydrophobicContact CD2-CG1 3.86Å; D67-V88 WeakPolarHBondContact CB-O 3.28Å; D67-V88 PolarHBondContact N-O 3.32Å; V88-V112 HydrophobicContact CG1-CB 3.77Å; V88-V112 HydrophobicContact CG1-CG1 4.21Å; V88-V112 HydrophobicContact CG1-CG2 4.29Å; V88-E113 WeakPolarHBondContact CA-O 3.47Å; V88-I114 HydrophobicContact CG2-CB 4.46Å; V88-I114 HydrophobicContact CG2-CD1 4.27Å; V88-L144 HydrophobicContact CG1-CD1 3.8Å; V88-L144 HydrophobicContact CG2-CD1 4.35Å; V88-M145 HydrophobicContact CG2-CE 4.27Å
89R97.8Very high97.4Very high67 Ų6764.5 Ų64.525%0.25338%0.381SS..EExtended strand (participates in β ladder)trans-118.1163.6-174.2-56.5-153.268.5-178.35.1112.7D67 F71 L87 K93 L94 V112 E113D67-R89 HydrophobicContact CB-CB 4.48Å; D67-R89 IonicContact OD2-CZ 2.71Å; D67-R89 IonicContact OD2-NE 2.81Å; D67-R89 PolarHBondContact OD2-NE 3.1Å; D67-R89 IonicContact OD2-NH2 2.74Å; D67-R89 PolarHBondContact OD2-NH2 3.48Å; F71-R89 HydrophobicContact CZ-CG 4.12Å; L87-R89 HydrophobicContact CB-CG 3.94Å; R89-K93 HydrophobicContact CB-CB 3.98Å; R89-K93 PolarHBondContact NH1-O 3.5Å; R89-L94 HydrophobicContact CB-CD1 4.25Å; R89-L94 HydrophobicContact CB-CD2 4.46Å; R89-L94 HydrophobicContact CB-CG 3.95Å; R89-L94 VanDerWaalsContact CD-CD2 3.44Å; R89-L94 HydrophobicContact CG-CD1 4.09Å; R89-L94 HydrophobicContact CG-CD2 3.68Å; R89-L94 HydrophobicContact CG-CG 3.71Å; R89-V112 CarbonylContact O-C 3.5Å; R89-V112 WeakPolarHBondContact O-CA 3.5Å; R89-E113 PolarHBondContact N-O 3.01Å; R89-E113 PolarHBondContact O-N 3.16Å
90K95.4Very high97.3Very high125 Ų12559.3 Ų59.354%0.54336%0.361SS..EExtended strand (participates in β ladder)trans-63.6147.4163.8-63.6-179.6-178.71790109.3K93K90-K93 HydrophobicContact CB-CG 4.47Å; K90-K93 VanDerWaalsContact O-CB 3.28Å; K90-K93 WeakPolarHBondContact O-CB 3.29Å; K90-K93 VanDerWaalsContact O-CG 3.31Å; K90-K93 WeakPolarHBondContact O-CG 3.48Å; K90-K93 PolarHBondContact O-N 3.09Å
91K95.3Very high97.2Very high119 Ų11955.8 Ų55.852%0.51735%0.349SS..THydrogen-bonded Turntrans-48.2137.6179.9-178.8158179.5168.80114.3E111 E113K91-E111 HydrophobicContact CB-CB 4.14Å; K91-E111 HydrophobicContact CB-CG 4.41Å; K91-E111 HydrophobicContact CD-CB 4.16Å; K91-E111 HydrophobicContact CD-CG 3.96Å; K91-E111 WeakPolarHBondContact CD-OE1 3.3Å; K91-E111 WeakPolarHBondContact CD-OE2 3.49Å; K91-E111 WeakPolarHBondContact CE-OE2 3.46Å; K91-E111 PolarHBondContact N-O 3.46Å; K91-E111 IonicContact NZ-OE1 2.79Å; K91-E111 PolarHBondContact NZ-OE1 2.89Å; K91-E111 IonicContact NZ-OE2 3.17Å; K91-E111 PolarHBondContact NZ-OE2 3.08Å; K91-E113 VanDerWaalsContact CA-OE2 3.29Å; K91-E113 WeakPolarHBondContact CA-OE2 3.41Å
92G96Very high97Very high64 Ų6457.4 Ų57.466%0.6637%0.367SS*.THydrogen-bonded Turntrans76.520.8177.900000114.4E113G92-E113 PolarHBondContact N-OE1 3.4Å; G92-E113 PolarHBondContact N-OE2 3.02Å
93K96.8Very high96.4Very high124 Ų12455.8 Ų55.854%0.53934%0.339SS..  trans-114.2-11.9179.2-64.9-65.9-174.9-175.60113.3R89 K90 E113R89-K93 HydrophobicContact CB-CB 3.98Å; R89-K93 PolarHBondContact NH1-O 3.5Å; K90-K93 HydrophobicContact CB-CG 4.47Å; K90-K93 VanDerWaalsContact O-CB 3.28Å; K90-K93 WeakPolarHBondContact O-CB 3.29Å; K90-K93 VanDerWaalsContact O-CG 3.31Å; K90-K93 WeakPolarHBondContact O-CG 3.48Å; K90-K93 PolarHBondContact O-N 3.09Å; K93-E113 PolarHBondContact N-OE1 3.11Å
94L96.8Very high95.7Very high22 Ų2260.6 Ų60.612%0.11536%0.363CS..SBendtrans-99.7141.3170.7-68.7174.2000110.6L87 R89 T98 E113 Q115L87-L94 HydrophobicContact CB-CD2 4.33Å; L87-L94 HydrophobicContact CD1-CD2 4.36Å; R89-L94 HydrophobicContact CB-CD1 4.25Å; R89-L94 HydrophobicContact CB-CD2 4.46Å; R89-L94 HydrophobicContact CB-CG 3.95Å; R89-L94 VanDerWaalsContact CD-CD2 3.44Å; R89-L94 HydrophobicContact CG-CD1 4.09Å; R89-L94 HydrophobicContact CG-CD2 3.68Å; R89-L94 HydrophobicContact CG-CG 3.71Å; L94-T98 HydrophobicContact CB-CG2 3.88Å; L94-E113 HydrophobicContact CB-CG 4.47Å; L94-E113 HydrophobicContact CD1-CG 4.06Å; L94-E113 HydrophobicContact CG-CG 4.38Å; L94-E113 PolarHBondContact N-OE1 2.99Å; L94-Q115 HydrophobicContact CB-CG 4.08Å; L94-Q115 HydrophobicContact CD1-CG 4.14Å; L94-Q115 HydrophobicContact CG-CG 4.47Å
95P96.2Very high94.9Very high90 Ų9063.2 Ų63.258%0.58437%0.369SS*.  trans-78.2163170.334.8-34.7000111Q115P95-Q115 PolarHBondContact O-NE2 3.25Å
96G96.4Very high93.6Very high70 Ų7067.8 Ų67.872%0.72239%0.391SS*.SBendtrans76.5-162.2173.200000114.3
97A97.6Very high92.2Very high55 Ų5575 Ų7546%0.45542%0.417SS..SBendtrans-75.9136.417900000110.6Q115 E116A97-Q115 WeakPolarHBondContact O-CA 3.37Å; A97-E116 HydrophobicContact CB-CB 4.48Å; A97-E116 HydrophobicContact CB-CG 4.15Å; A97-E116 PolarHBondContact O-N 2.92Å; A97-E116 VanDerWaalsContact O-N 3.08Å
98T98Very high91.6Very high43 Ų4374.7 Ų74.726%0.26443%0.43SS..EExtended strand (participates in β ladder)trans-137.7147.2-175.155.50000111.8L94 I114 Q115L94-T98 HydrophobicContact CB-CG2 3.88Å; T98-I114 CarbonylContact C-O 3.54Å; T98-I114 WeakPolarHBondContact CA-O 3.39Å; T98-I114 VanDerWaalsContact CB-O 3.29Å; T98-I114 WeakPolarHBondContact CB-O 3.3Å; T98-Q115 HydrophobicContact CG2-CG 4.33Å
99V97Very high91Very high29 Ų2978.8 Ų78.818%0.17646%0.458CS..EExtended strand (participates in β ladder)trans-98.7140164.6-172.60000108.3E113 I114 E116 L144 R147V99-E113 CarbonylContact O-C 3.48Å; V99-E113 WeakPolarHBondContact O-CA 3.47Å; V99-I114 HydrophobicContact CB-CG2 4.39Å; V99-I114 PolarHBondContact N-O 3.19Å; V99-I114 PolarHBondContact O-N 3.44Å; V99-E116 HydrophobicContact CG2-CG 3.7Å; V99-L144 HydrophobicContact CB-CD2 4.32Å; V99-L144 HydrophobicContact CG1-CD2 4.11Å; V99-L144 WeakPolarHBondContact O-CD2 3.5Å; V99-R147 HydrophobicContact CG1-CB 4.37Å
100S96.9Very high90.6Very high36 Ų3676.9 Ų76.925%0.25246%0.457SS..EExtended strand (participates in β ladder)trans-130.1151.4-178.169.50000113.9E111 V112 R147S100-E111 WeakPolarHBondContact CB-OE1 3.47Å; S100-E111 PolarHBondContact OG-OE1 2.72Å; S100-V112 CarbonylContact C-O 3.52Å; S100-V112 WeakPolarHBondContact CA-O 3.32Å; S100-V112 WeakPolarHBondContact CB-O 3.15Å; S100-R147 PolarHBondContact O-NH1 3.14Å
101V96.4Very high90.6Very high11 Ų1173.4 Ų73.47%0.06744%0.442CS..EExtended strand (participates in β ladder)trans-132.2124.4175.6171.50000108.7E111 V112 A140 E143 L144V101-E111 WeakPolarHBondContact O-CA 3.43Å; V101-V112 PolarHBondContact N-O 3.23Å; V101-V112 PolarHBondContact O-N 3.17Å; V101-A140 HydrophobicContact CG1-CB 3.94Å; V101-E143 HydrophobicContact CG1-CB 4.16Å; V101-E143 HydrophobicContact CG1-CG 4.05Å; V101-E143 HydrophobicContact CG2-CB 4.16Å; V101-E143 HydrophobicContact CG2-CG 3.78Å; V101-L144 HydrophobicContact CB-CD2 4.13Å; V101-L144 HydrophobicContact CB-CG 4.02Å; V101-L144 HydrophobicContact CG2-CD2 3.57Å; V101-L144 HydrophobicContact CG2-CG 3.68Å
102A93.3Very high90.6Very high65 Ų6568 Ų6854%0.53742%0.419SS..EExtended strand (participates in β ladder)trans-83.1148.6171.400000110.9A110 E111A102-A110 CarbonylContact C-O 3.13Å; A102-A110 VanDerWaalsContact CA-O 3.3Å; A102-A110 WeakPolarHBondContact CA-O 3.45Å; A102-E111 HydrophobicContact CB-CG 4.46Å
103Y86.3Confident90.7Very high38 Ų3865.3 Ų65.315%0.14939%0.39CS..EExtended strand (participates in β ladder)trans-144.6150.9173.867.5-80.6000111.3L105 S109 A110 V112 A140Y103-L105 HydrophobicContact CD2-CD2 4.24Å; Y103-L105 HydrophobicContact CE2-CD2 3.61Å; Y103-S109 WeakPolarHBondContact O-CA 3.34Å; Y103-A110 HydrophobicContact CD1-CB 4.3Å; Y103-A110 WeakPolarHBondContact CD1-O 3.29Å; Y103-A110 HydrophobicContact CE1-CB 3.57Å; Y103-A110 HydrophobicContact CE2-CB 4.07Å; Y103-A110 VanDerWaalsContact CZ-CB 3.45Å; Y103-A110 PolarHBondContact N-O 2.84Å; Y103-A110 PolarHBondContact O-N 3.27Å; Y103-A110 WeakPolarHBondContact OH-CB 3.42Å; Y103-V112 HydrophobicContact CE1-CG1 4.04Å; Y103-A140 HydrophobicContact CD1-CB 3.84Å; Y103-A140 HydrophobicContact CG-CB 4.15Å
104D83.9Confident90.8Very high138 Ų13859.4 Ų59.474%0.73836%0.364SS*.EExtended strand (participates in β ladder)trans-80.5139.4-176.2-58.9-40.3000111.9
105L80.2Confident90.8Very high90 Ų9061.3 Ų61.347%0.47137%0.372SS..  trans-104.3169.4165.9-59.1177.8000108.9Y103 Y107 G108 A110Y103-L105 HydrophobicContact CD2-CD2 4.24Å; Y103-L105 HydrophobicContact CE2-CD2 3.61Å; L105-Y107 PolarHBondContact O-N 3.26Å; L105-G108 WeakPolarHBondContact CB-O 3.36Å; L105-G108 PolarHBondContact N-O 2.83Å; L105-A110 HydrophobicContact CD1-CB 3.95Å; L105-A110 HydrophobicContact CD2-CB 4.48Å; L105-A110 HydrophobicContact CG-CB 4.21Å
106E71.7Confident90.8Very high155 Ų15562.3 Ų62.372%0.72437%0.369SS*.SBendtrans-56.5-32.4172.3-165.2-169164.900111.7
107Y69.7Low90.8Very high171 Ų17165.3 Ų65.367%0.67137%0.368SS*.SBendtrans-135.5104.7172.8-56.6-85.1000109.3L105L105-Y107 PolarHBondContact O-N 3.26Å
108G83.2Confident90.8Very high57 Ų5763.8 Ų63.859%0.58836%0.356SS*.SBendtrans92.1-167.9178.300000114.2L105L105-G108 WeakPolarHBondContact CB-O 3.36Å; L105-G108 PolarHBondContact N-O 2.83Å
109S86.6Confident90.8Very high86 Ų8662 Ų6260%0.60135%0.345SS*.EExtended strand (participates in β ladder)trans-125.1148.9177.560.50000110.3Y103Y103-S109 WeakPolarHBondContact O-CA 3.34Å
110A89.9Confident90.8Very high26 Ų2662.9 Ų62.922%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-118.7163.8168.200000109.8A102 Y103 L105A102-A110 CarbonylContact C-O 3.13Å; A102-A110 VanDerWaalsContact CA-O 3.3Å; A102-A110 WeakPolarHBondContact CA-O 3.45Å; Y103-A110 HydrophobicContact CD1-CB 4.3Å; Y103-A110 WeakPolarHBondContact CD1-O 3.29Å; Y103-A110 HydrophobicContact CE1-CB 3.57Å; Y103-A110 HydrophobicContact CE2-CB 4.07Å; Y103-A110 VanDerWaalsContact CZ-CB 3.45Å; Y103-A110 PolarHBondContact N-O 2.84Å; Y103-A110 PolarHBondContact O-N 3.27Å; Y103-A110 WeakPolarHBondContact OH-CB 3.42Å; L105-A110 HydrophobicContact CD1-CB 3.95Å; L105-A110 HydrophobicContact CD2-CB 4.48Å; L105-A110 HydrophobicContact CG-CB 4.21Å
111E93.8Very high90.9Very high53 Ų5365.3 Ų65.325%0.24837%0.371CS..EExtended strand (participates in β ladder)trans-136.3131.6-177.7-166.4174.7162.200109.4K91 S100 V101 A102K91-E111 HydrophobicContact CB-CB 4.14Å; K91-E111 HydrophobicContact CB-CG 4.41Å; K91-E111 HydrophobicContact CD-CB 4.16Å; K91-E111 HydrophobicContact CD-CG 3.96Å; K91-E111 WeakPolarHBondContact CD-OE1 3.3Å; K91-E111 WeakPolarHBondContact CD-OE2 3.49Å; K91-E111 WeakPolarHBondContact CE-OE2 3.46Å; K91-E111 PolarHBondContact N-O 3.46Å; K91-E111 IonicContact NZ-OE1 2.79Å; K91-E111 PolarHBondContact NZ-OE1 2.89Å; K91-E111 IonicContact NZ-OE2 3.17Å; K91-E111 PolarHBondContact NZ-OE2 3.08Å; S100-E111 WeakPolarHBondContact CB-OE1 3.47Å; S100-E111 PolarHBondContact OG-OE1 2.72Å; V101-E111 WeakPolarHBondContact O-CA 3.43Å; A102-E111 HydrophobicContact CB-CG 4.46Å
112V96.3Very high91Very high5 Ų567.1 Ų67.13%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-109.2149.1173-74.40000110V88 R89 S100 V101 Y103 A140 L144V88-V112 HydrophobicContact CG1-CB 3.77Å; V88-V112 HydrophobicContact CG1-CG1 4.21Å; V88-V112 HydrophobicContact CG1-CG2 4.29Å; R89-V112 CarbonylContact O-C 3.5Å; R89-V112 WeakPolarHBondContact O-CA 3.5Å; S100-V112 CarbonylContact C-O 3.52Å; S100-V112 WeakPolarHBondContact CA-O 3.32Å; S100-V112 WeakPolarHBondContact CB-O 3.15Å; V101-V112 PolarHBondContact N-O 3.23Å; V101-V112 PolarHBondContact O-N 3.17Å; Y103-V112 HydrophobicContact CE1-CG1 4.04Å; V112-A140 HydrophobicContact CG2-CB 3.57Å; V112-L144 HydrophobicContact CB-CD1 4.18Å; V112-L144 HydrophobicContact CG2-CD1 3.76Å
113E97.9Very high91.2Very high8 Ų866.7 Ų66.74%0.03738%0.378CS..EExtended strand (participates in β ladder)trans-135.2155.5-177.567.9-176.8-170.100111.9V88 R89 K91 G92 K93 L94 V99V88-E113 WeakPolarHBondContact CA-O 3.47Å; R89-E113 PolarHBondContact N-O 3.01Å; R89-E113 PolarHBondContact O-N 3.16Å; K91-E113 VanDerWaalsContact CA-OE2 3.29Å; K91-E113 WeakPolarHBondContact CA-OE2 3.41Å; G92-E113 PolarHBondContact N-OE1 3.4Å; G92-E113 PolarHBondContact N-OE2 3.02Å; K93-E113 PolarHBondContact N-OE1 3.11Å; L94-E113 HydrophobicContact CB-CG 4.47Å; L94-E113 HydrophobicContact CD1-CG 4.06Å; L94-E113 HydrophobicContact CG-CG 4.38Å; L94-E113 PolarHBondContact N-OE1 2.99Å; V99-E113 CarbonylContact O-C 3.48Å; V99-E113 WeakPolarHBondContact O-CA 3.47Å
114I98.3Very high91.8Very high0 Ų067.9 Ų67.90%038%0.384CS..EExtended strand (participates in β ladder)trans-137.4148.8171.8-170.7167.9000108.6V86 V88 T98 V99 A118 V119 L144 M145 Q148V86-I114 HydrophobicContact CG1-CD1 3.55Å; V86-I114 HydrophobicContact CG1-CG1 4.03Å; V88-I114 HydrophobicContact CG2-CB 4.46Å; V88-I114 HydrophobicContact CG2-CD1 4.27Å; T98-I114 CarbonylContact C-O 3.54Å; T98-I114 WeakPolarHBondContact CA-O 3.39Å; T98-I114 VanDerWaalsContact CB-O 3.29Å; T98-I114 WeakPolarHBondContact CB-O 3.3Å; V99-I114 HydrophobicContact CB-CG2 4.39Å; V99-I114 PolarHBondContact N-O 3.19Å; V99-I114 PolarHBondContact O-N 3.44Å; I114-A118 HydrophobicContact CD1-CB 3.95Å; I114-A118 HydrophobicContact CG1-CB 3.71Å; I114-V119 HydrophobicContact CD1-CG2 3.84Å; I114-L144 HydrophobicContact CB-CD1 4.49Å; I114-L144 HydrophobicContact CG2-CB 4.34Å; I114-L144 HydrophobicContact CG2-CD1 4.38Å; I114-L144 HydrophobicContact CG2-CD2 4.03Å; I114-M145 HydrophobicContact CD1-CE 3.41Å; I114-M145 VanDerWaalsContact CD1-CE 3.41Å; I114-Q148 HydrophobicContact CG2-CG 4.31Å
115Q98Very high92.5Very high62 Ų6261.3 Ų61.329%0.2935%0.349SS..EExtended strand (participates in β ladder)trans-66140.3173-65.9175.3-103.900110.4L94 P95 A97 T98 D117 A118L94-Q115 HydrophobicContact CB-CG 4.08Å; L94-Q115 HydrophobicContact CD1-CG 4.14Å; L94-Q115 HydrophobicContact CG-CG 4.47Å; P95-Q115 PolarHBondContact O-NE2 3.25Å; A97-Q115 WeakPolarHBondContact O-CA 3.37Å; T98-Q115 HydrophobicContact CG2-CG 4.33Å; Q115-D117 WeakPolarHBondContact CB-OD1 3.44Å; Q115-D117 PolarHBondContact O-N 3.24Å; Q115-D117 VanDerWaalsContact O-N 3.16Å; Q115-A118 HydrophobicContact CB-CB 4.2Å; Q115-A118 VanDerWaalsContact O-CB 3.25Å; Q115-A118 WeakPolarHBondContact O-CB 3.22Å; Q115-A118 PolarHBondContact O-N 3.38Å
116E96.4Very high93.4Very high110 Ų11057.1 Ų57.151%0.51433%0.327SS..THydrogen-bonded Turntrans-58.9-28.2-175.1-76.6179.7-17600113.6A97 V99 Q148A97-E116 HydrophobicContact CB-CB 4.48Å; A97-E116 HydrophobicContact CB-CG 4.15Å; A97-E116 PolarHBondContact O-N 2.92Å; A97-E116 VanDerWaalsContact O-N 3.08Å; V99-E116 HydrophobicContact CG2-CG 3.7Å; E116-Q148 PolarHBondContact O-NE2 3.07Å
117D95.8Very high94.6Very high133 Ų13349.8 Ų49.871%0.71129%0.293SS*.THydrogen-bonded Turntrans-970.4-17965.5-22.1000113.7Q115 V119Q115-D117 WeakPolarHBondContact CB-OD1 3.44Å; Q115-D117 PolarHBondContact O-N 3.24Å; Q115-D117 VanDerWaalsContact O-N 3.16Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 2.89Å
118A97.1Very high96Very high24 Ų2441.6 Ų41.620%0.19826%0.261CS..SBendtrans-70.4-26.9-173.200000113.4V86 I114 Q115V86-A118 HydrophobicContact CG1-CB 3.67Å; V86-A118 HydrophobicContact CG2-CB 4.13Å; V86-A118 WeakPolarHBondContact CG2-O 3.35Å; I114-A118 HydrophobicContact CD1-CB 3.95Å; I114-A118 HydrophobicContact CG1-CB 3.71Å; Q115-A118 HydrophobicContact CB-CB 4.2Å; Q115-A118 VanDerWaalsContact O-CB 3.25Å; Q115-A118 WeakPolarHBondContact O-CB 3.22Å; Q115-A118 PolarHBondContact O-N 3.38Å
119V98Very high96.7Very high4 Ų439.5 Ų39.52%0.02424%0.236CC..SBendtrans-136.1123.1-178.7-174.30000109L62 V86 I114 D117 Q123 V125 M145 Q148 A150L62-V119 HydrophobicContact CD2-CG2 3.77Å; V86-V119 HydrophobicContact CG1-CG2 4.42Å; I114-V119 HydrophobicContact CD1-CG2 3.84Å; D117-V119 VanDerWaalsContact C-N 3.3Å; D117-V119 PolarHBondContact O-N 2.89Å; V119-Q123 HydrophobicContact CG1-CB 4.1Å; V119-V125 HydrophobicContact CG1-CG1 4Å; V119-M145 HydrophobicContact CG2-SD 4.13Å; V119-Q148 HydrophobicContact CB-CB 4.08Å; V119-Q148 HydrophobicContact CB-CG 4.42Å; V119-Q148 HydrophobicContact CG1-CB 4.39Å; V119-Q148 PolarHBondContact O-NE2 3.23Å; V119-A150 HydrophobicContact CG1-CB 3.72Å
120A97.2Very high97.2Very high49 Ų4935.4 Ų35.441%0.40521%0.207SC..  trans-83.2148.3174.600000111.1G122 Q123A120-G122 PolarHBondContact O-N 3.49Å; A120-Q123 HydrophobicContact CB-CG 4.05Å; A120-Q123 WeakPolarHBondContact O-CB 3.48Å; A120-Q123 WeakPolarHBondContact O-CG 3.3Å; A120-Q123 PolarHBondContact O-N 2.92Å; A120-Q123 VanDerWaalsContact O-N 3.11Å
121P98.2Very high97.6Very high87 Ų8735.5 Ų35.557%0.56520%0.204SC*.THydrogen-bonded Turntrans-52.6134.4175.9-28.736.2000112.7Q123 Q149P121-Q123 VanDerWaalsContact C-N 3.27Å; P121-Q123 PolarHBondContact O-N 2.89Å; P121-Q149 HydrophobicContact CB-CB 3.94Å; P121-Q149 HydrophobicContact CG-CB 4.39Å
122G98.3Very high97.8Very high48 Ų4833 Ų3350%0.49519%0.192SC..THydrogen-bonded Turntrans79.3-5-179.600000115.4A120 K124 Q149A120-G122 PolarHBondContact O-N 3.49Å; G122-K124 PolarHBondContact O-N 3.26Å; G122-Q149 PolarHBondContact N-O 3.48Å
123Q98.3Very high97.7Very high56 Ų5634.3 Ų34.326%0.26220%0.203SC..  trans-61.5135.6172.7-79.9-171.7-49.600110.7V119 A120 P121 D151V119-Q123 HydrophobicContact CG1-CB 4.1Å; A120-Q123 HydrophobicContact CB-CG 4.05Å; A120-Q123 WeakPolarHBondContact O-CB 3.48Å; A120-Q123 WeakPolarHBondContact O-CG 3.3Å; A120-Q123 PolarHBondContact O-N 2.92Å; A120-Q123 VanDerWaalsContact O-N 3.11Å; P121-Q123 VanDerWaalsContact C-N 3.27Å; P121-Q123 PolarHBondContact O-N 2.89Å; Q123-D151 PolarHBondContact O-N 3.01Å
124K98.7Very high97.5Very high64 Ų6437.5 Ų37.528%0.27822%0.223SC..EExtended strand (participates in β ladder)trans-87.5115.6-179-59178.2-173.1165.60110.3Q59 D61 L62 G122 D151 Q153Q59-K124 HydrophobicContact CB-CD 3.49Å; Q59-K124 VanDerWaalsContact CB-CD 3.49Å; Q59-K124 WeakPolarHBondContact O-CB 3.13Å; Q59-K124 WeakPolarHBondContact O-CD 3.29Å; D61-K124 PolarHBondContact N-O 3.34Å; D61-K124 WeakPolarHBondContact OD2-CB 3.38Å; D61-K124 PolarHBondContact OD2-N 3.02Å; L62-K124 PolarHBondContact N-O 3.22Å; G122-K124 PolarHBondContact O-N 3.26Å; K124-D151 CarbonylContact C-O 3.54Å; K124-D151 VanDerWaalsContact CA-O 3.27Å; K124-D151 WeakPolarHBondContact CA-O 3.34Å; K124-D151 HydrophobicContact CG-CB 4.1Å; K124-Q153 HydrophobicContact CB-CG 3.91Å
125V98.7Very high97.2Very high0 Ų037.8 Ų37.80%023%0.226CC..EExtended strand (participates in β ladder)trans-114.2141.5-170.7-57.90000111.5L62 V64 V119 M145 A150 D151 I152 Q153L62-V125 HydrophobicContact CB-CG1 4.18Å; L62-V125 HydrophobicContact CD2-CG1 4.32Å; L62-V125 WeakPolarHBondContact O-CA 3.48Å; V64-V125 HydrophobicContact CG2-CB 4Å; V64-V125 HydrophobicContact CG2-CG1 4.21Å; V119-V125 HydrophobicContact CG1-CG1 4Å; V125-M145 HydrophobicContact CG1-SD 4.43Å; V125-M145 HydrophobicContact CG2-CB 4.24Å; V125-M145 HydrophobicContact CG2-CG 3.87Å; V125-M145 HydrophobicContact CG2-SD 4.1Å; V125-A150 HydrophobicContact CG1-CB 3.93Å; V125-A150 HydrophobicContact CG2-CB 3.86Å; V125-D151 PolarHBondContact N-O 3.35Å; V125-I152 HydrophobicContact CG2-CB 4.44Å; V125-I152 HydrophobicContact CG2-CG1 4Å; V125-Q153 PolarHBondContact O-N 3.23Å
126L98.7Very high96.9Very high2 Ų235.1 Ų35.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-119.5122171.7-171.670.1000109V53 L58 V60 L62 I63 V64 L77 Q153 M156V53-L126 HydrophobicContact CG2-CD2 3.58Å; L58-L126 HydrophobicContact CD1-CD1 4.37Å; V60-L126 HydrophobicContact CG1-CB 3.9Å; V60-L126 HydrophobicContact CG2-CB 4.18Å; V60-L126 HydrophobicContact CG2-CD2 4.3Å; L62-L126 PolarHBondContact O-N 2.97Å; I63-L126 WeakPolarHBondContact CA-O 3.4Å; I63-L126 HydrophobicContact CD1-CB 3.83Å; I63-L126 HydrophobicContact CD1-CD2 3.83Å; I63-L126 HydrophobicContact CD1-CG 4.35Å; V64-L126 PolarHBondContact N-O 3.35Å; L77-L126 HydrophobicContact CD2-CD2 4.17Å; L126-Q153 HydrophobicContact CD1-CB 4.4Å; L126-M156 HydrophobicContact CD1-CG 4.27Å; L126-M156 HydrophobicContact CD1-SD 3.92Å; L126-M156 HydrophobicContact CD2-CG 4.48Å; L126-M156 HydrophobicContact CD2-SD 3.29Å; L126-M156 WeakPolarHBondContact CD2-SD 3.23Å; L126-M156 HydrophobicContact CG-CG 4.46Å; L126-M156 HydrophobicContact CG-SD 3.85Å
127I98.7Very high96.7Very high0 Ų032 Ų320%021%0.205CC..EExtended strand (participates in β ladder)trans-94.5131.8-173-53.8170.6000109.6V64 L66 L138 A141 C142 M145 I152 G154 C155 M156V64-I127 HydrophobicContact CB-CG1 4.29Å; V64-I127 CarbonylContact O-C 3.53Å; V64-I127 WeakPolarHBondContact O-CA 3.41Å; L66-I127 HydrophobicContact CD1-CG2 3.72Å; L66-I127 HydrophobicContact CG-CG2 4.36Å; I127-L138 HydrophobicContact CB-CD2 4.45Å; I127-L138 HydrophobicContact CG2-CD2 3.69Å; I127-A141 HydrophobicContact CD1-CB 4.43Å; I127-A141 HydrophobicContact CG2-CB 4.22Å; I127-C142 HydrophobicContact CD1-CB 4.47Å; I127-C142 VanDerWaalsContact CD1-SG 3.6Å; I127-M145 HydrophobicContact CD1-CG 3.9Å; I127-M145 HydrophobicContact CG1-CG 4.34Å; I127-I152 HydrophobicContact CD1-CG2 4.22Å; I127-G154 PolarHBondContact N-O 2.7Å; I127-G154 VanDerWaalsContact N-O 3.12Å; I127-C155 HydrophobicContact CB-CB 4.3Å; I127-C155 CarbonylContact O-C 3.53Å; I127-C155 WeakPolarHBondContact O-CA 3.36Å; I127-M156 PolarHBondContact O-N 3.2Å
128I98.4Very high96.7Very high0 Ų025.9 Ų25.90%017%0.171CC..EExtended strand (participates in β ladder)trans-122.8135.2-179.5-84.9177.7000112F49 I63 V64 L66 F73 L77 M156F49-I128 HydrophobicContact CD2-CD1 4.31Å; F49-I128 HydrophobicContact CE2-CD1 4.47Å; I63-I128 HydrophobicContact CG2-CB 4.45Å; I63-I128 HydrophobicContact CG2-CD1 4.11Å; V64-I128 PolarHBondContact O-N 2.83Å; L66-I128 PolarHBondContact N-O 2.93Å; L66-I128 VanDerWaalsContact N-O 3.13Å; F73-I128 HydrophobicContact CB-CG2 4.18Å; L77-I128 HydrophobicContact CB-CD1 4.26Å; L77-I128 HydrophobicContact CD2-CD1 3.35Å; L77-I128 HydrophobicContact CG-CD1 4.43Å; I128-M156 WeakPolarHBondContact CA-O 3.42Å; I128-M156 HydrophobicContact CD1-CB 4.41Å; I128-M156 HydrophobicContact CG1-CB 3.82Å
129D98.1Very high96.7Very high13 Ų1327.4 Ų27.47%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-137.1173.8164.2-152.2-2.5000110.8L66 G70 M156 V157L66-D129 HydrophobicContact CB-CB 4.21Å; L66-D129 HydrophobicContact CD1-CB 3.79Å; G70-D129 PolarHBondContact N-OD1 3.3Å; D129-M156 PolarHBondContact N-O 3.26Å; D129-M156 VanDerWaalsContact N-O 3.17Å; D129-V157 HydrophobicContact CB-CG1 4.26Å; D129-V157 WeakPolarHBondContact O-CA 3.49Å
130D97.7Very high96.6Very high0 Ų027.4 Ų27.40%018%0.176CC..EExtended strand (participates in β ladder)trans-78.2-38.6174.173.6-41.6000113I32 R69 F73 V158 I159I32-D130 HydrophobicContact CD1-CB 3.68Å; R69-D130 HydrophobicContact CB-CB 3.73Å; R69-D130 WeakPolarHBondContact CB-OD1 3.5Å; R69-D130 WeakPolarHBondContact CD-OD2 3.41Å; R69-D130 VanDerWaalsContact CZ-CG 3.42Å; R69-D130 IonicContact CZ-OD1 3.1Å; R69-D130 IonicContact CZ-OD2 2.71Å; R69-D130 IonicContact NE-OD1 2.7Å; R69-D130 PolarHBondContact NE-OD1 3.46Å; R69-D130 IonicContact NE-OD2 3.08Å; R69-D130 PolarHBondContact NE-OD2 3.04Å; R69-D130 VanDerWaalsContact NE-OD2 3.08Å; R69-D130 IonicContact NH1-OD1 3.06Å; R69-D130 IonicContact NH1-OD2 3.32Å; R69-D130 PolarHBondContact NH1-OD2 3.44Å; R69-D130 IonicContact NH2-OD1 3.38Å; R69-D130 PolarHBondContact NH2-OD1 3.19Å; R69-D130 IonicContact NH2-OD2 2.73Å; F73-D130 HydrophobicContact CE2-CB 3.98Å; D130-V158 WeakPolarHBondContact O-CA 3.25Å; D130-V158 WeakPolarHBondContact O-CB 3.43Å; D130-V158 PolarHBondContact O-N 3.31Å; D130-I159 PolarHBondContact O-N 3.11Å
131L97.3Very high96.6Very high28 Ų2825 Ų2515%0.14716%0.157CC..EExtended strand (participates in β ladder)trans-144.7131.2-170-174148.8000113.4R30 A133 I159 L161R30-L131 HydrophobicContact CB-CD1 4.32Å; L131-A133 HydrophobicContact CD2-CB 3.72Å; L131-I159 CarbonylContact C-O 3.55Å; L131-I159 VanDerWaalsContact CA-O 3.25Å; L131-I159 WeakPolarHBondContact CA-O 3.27Å; L131-I159 HydrophobicContact CB-CB 4.36Å; L131-I159 HydrophobicContact CD1-CB 3.95Å; L131-I159 HydrophobicContact CD1-CG2 3.68Å; L131-I159 HydrophobicContact CG-CB 4.05Å; L131-I159 HydrophobicContact CG-CG2 3.99Å; L131-L161 HydrophobicContact CD1-CG 4.49Å; L131-L161 HydrophobicContact CD2-CD1 4.08Å; L131-L161 HydrophobicContact CD2-CG 4.23Å
132L97.2Very high96.6Very high1 Ų120.9 Ų20.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-94.8110.2167176.257.6000110.6G135 L138 V157 I159 E160 L161 A167 L170 I175L132-G135 VanDerWaalsContact CD1-CA 3.41Å; L132-L138 HydrophobicContact CB-CD1 4.32Å; L132-L138 HydrophobicContact CD1-CD1 3.88Å; L132-V157 HydrophobicContact CB-CB 4.45Å; L132-V157 HydrophobicContact CB-CG1 4.1Å; L132-V157 HydrophobicContact CB-CG2 3.9Å; L132-I159 PolarHBondContact N-O 3.46Å; L132-E160 HydrophobicContact CB-CB 4.48Å; L132-E160 HydrophobicContact CB-CG 4.46Å; L132-E160 HydrophobicContact CD2-CG 4.15Å; L132-E160 HydrophobicContact CG-CG 4.43Å; L132-L161 PolarHBondContact O-N 3.35Å; L132-A167 HydrophobicContact CD2-CB 4.16Å; L132-L170 HydrophobicContact CD1-CD1 3.75Å; L132-L170 HydrophobicContact CD2-CD1 4.12Å; L132-I175 HydrophobicContact CD2-CG2 3.77Å
133A94.3Very high96.5Very high31 Ų3122 Ų2226%0.25612%0.122SC..SBendtrans-100.1-106.4170.700000110.3L131 G135 L161 L164 G166L131-A133 HydrophobicContact CD2-CB 3.72Å; A133-G135 VanDerWaalsContact C-N 3.25Å; A133-G135 PolarHBondContact O-N 3.12Å; A133-L161 HydrophobicContact CB-CD1 4.25Å; A133-L164 HydrophobicContact CB-CD1 3.73Å; A133-G166 VanDerWaalsContact O-CA 3.3Å; A133-G166 WeakPolarHBondContact O-CA 3.48Å; A133-G166 PolarHBondContact O-N 3.44Å
134T93.4Very high96.5Very high75 Ų7519.3 Ų19.346%0.4611%0.11SC..SBendtrans-78-6.7176.364.20000113.5G136 L164 R169T134-G136 VanDerWaalsContact C-N 3.35Å; T134-G136 PolarHBondContact O-N 2.92Å; T134-L164 HydrophobicContact CG2-CD1 4.37Å; T134-R169 VanDerWaalsContact O-CD 3.31Å; T134-R169 WeakPolarHBondContact O-CD 3.5Å; T134-R169 PolarHBondContact O-NH1 2.71Å
135G92.4Very high96.4Very high6 Ų616.2 Ų16.26%0.06210%0.097CC..SBendtrans80.3-0.5178.300000116.6L132 A133 T137 L138 L139L132-G135 VanDerWaalsContact CD1-CA 3.41Å; A133-G135 VanDerWaalsContact C-N 3.25Å; A133-G135 PolarHBondContact O-N 3.12Å; G135-T137 PolarHBondContact O-N 3.45Å; G135-L138 PolarHBondContact O-N 2.93Å; G135-L139 VanDerWaalsContact O-CB 3.29Å; G135-L139 WeakPolarHBondContact O-CB 3.18Å; G135-L139 PolarHBondContact O-N 3.02Å
136G92.6Very high96.4Very high7 Ų720.8 Ų20.87%0.07212%0.116CC..Hα-helixtrans-56.4-49.5-175.300000114.3T134 L139 A140T134-G136 VanDerWaalsContact C-N 3.35Å; T134-G136 PolarHBondContact O-N 2.92Å; G136-L139 PolarHBondContact O-N 3.31Å; G136-A140 PolarHBondContact O-N 3.33Å
137T92.8Very high96.3Very high45 Ų4526.7 Ų26.728%0.27614%0.139SC..Hα-helixtrans-65.9-43.9-179.1-47.10000112.5L66 G135 L139 A140 A141L66-T137 HydrophobicContact CD2-CG2 3.74Å; G135-T137 PolarHBondContact O-N 3.45Å; T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.03Å; T137-A140 PolarHBondContact O-N 2.68Å; T137-A141 PolarHBondContact O-N 2.79Å
138L95.8Very high96.2Very high3 Ų327.8 Ų27.82%0.01614%0.143CC..Hα-helixtrans-64.1-39.4176.6-88163000111.6L66 I127 L132 G135 A141 C142 C155 V157 L170L66-L138 HydrophobicContact CD1-CD2 3.45Å; L66-L138 VanDerWaalsContact CD1-CD2 3.45Å; L66-L138 HydrophobicContact CD1-CG 3.86Å; I127-L138 HydrophobicContact CB-CD2 4.45Å; I127-L138 HydrophobicContact CG2-CD2 3.69Å; L132-L138 HydrophobicContact CB-CD1 4.32Å; L132-L138 HydrophobicContact CD1-CD1 3.88Å; G135-L138 PolarHBondContact O-N 2.93Å; L138-A141 PolarHBondContact O-N 3.36Å; L138-C142 PolarHBondContact O-N 2.76Å; L138-C142 PolarHBondContact O-SG 3.38Å; L138-C142 VanDerWaalsContact O-SG 3.34Å; L138-C155 HydrophobicContact CD2-CB 3.84Å; L138-V157 HydrophobicContact CD1-CG1 3.81Å; L138-L170 HydrophobicContact CB-CD1 3.97Å; L138-L170 HydrophobicContact CB-CD2 3.84Å; L138-L170 HydrophobicContact CD1-CD1 4.21Å
139L96.1Very high96.2Very high56 Ų5634.2 Ų34.229%0.29317%0.173SC..Hα-helixtrans-64.3-42176.7-179.562.5000111.2G135 G136 T137 A141 C142 E143 L170G135-L139 VanDerWaalsContact O-CB 3.29Å; G135-L139 WeakPolarHBondContact O-CB 3.18Å; G135-L139 PolarHBondContact O-N 3.02Å; G136-L139 PolarHBondContact O-N 3.31Å; T137-L139 VanDerWaalsContact C-N 3.33Å; T137-L139 PolarHBondContact O-N 3.03Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 2.74Å; L139-C142 PolarHBondContact O-N 2.91Å; L139-E143 PolarHBondContact O-N 2.71Å; L139-L170 HydrophobicContact CB-CD2 4.09Å
140A96.3Very high96.2Very high4 Ų434.2 Ų34.23%0.03318%0.176CC..Hα-helixtrans-62.5-38.5174.900000112V101 Y103 V112 G136 T137 E143 L144V101-A140 HydrophobicContact CG1-CB 3.94Å; Y103-A140 HydrophobicContact CD1-CB 3.84Å; Y103-A140 HydrophobicContact CG-CB 4.15Å; V112-A140 HydrophobicContact CG2-CB 3.57Å; G136-A140 PolarHBondContact O-N 3.33Å; T137-A140 PolarHBondContact O-N 2.68Å; A140-E143 PolarHBondContact O-N 2.86Å; A140-L144 PolarHBondContact O-N 2.8Å
141A97.1Very high96.2Very high0 Ų038 Ų380%020%0.196CC..Hα-helixtrans-66.5-42.7173.400000112.6L66 I127 T137 L138 L139 E143 L144 M145L66-A141 HydrophobicContact CD1-CB 4.29Å; L66-A141 HydrophobicContact CD2-CB 3.61Å; L66-A141 HydrophobicContact CG-CB 4.26Å; I127-A141 HydrophobicContact CD1-CB 4.43Å; I127-A141 HydrophobicContact CG2-CB 4.22Å; T137-A141 PolarHBondContact O-N 2.79Å; L138-A141 PolarHBondContact O-N 3.36Å; L139-A141 VanDerWaalsContact C-N 3.31Å; L139-A141 PolarHBondContact O-N 2.74Å; A141-E143 PolarHBondContact O-N 3.08Å; A141-L144 WeakPolarHBondContact O-CB 3.2Å; A141-L144 PolarHBondContact O-N 3.48Å; A141-M145 WeakPolarHBondContact O-CG 3.25Å; A141-M145 PolarHBondContact O-N 3.06Å
142C97.6Very high96.3Very high0 Ų037.8 Ų37.80%019%0.194CC..Hα-helixtrans-58.3-40172.8-69.50000111.5I127 L138 L139 M145 K146 I152I127-C142 HydrophobicContact CD1-CB 4.47Å; I127-C142 VanDerWaalsContact CD1-SG 3.6Å; L138-C142 PolarHBondContact O-N 2.76Å; L138-C142 PolarHBondContact O-SG 3.38Å; L138-C142 VanDerWaalsContact O-SG 3.34Å; L139-C142 PolarHBondContact O-N 2.91Å; C142-M145 PolarHBondContact O-N 2.92Å; C142-K146 WeakPolarHBondContact O-CG 3.33Å; C142-K146 PolarHBondContact O-N 2.85Å; C142-I152 HydrophobicContact CB-CD1 4.06Å; C142-I152 WeakPolarHBondContact O-CD1 3.4Å
143E97.3Very high96.3Very high70 Ų7039.6 Ų39.633%0.32720%0.203SC..Hα-helixtrans-66.7-40.4176.4-176.656.9-153.900112.3V101 L139 A140 A141 M145 K146 R147V101-E143 HydrophobicContact CG1-CB 4.16Å; V101-E143 HydrophobicContact CG1-CG 4.05Å; V101-E143 HydrophobicContact CG2-CB 4.16Å; V101-E143 HydrophobicContact CG2-CG 3.78Å; L139-E143 PolarHBondContact O-N 2.71Å; A140-E143 PolarHBondContact O-N 2.86Å; A141-E143 PolarHBondContact O-N 3.08Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.32Å; E143-K146 PolarHBondContact O-N 3.4Å; E143-R147 WeakPolarHBondContact O-CG 3.42Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-NE 3.47Å; E143-R147 PolarHBondContact OE1-NE 2.89Å
144L97.3Very high96.5Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-58.4-45.5170.9-77.3172.9000111.5V88 V99 V101 V112 I114 A140 A141 K146 R147 Q148V88-L144 HydrophobicContact CG1-CD1 3.8Å; V88-L144 HydrophobicContact CG2-CD1 4.35Å; V99-L144 HydrophobicContact CB-CD2 4.32Å; V99-L144 HydrophobicContact CG1-CD2 4.11Å; V99-L144 WeakPolarHBondContact O-CD2 3.5Å; V101-L144 HydrophobicContact CB-CD2 4.13Å; V101-L144 HydrophobicContact CB-CG 4.02Å; V101-L144 HydrophobicContact CG2-CD2 3.57Å; V101-L144 HydrophobicContact CG2-CG 3.68Å; V112-L144 HydrophobicContact CB-CD1 4.18Å; V112-L144 HydrophobicContact CG2-CD1 3.76Å; I114-L144 HydrophobicContact CB-CD1 4.49Å; I114-L144 HydrophobicContact CG2-CB 4.34Å; I114-L144 HydrophobicContact CG2-CD1 4.38Å; I114-L144 HydrophobicContact CG2-CD2 4.03Å; A140-L144 PolarHBondContact O-N 2.8Å; A141-L144 WeakPolarHBondContact O-CB 3.2Å; A141-L144 PolarHBondContact O-N 3.48Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.03Å; L144-R147 PolarHBondContact O-N 3.35Å; L144-Q148 WeakPolarHBondContact O-CG 3.42Å; L144-Q148 PolarHBondContact O-N 3.17Å
145M98Very high96.7Very high0 Ų034.8 Ų34.80%017%0.171CC..Hα-helixtrans-62.5-39.6178.5-68.4-46.590.200111.8V64 V88 I114 V119 V125 I127 A141 C142 E143 Q148 Q149 A150 I152V64-M145 HydrophobicContact CG1-CE 4.38Å; V64-M145 HydrophobicContact CG1-SD 4.26Å; V64-M145 HydrophobicContact CG2-SD 3.82Å; V88-M145 HydrophobicContact CG2-CE 4.27Å; I114-M145 HydrophobicContact CD1-CE 3.41Å; I114-M145 VanDerWaalsContact CD1-CE 3.41Å; V119-M145 HydrophobicContact CG2-SD 4.13Å; V125-M145 HydrophobicContact CG1-SD 4.43Å; V125-M145 HydrophobicContact CG2-CB 4.24Å; V125-M145 HydrophobicContact CG2-CG 3.87Å; V125-M145 HydrophobicContact CG2-SD 4.1Å; I127-M145 HydrophobicContact CD1-CG 3.9Å; I127-M145 HydrophobicContact CG1-CG 4.34Å; A141-M145 WeakPolarHBondContact O-CG 3.25Å; A141-M145 PolarHBondContact O-N 3.06Å; C142-M145 PolarHBondContact O-N 2.92Å; E143-M145 VanDerWaalsContact C-N 3.33Å; E143-M145 PolarHBondContact O-N 3.32Å; M145-Q148 CarbonylContact O-C 3.42Å; M145-Q148 PolarHBondContact O-N 2.93Å; M145-Q149 PolarHBondContact O-N 2.9Å; M145-Q149 VanDerWaalsContact O-N 3.14Å; M145-A150 HydrophobicContact CB-CB 4.11Å; M145-A150 WeakPolarHBondContact O-CB 3.42Å; M145-A150 PolarHBondContact O-N 3.16Å; M145-I152 HydrophobicContact CB-CD1 3.78Å; M145-I152 HydrophobicContact CB-CG1 3.78Å; M145-I152 HydrophobicContact CG-CG1 4.47Å
146K96.9Very high97Very high95 Ų9534.6 Ų34.641%0.41317%0.169SC..Hα-helixtrans-61.9-42.3173.7-73.5172.8-173.4172.30112.3C142 E143 L144 Q148 Q149 I152 H173C142-K146 WeakPolarHBondContact O-CG 3.33Å; C142-K146 PolarHBondContact O-N 2.85Å; E143-K146 PolarHBondContact O-N 3.4Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.03Å; K146-Q148 VanDerWaalsContact C-N 3.28Å; K146-Q148 PolarHBondContact O-N 3.14Å; K146-Q149 WeakPolarHBondContact O-CA 3.38Å; K146-Q149 PolarHBondContact O-N 2.92Å; K146-I152 HydrophobicContact CG-CD1 4.08Å; K146-H173 WeakPolarHBondContact CE-NE2 3.27Å; K146-H173 PolarHBondContact NZ-NE2 2.83Å
147R96.5Very high97.3Very high127 Ų12734.2 Ų34.248%0.47917%0.165SC..Hα-helixtrans-63.8-35.2176.5-69.5178-175.2-163.54.3112.4V99 S100 E143 L144 Q149V99-R147 HydrophobicContact CG1-CB 4.37Å; S100-R147 PolarHBondContact O-NH1 3.14Å; E143-R147 WeakPolarHBondContact O-CG 3.42Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-R147 IonicContact OE1-NE 3.47Å; E143-R147 PolarHBondContact OE1-NE 2.89Å; L144-R147 PolarHBondContact O-N 3.35Å; R147-Q149 PolarHBondContact O-N 3.19Å
148Q97Very high97.6Very high22 Ų2232.1 Ų32.110%0.10315%0.152CC..THydrogen-bonded Turntrans-76.91.4171.4-63.9-64.3103.900113.4I114 E116 V119 L144 M145 K146 A150I114-Q148 HydrophobicContact CG2-CG 4.31Å; E116-Q148 PolarHBondContact O-NE2 3.07Å; V119-Q148 HydrophobicContact CB-CB 4.08Å; V119-Q148 HydrophobicContact CB-CG 4.42Å; V119-Q148 HydrophobicContact CG1-CB 4.39Å; V119-Q148 PolarHBondContact O-NE2 3.23Å; L144-Q148 WeakPolarHBondContact O-CG 3.42Å; L144-Q148 PolarHBondContact O-N 3.17Å; M145-Q148 CarbonylContact O-C 3.42Å; M145-Q148 PolarHBondContact O-N 2.93Å; K146-Q148 VanDerWaalsContact C-N 3.28Å; K146-Q148 PolarHBondContact O-N 3.14Å; Q148-A150 PolarHBondContact O-N 3.37Å
149Q97.9Very high97.7Very high135 Ų13532 Ų3263%0.63115%0.151SC*.THydrogen-bonded Turntrans5931.7-178.6-56.8170.655.700113.5P121 G122 M145 K146 R147P121-Q149 HydrophobicContact CB-CB 3.94Å; P121-Q149 HydrophobicContact CG-CB 4.39Å; G122-Q149 PolarHBondContact N-O 3.48Å; M145-Q149 PolarHBondContact O-N 2.9Å; M145-Q149 VanDerWaalsContact O-N 3.14Å; K146-Q149 WeakPolarHBondContact O-CA 3.38Å; K146-Q149 PolarHBondContact O-N 2.92Å; R147-Q149 PolarHBondContact O-N 3.19Å
150A98.4Very high97.8Very high14 Ų1430.3 Ų30.312%0.11614%0.142CC..  trans-78.7151.8177.600000112.2V119 V125 M145 Q148V119-A150 HydrophobicContact CG1-CB 3.72Å; V125-A150 HydrophobicContact CG1-CB 3.93Å; V125-A150 HydrophobicContact CG2-CB 3.86Å; M145-A150 HydrophobicContact CB-CB 4.11Å; M145-A150 WeakPolarHBondContact O-CB 3.42Å; M145-A150 PolarHBondContact O-N 3.16Å; Q148-A150 PolarHBondContact O-N 3.37Å
151D98.3Very high97.9Very high79 Ų7931.9 Ų31.942%0.42215%0.15SC..EExtended strand (participates in β ladder)trans-92.4101.5173.3-178.512.4000110.4Q123 K124 V125 Q153Q123-D151 PolarHBondContact O-N 3.01Å; K124-D151 CarbonylContact C-O 3.54Å; K124-D151 VanDerWaalsContact CA-O 3.27Å; K124-D151 WeakPolarHBondContact CA-O 3.34Å; K124-D151 HydrophobicContact CG-CB 4.1Å; V125-D151 PolarHBondContact N-O 3.35Å; D151-Q153 PolarHBondContact O-N 2.7Å; D151-Q153 PolarHBondContact O-NE2 3.46Å; D151-Q153 PolarHBondContact OD1-NE2 3.12Å; D151-Q153 PolarHBondContact OD2-NE2 3.3Å
152I98.4Very high97.8Very high23 Ų2338.2 Ų38.212%0.11817%0.174CC..EExtended strand (participates in β ladder)trans-78.7106.3-173.5-56.6165.3000110.1V125 I127 C142 M145 K146 G154V125-I152 HydrophobicContact CG2-CB 4.44Å; V125-I152 HydrophobicContact CG2-CG1 4Å; I127-I152 HydrophobicContact CD1-CG2 4.22Å; C142-I152 HydrophobicContact CB-CD1 4.06Å; C142-I152 WeakPolarHBondContact O-CD1 3.4Å; M145-I152 HydrophobicContact CB-CD1 3.78Å; M145-I152 HydrophobicContact CB-CG1 3.78Å; M145-I152 HydrophobicContact CG-CG1 4.47Å; K146-I152 HydrophobicContact CG-CD1 4.08Å; I152-G154 VanDerWaalsContact C-N 3.28Å; I152-G154 PolarHBondContact O-N 2.8Å
153Q98.3Very high97.7Very high39 Ų3945 Ų4518%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-73.7-20.8179-57.5-56.9-6900113.1Q59 V60 K124 V125 L126 D151Q59-Q153 VanDerWaalsContact O-CG 3.24Å; Q59-Q153 WeakPolarHBondContact O-CG 3.34Å; Q59-Q153 PolarHBondContact O-OE1 2.69Å; V60-Q153 HydrophobicContact CG2-CG 4.45Å; K124-Q153 HydrophobicContact CB-CG 3.91Å; V125-Q153 PolarHBondContact O-N 3.23Å; L126-Q153 HydrophobicContact CD1-CB 4.4Å; D151-Q153 PolarHBondContact O-N 2.7Å; D151-Q153 PolarHBondContact O-NE2 3.46Å; D151-Q153 PolarHBondContact OD1-NE2 3.12Å; D151-Q153 PolarHBondContact OD2-NE2 3.3Å
154G97.9Very high97.5Very high4 Ų445.7 Ų45.74%0.04122%0.215CC..EExtended strand (participates in β ladder)trans151.2-173.1177.300000112.4I127 I152 N174I127-G154 PolarHBondContact N-O 2.7Å; I127-G154 VanDerWaalsContact N-O 3.12Å; I152-G154 VanDerWaalsContact C-N 3.28Å; I152-G154 PolarHBondContact O-N 2.8Å; G154-N174 CarbonylContact C-O 3.43Å; G154-N174 VanDerWaalsContact CA-O 3.28Å; G154-N174 WeakPolarHBondContact CA-O 3.31Å
155C98.5Very high97.4Very high2 Ų252.5 Ų52.51%0.01425%0.245CC..EExtended strand (participates in β ladder)trans-126.7150.7169.5-38.60000111.5I127 L138 N174 I175 F176I127-C155 HydrophobicContact CB-CB 4.3Å; I127-C155 CarbonylContact O-C 3.53Å; I127-C155 WeakPolarHBondContact O-CA 3.36Å; L138-C155 HydrophobicContact CD2-CB 3.84Å; C155-N174 PolarHBondContact N-O 2.73Å; C155-I175 HydrophobicContact CB-CD1 3.49Å; C155-I175 VanDerWaalsContact CB-CD1 3.49Å; C155-I175 WeakPolarHBondContact O-CA 3.31Å; C155-F176 PolarHBondContact O-N 3.47Å
156M98.6Very high97.3Very high1 Ų152.5 Ų52.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-130.5133.5-178.6-69.4171.864.600110.6F49 H52 V53 L77 L126 I127 I128 D129 F176F49-M156 HydrophobicContact CB-CE 3.31Å; F49-M156 HydrophobicContact CD1-CB 4.44Å; F49-M156 HydrophobicContact CD1-CE 3.19Å; F49-M156 HydrophobicContact CD2-CE 4.36Å; F49-M156 HydrophobicContact CE1-CB 4.15Å; F49-M156 HydrophobicContact CE1-CE 4Å; F49-M156 HydrophobicContact CG-CE 3.39Å; F49-M156 HydrophobicContact CZ-CB 4.48Å; F49-M156 WeakPolarHBondContact O-CE 3.43Å; H52-M156 HydrophobicContact CB-CE 4.35Å; V53-M156 HydrophobicContact CG2-CE 4.36Å; V53-M156 HydrophobicContact CG2-SD 4.01Å; L77-M156 HydrophobicContact CD2-CE 4.37Å; L126-M156 HydrophobicContact CD1-CG 4.27Å; L126-M156 HydrophobicContact CD1-SD 3.92Å; L126-M156 HydrophobicContact CD2-CG 4.48Å; L126-M156 HydrophobicContact CD2-SD 3.29Å; L126-M156 WeakPolarHBondContact CD2-SD 3.23Å; L126-M156 HydrophobicContact CG-CG 4.46Å; L126-M156 HydrophobicContact CG-SD 3.85Å; I127-M156 PolarHBondContact O-N 3.2Å; I128-M156 WeakPolarHBondContact CA-O 3.42Å; I128-M156 HydrophobicContact CD1-CB 4.41Å; I128-M156 HydrophobicContact CG1-CB 3.82Å; D129-M156 PolarHBondContact N-O 3.26Å; D129-M156 VanDerWaalsContact N-O 3.17Å; M156-F176 CarbonylContact C-O 3.57Å; M156-F176 VanDerWaalsContact CA-O 3.3Å; M156-F176 WeakPolarHBondContact CA-O 3.39Å; M156-F176 HydrophobicContact CE-CD1 3.89Å; M156-F176 HydrophobicContact CE-CE1 4.3Å; M156-F176 HydrophobicContact CG-CB 4.1Å; M156-F176 HydrophobicContact CG-CD1 4.14Å
157V98.7Very high97.3Very high0 Ų049.3 Ų49.30%024%0.236CC..EExtended strand (participates in β ladder)trans-135151.7178.6-63.40000111.6D129 L132 L138 I159 F176 S177 L178D129-V157 HydrophobicContact CB-CG1 4.26Å; D129-V157 WeakPolarHBondContact O-CA 3.49Å; L132-V157 HydrophobicContact CB-CB 4.45Å; L132-V157 HydrophobicContact CB-CG1 4.1Å; L132-V157 HydrophobicContact CB-CG2 3.9Å; L138-V157 HydrophobicContact CD1-CG1 3.81Å; V157-I159 WeakPolarHBondContact CG2-O 3.5Å; V157-F176 PolarHBondContact N-O 3.22Å; V157-S177 WeakPolarHBondContact O-CA 3.45Å; V157-L178 PolarHBondContact O-N 3.37Å; V157-L178 VanDerWaalsContact O-N 3.15Å
158V98.6Very high97.3Very high0 Ų047.3 Ų47.30%024%0.235CC..EExtended strand (participates in β ladder)trans-72.9-42173.9-1760000109.8V12 I35 V45 F49 F73 D130 L178 L179V12-V158 HydrophobicContact CG1-CG1 4.11Å; I35-V158 HydrophobicContact CD1-CG1 4.13Å; V45-V158 HydrophobicContact CG1-CG2 3.94Å; V45-V158 HydrophobicContact CG2-CG1 4.41Å; F49-V158 HydrophobicContact CE2-CG2 4.21Å; F49-V158 HydrophobicContact CZ-CG2 3.92Å; F73-V158 HydrophobicContact CD2-CG2 3.93Å; F73-V158 HydrophobicContact CE1-CG2 4.3Å; F73-V158 HydrophobicContact CE2-CG2 3.66Å; F73-V158 HydrophobicContact CG-CG2 4.36Å; F73-V158 HydrophobicContact CZ-CG2 3.86Å; D130-V158 WeakPolarHBondContact O-CA 3.25Å; D130-V158 WeakPolarHBondContact O-CB 3.43Å; D130-V158 PolarHBondContact O-N 3.31Å; V158-L178 HydrophobicContact CG1-CD1 4.49Å; V158-L178 WeakPolarHBondContact O-CB 3.37Å; V158-L179 PolarHBondContact O-N 3.34Å
159I98.6Very high97.1Very high0 Ų052.2 Ų52.20%025%0.253CS..EExtended strand (participates in β ladder)trans-125.9137-176.3-63.4-178.5000110.8V16 R30 I32 D130 L131 L132 V157 L161 L179 Y181V16-I159 HydrophobicContact CG1-CD1 3.83Å; V16-I159 HydrophobicContact CG2-CD1 3.95Å; R30-I159 HydrophobicContact CB-CD1 3.73Å; I32-I159 HydrophobicContact CG2-CD1 3.66Å; I32-I159 HydrophobicContact CG2-CG1 4.38Å; D130-I159 PolarHBondContact O-N 3.11Å; L131-I159 CarbonylContact C-O 3.55Å; L131-I159 VanDerWaalsContact CA-O 3.25Å; L131-I159 WeakPolarHBondContact CA-O 3.27Å; L131-I159 HydrophobicContact CB-CB 4.36Å; L131-I159 HydrophobicContact CD1-CB 3.95Å; L131-I159 HydrophobicContact CD1-CG2 3.68Å; L131-I159 HydrophobicContact CG-CB 4.05Å; L131-I159 HydrophobicContact CG-CG2 3.99Å; L132-I159 PolarHBondContact N-O 3.46Å; V157-I159 WeakPolarHBondContact CG2-O 3.5Å; I159-L161 HydrophobicContact CG2-CD2 4.11Å; I159-L179 CarbonylContact C-O 3.48Å; I159-L179 WeakPolarHBondContact CA-O 3.46Å; I159-L179 HydrophobicContact CG1-CB 4.4Å; I159-L179 HydrophobicContact CG1-CD1 4.44Å; I159-Y181 HydrophobicContact CD1-CE2 4.18Å; I159-Y181 HydrophobicContact CG1-CE2 4.24Å; I159-Y181 HydrophobicContact CG2-CD2 3.67Å; I159-Y181 HydrophobicContact CG2-CE2 3.96Å
160E98.3Very high97Very high21 Ų2145.8 Ų45.810%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-119132.6166.7177.3-176.4178.200110.1L132 R162 S177 L179 Q180 Y181L132-E160 HydrophobicContact CB-CB 4.48Å; L132-E160 HydrophobicContact CB-CG 4.46Å; L132-E160 HydrophobicContact CD2-CG 4.15Å; L132-E160 HydrophobicContact CG-CG 4.43Å; E160-R162 HydrophobicContact CG-CG 4.17Å; E160-S177 WeakPolarHBondContact OE2-CB 3.4Å; E160-S177 PolarHBondContact OE2-OG 3.07Å; E160-L179 PolarHBondContact N-O 3.17Å; E160-Q180 HydrophobicContact CB-CG 4.28Å; E160-Q180 WeakPolarHBondContact O-CA 3.44Å; E160-Y181 PolarHBondContact O-N 3.49Å
161L97.1Very high96.8Very high38 Ų3852 Ų5220%0.19925%0.247CC..  trans-97.994.6171.7-55.7-177.8000109R30 L131 L132 A133 I159 D163 L164 Y181R30-L161 HydrophobicContact CG-CD2 4.26Å; L131-L161 HydrophobicContact CD1-CG 4.49Å; L131-L161 HydrophobicContact CD2-CD1 4.08Å; L131-L161 HydrophobicContact CD2-CG 4.23Å; L132-L161 PolarHBondContact O-N 3.35Å; A133-L161 HydrophobicContact CB-CD1 4.25Å; I159-L161 HydrophobicContact CG2-CD2 4.11Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.48Å; L161-L164 HydrophobicContact CB-CD1 4.02Å; L161-L164 HydrophobicContact CB-CG 4.25Å; L161-L164 HydrophobicContact CD1-CD1 3.89Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-Y181 CarbonylContact C-O 3.55Å; L161-Y181 WeakPolarHBondContact CA-O 3.27Å
162R96.3Very high96.6Very high132 Ų13253.5 Ų53.550%0.49826%0.262SS..G310 helixtrans-65.1-33.4-168.9-75.2-173.4157.5-168.7-7.2113.3E160 L164 K165 Q180 Y181E160-R162 HydrophobicContact CG-CG 4.17Å; R162-L164 PolarHBondContact O-N 2.75Å; R162-L164 VanDerWaalsContact O-N 3.1Å; R162-K165 PolarHBondContact O-N 3.2Å; R162-Q180 HydrophobicContact CG-CB 4.3Å; R162-Q180 VanDerWaalsContact NE-CD 3.31Å; R162-Y181 PolarHBondContact N-O 3.48Å
163D94.4Very high96.5Very high142 Ų14253.9 Ų53.976%0.75926%0.263SS*.G310 helixtrans-60.1-22.8178.2-69.8-21.1000113.1L161L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.48Å
164L94.2Very high96.3Very high85 Ų8558 Ų5845%0.44529%0.286SS..G310 helixtrans-88.8-4.2178.9-59.3-177.9000113.8A133 T134 L161 R162 G166A133-L164 HydrophobicContact CB-CD1 3.73Å; T134-L164 HydrophobicContact CG2-CD1 4.37Å; L161-L164 HydrophobicContact CB-CD1 4.02Å; L161-L164 HydrophobicContact CB-CG 4.25Å; L161-L164 HydrophobicContact CD1-CD1 3.89Å; L161-L164 PolarHBondContact O-N 3.02Å; L161-L164 VanDerWaalsContact O-N 3.16Å; R162-L164 PolarHBondContact O-N 2.75Å; R162-L164 VanDerWaalsContact O-N 3.1Å; L164-G166 PolarHBondContact O-N 2.93Å
165K95.8Very high96.3Very high143 Ų14359.8 Ų59.862%0.62229%0.294SS*.THydrogen-bonded Turntrans51.432.5175.2-54.9-176.8-177.7-1800114.1R162 A167 D168R162-K165 PolarHBondContact O-N 3.2Å; K165-A167 VanDerWaalsContact C-N 3.27Å; K165-A167 PolarHBondContact O-N 2.96Å; K165-D168 PolarHBondContact O-N 2.99Å
166G95.4Very high96.3Very high1 Ų162.3 Ų62.31%0.0131%0.305CS..Hα-helixtrans-60.6-35.9-178.600000113.2A133 L164 D168 R169A133-G166 VanDerWaalsContact O-CA 3.3Å; A133-G166 WeakPolarHBondContact O-CA 3.48Å; A133-G166 PolarHBondContact O-N 3.44Å; L164-G166 PolarHBondContact O-N 2.93Å; G166-D168 VanDerWaalsContact C-N 3.27Å; G166-D168 PolarHBondContact O-N 3.14Å; G166-R169 PolarHBondContact O-N 2.95Å
167A96.1Very high96.3Very high27 Ų2762.8 Ų62.822%0.22331%0.308CS..Hα-helixtrans-62.8-32.417900000112.7L132 K165 R169 L170 I175L132-A167 HydrophobicContact CD2-CB 4.16Å; K165-A167 VanDerWaalsContact C-N 3.27Å; K165-A167 PolarHBondContact O-N 2.96Å; A167-R169 VanDerWaalsContact C-N 3.27Å; A167-R169 PolarHBondContact O-N 2.95Å; A167-L170 PolarHBondContact O-N 3.12Å; A167-L170 VanDerWaalsContact O-N 3.13Å; A167-I175 HydrophobicContact CB-CG1 4.41Å
168D95.9Very high96.3Very high85 Ų8563.4 Ų63.446%0.45531%0.312SS..Hα-helixtrans-64.1-35.1178.1-74.7-33.3000112.1K165 G166 L170 K171K165-D168 PolarHBondContact O-N 2.99Å; G166-D168 VanDerWaalsContact C-N 3.27Å; G166-D168 PolarHBondContact O-N 3.14Å; D168-L170 PolarHBondContact O-N 3.46Å; D168-K171 PolarHBondContact O-N 3.39Å; D168-K171 IonicContact OD1-NZ 3.2Å; D168-K171 PolarHBondContact OD1-NZ 3Å
169R93.6Very high96.3Very high125 Ų12563.9 Ų63.947%0.47231%0.314SS..Hα-helixtrans-73-18.1177.6-67.2-178.863-163.88113.4T134 G166 A167T134-R169 VanDerWaalsContact O-CD 3.31Å; T134-R169 WeakPolarHBondContact O-CD 3.5Å; T134-R169 PolarHBondContact O-NH1 2.71Å; G166-R169 PolarHBondContact O-N 2.95Å; A167-R169 VanDerWaalsContact C-N 3.27Å; A167-R169 PolarHBondContact O-N 2.95Å
170L95.1Very high96.2Very high0 Ų068.3 Ų68.30%034%0.335CS..Hα-helixtrans-90.5-8.2-178.6-72.5160.8000112.6L132 L138 L139 A167 D168 H173 I175L132-L170 HydrophobicContact CD1-CD1 3.75Å; L132-L170 HydrophobicContact CD2-CD1 4.12Å; L138-L170 HydrophobicContact CB-CD1 3.97Å; L138-L170 HydrophobicContact CB-CD2 3.84Å; L138-L170 HydrophobicContact CD1-CD1 4.21Å; L139-L170 HydrophobicContact CB-CD2 4.09Å; A167-L170 PolarHBondContact O-N 3.12Å; A167-L170 VanDerWaalsContact O-N 3.13Å; D168-L170 PolarHBondContact O-N 3.46Å; L170-H173 WeakPolarHBondContact O-CA 3.33Å; L170-H173 VanDerWaalsContact O-CB 3.23Å; L170-H173 WeakPolarHBondContact O-CB 3.44Å; L170-H173 PolarHBondContact O-CD2 2.95Å; L170-H173 VanDerWaalsContact O-CD2 3.24Å; L170-H173 PolarHBondContact O-N 3.02Å; L170-I175 HydrophobicContact CB-CD1 3.87Å; L170-I175 HydrophobicContact CB-CG1 4.04Å; L170-I175 HydrophobicContact CD1-CD1 3.47Å; L170-I175 VanDerWaalsContact CD1-CD1 3.47Å; L170-I175 HydrophobicContact CD1-CG1 3.95Å; L170-I175 HydrophobicContact CG-CD1 4.16Å
171K94.4Very high96Very high145 Ų14570.8 Ų70.863%0.6334%0.344SS*.THydrogen-bonded Turntrans-55136.4174-70.6173.8176.9159.40110.5D168D168-K171 PolarHBondContact O-N 3.39Å; D168-K171 IonicContact OD1-NZ 3.2Å; D168-K171 PolarHBondContact OD1-NZ 3Å
172P94.8Very high96Very high111 Ų11172.5 Ų72.572%0.72135%0.351SS*.THydrogen-bonded Turncis-87.76.510.736.5-37.4000115.3
173H95.8Very high96Very high31 Ų3169.3 Ų69.314%0.14434%0.343CS..SBendtrans-72136.1-177.2-52.7-64.8000111.7K146 L170K146-H173 WeakPolarHBondContact CE-NE2 3.27Å; K146-H173 PolarHBondContact NZ-NE2 2.83Å; L170-H173 WeakPolarHBondContact O-CA 3.33Å; L170-H173 VanDerWaalsContact O-CB 3.23Å; L170-H173 WeakPolarHBondContact O-CB 3.44Å; L170-H173 PolarHBondContact O-CD2 2.95Å; L170-H173 VanDerWaalsContact O-CD2 3.24Å; L170-H173 PolarHBondContact O-N 3.02Å
174N95.6Very high96.1Very high124 Ų12465.3 Ų65.366%0.66332%0.32SS*.  trans-73139.8176.8-68.8-34.8000110.8G154 C155G154-N174 CarbonylContact C-O 3.43Å; G154-N174 VanDerWaalsContact CA-O 3.28Å; G154-N174 WeakPolarHBondContact CA-O 3.31Å; C155-N174 PolarHBondContact N-O 2.73Å
175I97.4Very high96.2Very high42 Ų4264.1 Ų64.122%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-119.6130.1176.4-55.2-59.3000109.4L132 C155 A167 L170L132-I175 HydrophobicContact CD2-CG2 3.77Å; C155-I175 HydrophobicContact CB-CD1 3.49Å; C155-I175 VanDerWaalsContact CB-CD1 3.49Å; C155-I175 WeakPolarHBondContact O-CA 3.31Å; A167-I175 HydrophobicContact CB-CG1 4.41Å; L170-I175 HydrophobicContact CB-CD1 3.87Å; L170-I175 HydrophobicContact CB-CG1 4.04Å; L170-I175 HydrophobicContact CD1-CD1 3.47Å; L170-I175 VanDerWaalsContact CD1-CD1 3.47Å; L170-I175 HydrophobicContact CD1-CG1 3.95Å; L170-I175 HydrophobicContact CG-CD1 4.16Å
176F98.3Very high96.2Very high55 Ų5559.2 Ų59.224%0.24129%0.294CS..EExtended strand (participates in β ladder)trans-115.4124.1170.3175.9-108.5000110.3F49 H52 C155 M156 V157 L178F49-F176 HydrophobicContact CD1-CD1 4.24Å; F49-F176 HydrophobicContact CD1-CE1 4.02Å; F49-F176 HydrophobicContact CE1-CD1 4.42Å; F49-F176 HydrophobicContact CE1-CE1 4.42Å; H52-F176 HydrophobicContact CB-CD1 3.91Å; H52-F176 HydrophobicContact CB-CE1 3.54Å; H52-F176 HydrophobicContact CB-CE2 4.36Å; H52-F176 HydrophobicContact CB-CG 4.43Å; H52-F176 HydrophobicContact CB-CZ 3.8Å; H52-F176 AromaticContact CD2-CD1 3.76Å; H52-F176 AromaticContact CD2-CG 3.73Å; H52-F176 AromaticContact CE1-CD2 3.51Å; H52-F176 AromaticContact CE1-CG 3.61Å; H52-F176 AromaticContact CG-CD1 3.57Å; H52-F176 AromaticContact CG-CD2 3.87Å; H52-F176 AromaticContact CG-CE1 3.68Å; H52-F176 AromaticContact CG-CE2 4Å; H52-F176 AromaticContact CG-CG 3.65Å; H52-F176 AromaticContact CG-CZ 3.9Å; H52-F176 AromaticContact ND1-CD1 3.95Å; H52-F176 AromaticContact ND1-CD2 3.34Å; H52-F176 VanDerWaalsContact ND1-CD2 3.34Å; H52-F176 WeakPolarHBondContact ND1-CD2 3.16Å; H52-F176 AromaticContact ND1-CE2 3.51Å; H52-F176 AromaticContact ND1-CG 3.57Å; H52-F176 AromaticContact ND1-CZ 3.86Å; H52-F176 AromaticContact NE2-CG 3.71Å; C155-F176 PolarHBondContact O-N 3.47Å; M156-F176 CarbonylContact C-O 3.57Å; M156-F176 VanDerWaalsContact CA-O 3.3Å; M156-F176 WeakPolarHBondContact CA-O 3.39Å; M156-F176 HydrophobicContact CE-CD1 3.89Å; M156-F176 HydrophobicContact CE-CE1 4.3Å; M156-F176 HydrophobicContact CG-CB 4.1Å; M156-F176 HydrophobicContact CG-CD1 4.14Å; V157-F176 PolarHBondContact N-O 3.22Å; F176-L178 HydrophobicContact CD1-CD2 4.49Å; F176-L178 HydrophobicContact CE1-CD2 3.51Å; F176-L178 HydrophobicContact CZ-CD2 3.8Å
177S98.4Very high96.2Very high11 Ų1163.1 Ų63.18%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-119.7135.3178.652.50000110.3V157 E160 Q180V157-S177 WeakPolarHBondContact O-CA 3.45Å; E160-S177 WeakPolarHBondContact OE2-CB 3.4Å; E160-S177 PolarHBondContact OE2-OG 3.07Å; S177-Q180 WeakPolarHBondContact OG-CG 3.34Å; S177-Q180 PolarHBondContact OG-NE2 2.96Å
178L98.3Very high96.3Very high14 Ų1465.6 Ų65.67%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-73.7-46.6176-59.8-177.1000111.2L9 V45 L48 F49 V157 V158 F176L9-L178 HydrophobicContact CD2-CB 3.97Å; L9-L178 HydrophobicContact CD2-CD2 4.43Å; L9-L178 VanDerWaalsContact CD2-O 3.25Å; L9-L178 WeakPolarHBondContact CD2-O 3.42Å; V45-L178 HydrophobicContact CB-CD1 4.19Å; V45-L178 HydrophobicContact CG1-CD1 3.87Å; V45-L178 HydrophobicContact CG2-CD1 4.11Å; L48-L178 HydrophobicContact CB-CD1 4.37Å; L48-L178 HydrophobicContact CB-CD2 3.63Å; L48-L178 HydrophobicContact CD1-CD1 4.33Å; L48-L178 HydrophobicContact CD1-CD2 4.2Å; L48-L178 HydrophobicContact CG-CD2 4.5Å; F49-L178 HydrophobicContact CD1-CD1 4.05Å; F49-L178 HydrophobicContact CD1-CD2 3.82Å; F49-L178 HydrophobicContact CD1-CG 3.99Å; F49-L178 HydrophobicContact CE1-CD1 3.71Å; F49-L178 HydrophobicContact CE1-CD2 3.83Å; F49-L178 HydrophobicContact CE1-CG 3.51Å; F49-L178 HydrophobicContact CZ-CD1 4.04Å; F49-L178 HydrophobicContact CZ-CG 4.2Å; V157-L178 PolarHBondContact O-N 3.37Å; V157-L178 VanDerWaalsContact O-N 3.15Å; V158-L178 HydrophobicContact CG1-CD1 4.49Å; V158-L178 WeakPolarHBondContact O-CB 3.37Å; F176-L178 HydrophobicContact CD1-CD2 4.49Å; F176-L178 HydrophobicContact CE1-CD2 3.51Å; F176-L178 HydrophobicContact CZ-CD2 3.8Å
179L98.4Very high96.3Very high10 Ų1064.2 Ų64.25%0.05231%0.308CS..EExtended strand (participates in β ladder)trans-121.3139.2-178.6-56.3177.6000110.1L9 V12 Q13 V16 V158 I159 E160 Y181L9-L179 HydrophobicContact CD2-CD2 4.47Å; V12-L179 HydrophobicContact CG1-CD1 3.92Å; V12-L179 HydrophobicContact CG1-CG 4.4Å; Q13-L179 HydrophobicContact CB-CD1 4.22Å; Q13-L179 HydrophobicContact CB-CD2 3.79Å; Q13-L179 HydrophobicContact CG-CD1 4.46Å; Q13-L179 HydrophobicContact CG-CD2 4.16Å; V16-L179 HydrophobicContact CG2-CD1 3.57Å; V158-L179 PolarHBondContact O-N 3.34Å; I159-L179 CarbonylContact C-O 3.48Å; I159-L179 WeakPolarHBondContact CA-O 3.46Å; I159-L179 HydrophobicContact CG1-CB 4.4Å; I159-L179 HydrophobicContact CG1-CD1 4.44Å; E160-L179 PolarHBondContact N-O 3.17Å; L179-Y181 HydrophobicContact CB-CE2 3.93Å; L179-Y181 HydrophobicContact CD1-CE2 4.39Å
180Q97.6Very high96.5Very high92 Ų9259.1 Ų59.143%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-123.7125.2179.8-70.2160.6-4.700108.7E160 R162 S177E160-Q180 HydrophobicContact CB-CG 4.28Å; E160-Q180 WeakPolarHBondContact O-CA 3.44Å; R162-Q180 HydrophobicContact CG-CB 4.3Å; R162-Q180 VanDerWaalsContact NE-CD 3.31Å; S177-Q180 WeakPolarHBondContact OG-CG 3.34Å; S177-Q180 PolarHBondContact OG-NE2 2.96Å
181Y94.2Very high96.6Very high74 Ų7464.5 Ų64.529%0.2932%0.322SS..  trans-1200175.8-62.7-85.1000111.2R30 I159 E160 L161 R162 L179R30-Y181 HydrophobicContact CG-CD2 4.39Å; R30-Y181 VanDerWaalsContact CZ-CD1 3.5Å; I159-Y181 HydrophobicContact CD1-CE2 4.18Å; I159-Y181 HydrophobicContact CG1-CE2 4.24Å; I159-Y181 HydrophobicContact CG2-CD2 3.67Å; I159-Y181 HydrophobicContact CG2-CE2 3.96Å; E160-Y181 PolarHBondContact O-N 3.49Å; L161-Y181 CarbonylContact C-O 3.55Å; L161-Y181 WeakPolarHBondContact CA-O 3.27Å; R162-Y181 PolarHBondContact N-O 3.48Å; L179-Y181 HydrophobicContact CB-CE2 3.93Å; L179-Y181 HydrophobicContact CD1-CE2 4.39Å

Retrieved 181 of 181 residues in 843.7 ms (Link to these results)

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