A0A087XQJ0_POEFO Loading...

SH3 domain binding glutamate-rich protein

AlphaFold DB , UniProt , Accession A0A087XQJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 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
1M83.4Confident93.9Very high146 Ų14643.8 Ų43.872%0.71925%0.252SS*.  0108.30-69.4-179.9176.400106.9E72 L97M1-E72 WeakPolarHBondContact CA-OE1 3.22Å; M1-E72 PolarHBondContact N-OE1 3.26Å; M1-L97 HydrophobicContact CB-CD2 3.95Å; M1-L97 HydrophobicContact CG-CD2 4.38Å; M1-L97 HydrophobicContact SD-CD2 3.79Å
2V90.9Very high93.4Very high73 Ų7344.8 Ų44.844%0.44228%0.279SS..  trans-129.7119.8175.1179.20000106.2A35 E72V2-A35 HydrophobicContact CG1-CB 4.41Å; V2-E72 PolarHBondContact O-N 3.21Å
3I97.7Very high93.2Very high1 Ų141.8 Ų41.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-75.6129.4174.3-57.5-52.2000107.8V5 L27 V32 Y34 A35 I69 F70 N71 L95 L97I3-V5 HydrophobicContact CG2-CG2 4.07Å; I3-L27 HydrophobicContact CG2-CD1 4.39Å; I3-V32 HydrophobicContact CB-CG1 4.49Å; I3-V32 HydrophobicContact CG1-CG1 3.84Å; I3-Y34 CarbonylContact O-C 3.57Å; I3-Y34 WeakPolarHBondContact O-CA 3.48Å; I3-Y34 WeakPolarHBondContact O-CB 3.39Å; I3-A35 PolarHBondContact O-N 3.31Å; I3-I69 HydrophobicContact CG2-CG2 3.99Å; I3-F70 CarbonylContact C-O 3.57Å; I3-F70 WeakPolarHBondContact CA-O 3.28Å; I3-N71 HydrophobicContact CD1-CB 3.92Å; I3-L95 HydrophobicContact CD1-CB 3.97Å; I3-L95 HydrophobicContact CD1-CD2 4.22Å; I3-L95 HydrophobicContact CG1-CD2 4.48Å; I3-L95 HydrophobicContact CG2-CD2 4.13Å; I3-L97 HydrophobicContact CD1-CD1 4.21Å; I3-L97 HydrophobicContact CD1-CD2 4.3Å; I3-L97 HydrophobicContact CD1-CG 4.25Å; I3-L97 HydrophobicContact CG1-CD1 4.17Å
4K98.2Very high93.1Very high52 Ų5244 Ų4423%0.22627%0.273CS..EExtended strand (participates in β ladder)trans-111.2125175.5-71.9-175.2-170.3162.90107.4F6 L37 F70 E72K4-F6 HydrophobicContact CB-CE2 4.24Å; K4-L37 HydrophobicContact CB-CD1 3.54Å; K4-L37 HydrophobicContact CD-CD1 4.19Å; K4-L37 HydrophobicContact CG-CD1 3.82Å; K4-F70 HydrophobicContact CB-CB 4.21Å; K4-F70 PolarHBondContact N-O 3.02Å; K4-F70 PolarHBondContact O-N 3.33Å; K4-E72 WeakPolarHBondContact CD-O 3.26Å; K4-E72 WeakPolarHBondContact CE-O 3.46Å; K4-E72 PolarHBondContact NZ-O 2.65Å
5V98.4Very high92.9Very high0 Ų041.7 Ų41.70%026%0.261CS..EExtended strand (participates in β ladder)trans-117113.7177.2-169.50000107.6I3 L7 V23 L27 Y34 A35 L37 I69I3-V5 HydrophobicContact CG2-CG2 4.07Å; V5-L7 HydrophobicContact CG1-CD2 3.62Å; V5-L7 HydrophobicContact CG1-CG 4Å; V5-V23 HydrophobicContact CG1-CG1 4.04Å; V5-L27 HydrophobicContact CG2-CD1 3.63Å; V5-Y34 HydrophobicContact CB-CD2 4.43Å; V5-Y34 HydrophobicContact CG2-CD2 3.91Å; V5-Y34 HydrophobicContact CG2-CG 4.29Å; V5-A35 PolarHBondContact N-O 3.47Å; V5-L37 PolarHBondContact O-N 3.48Å; V5-I69 HydrophobicContact CG1-CG1 4.41Å
6F98.3Very high93Very high1 Ų139.1 Ų39.10%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-84.4126174.6-70-95.4000109.3K4 L37 I39 N45 W48 M49 P67 Q68 F70K4-F6 HydrophobicContact CB-CE2 4.24Å; F6-L37 VanDerWaalsContact CA-O 3.28Å; F6-L37 WeakPolarHBondContact CA-O 3.31Å; F6-L37 HydrophobicContact CD1-CB 3.72Å; F6-L37 HydrophobicContact CE1-CB 3.76Å; F6-L37 HydrophobicContact CE1-CD2 3.93Å; F6-L37 HydrophobicContact CE1-CG 4.31Å; F6-L37 HydrophobicContact CE2-CD1 4.28Å; F6-L37 HydrophobicContact CG-CB 4.23Å; F6-L37 HydrophobicContact CZ-CB 4.26Å; F6-L37 HydrophobicContact CZ-CD1 4.27Å; F6-L37 HydrophobicContact CZ-CD2 3.87Å; F6-L37 HydrophobicContact CZ-CG 4.37Å; F6-I39 HydrophobicContact CB-CG2 4.02Å; F6-I39 HydrophobicContact CD1-CG2 3.7Å; F6-I39 HydrophobicContact CG-CG2 4.36Å; F6-N45 HydrophobicContact CD1-CB 4.19Å; F6-N45 HydrophobicContact CE1-CB 3.98Å; F6-N45 WeakPolarHBondContact CE1-O 3.15Å; F6-W48 AromaticContact CE1-CE3 3.91Å; F6-W48 HydrophobicContact CE1-CE3 3.91Å; F6-W48 AromaticContact CE2-CE3 3.59Å; F6-W48 HydrophobicContact CE2-CE3 3.59Å; F6-W48 HydrophobicContact CE2-CH2 4.46Å; F6-W48 AromaticContact CE2-CZ3 3.4Å; F6-W48 HydrophobicContact CE2-CZ3 3.4Å; F6-W48 VanDerWaalsContact CE2-CZ3 3.4Å; F6-W48 AromaticContact CZ-CD2 3.99Å; F6-W48 HydrophobicContact CZ-CD2 3.99Å; F6-W48 AromaticContact CZ-CE3 3.1Å; F6-W48 HydrophobicContact CZ-CE3 3.1Å; F6-W48 AromaticContact CZ-CZ3 3.44Å; F6-W48 HydrophobicContact CZ-CZ3 3.44Å; F6-W48 VanDerWaalsContact CZ-CZ3 3.44Å; F6-M49 HydrophobicContact CB-CB 4.42Å; F6-M49 HydrophobicContact CB-CG 3.98Å; F6-M49 HydrophobicContact CB-SD 3.55Å; F6-M49 VanDerWaalsContact CB-SD 3.55Å; F6-M49 HydrophobicContact CD1-CB 3.73Å; F6-M49 HydrophobicContact CD1-CG 4.2Å; F6-M49 HydrophobicContact CD1-SD 4.48Å; F6-M49 HydrophobicContact CD2-CG 4.38Å; F6-M49 HydrophobicContact CE1-CB 4.09Å; F6-M49 HydrophobicContact CG-CB 3.97Å; F6-M49 HydrophobicContact CG-CG 3.92Å; F6-M49 HydrophobicContact CG-SD 4.13Å; F6-P67 WeakPolarHBondContact O-CA 3.37Å; F6-Q68 HydrophobicContact CB-CB 4.2Å; F6-Q68 PolarHBondContact N-O 2.86Å; F6-Q68 PolarHBondContact O-N 3.33Å; F6-Q68 VanDerWaalsContact O-N 3.15Å; F6-F70 AromaticContact CD2-CD2 3.65Å; F6-F70 HydrophobicContact CD2-CD2 3.65Å; F6-F70 AromaticContact CD2-CE2 3.84Å; F6-F70 HydrophobicContact CD2-CE2 3.84Å; F6-F70 AromaticContact CE2-CD2 3.65Å; F6-F70 HydrophobicContact CE2-CD2 3.65Å; F6-F70 AromaticContact CE2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CG 4.37Å
7L97.4Very high93.1Very high11 Ų1141.3 Ų41.36%0.05825%0.249CC..EExtended strand (participates in β ladder)trans-131.5152.1-172.9-58.4174.3000109.2V5 Q20 V24 E36 L37 D38 I39 P67V5-L7 HydrophobicContact CG1-CD2 3.62Å; V5-L7 HydrophobicContact CG1-CG 4Å; L7-Q20 VanDerWaalsContact C-OE1 3.27Å; L7-Q20 HydrophobicContact CD2-CB 3.85Å; L7-Q20 HydrophobicContact CD2-CG 3.73Å; L7-V24 HydrophobicContact CD1-CG2 3.82Å; L7-V24 HydrophobicContact CD2-CG2 4.18Å; L7-E36 HydrophobicContact CD1-CB 4.27Å; L7-E36 HydrophobicContact CD1-CG 4.01Å; L7-L37 PolarHBondContact N-O 2.84Å; L7-D38 CarbonylContact O-C 3.37Å; L7-D38 WeakPolarHBondContact O-CA 3.44Å; L7-D38 VanDerWaalsContact O-OD1 3.07Å; L7-I39 WeakPolarHBondContact O-CG1 3.26Å; L7-I39 PolarHBondContact O-N 3.27Å; L7-P67 HydrophobicContact CD2-CB 4.1Å
8A95.7Very high93.2Very high7 Ų746.4 Ų46.46%0.05827%0.268CS..  trans-107.9101.3162.800000108.9S10 S11 Q20 I39 A40 P66A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.18Å; A8-S11 WeakPolarHBondContact O-CB 3.48Å; A8-S11 PolarHBondContact O-N 3.09Å; A8-Q20 PolarHBondContact O-NE2 3.07Å; A8-I39 HydrophobicContact CB-CD1 4.39Å; A8-I39 HydrophobicContact CB-CG1 3.94Å; A8-A40 HydrophobicContact CB-CB 4.07Å; A8-P66 HydrophobicContact CB-CG 3.63Å
9T93.1Very high93.4Very high95 Ų9544.9 Ų44.958%0.58326%0.258SS*.THydrogen-bonded Turntrans-68.4-28.7-176.665.90000112.8D38T9-D38 WeakPolarHBondContact CB-OD2 3.48Å; T9-D38 HydrophobicContact CG2-CB 4.06Å; T9-D38 VanDerWaalsContact CG2-CG 3.44Å; T9-D38 VanDerWaalsContact CG2-OD2 3.26Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.24Å; T9-D38 PolarHBondContact N-OD1 2.78Å; T9-D38 PolarHBondContact OG1-OD2 2.75Å
10S90.2Very high93.7Very high89 Ų8943.4 Ų43.462%0.62225%0.248SC*.THydrogen-bonded Turntrans-105.423.4177.259.90000114A8 A40A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 3.18Å; S10-A40 WeakPolarHBondContact OG-CB 3.5Å
11S89.4Confident93.9Very high7 Ų747.9 Ų47.95%0.04927%0.267CS..  trans-49.1144173.1172.10000111.6A8 S13 I16 K17 E200A8-S11 WeakPolarHBondContact O-CB 3.48Å; A8-S11 PolarHBondContact O-N 3.09Å; S11-S13 PolarHBondContact OG-N 3.48Å; S11-I16 WeakPolarHBondContact OG-CG2 3.13Å; S11-K17 WeakPolarHBondContact O-CE 3.49Å; S11-K17 PolarHBondContact O-NZ 3.16Å; S11-E200 WeakPolarHBondContact CB-OE1 3.41Å; S11-E200 PolarHBondContact OG-OE1 3.11Å; S11-E200 PolarHBondContact OG-OE2 3Å
12G88.6Confident94.6Very high56 Ų5643.2 Ų43.258%0.57725%0.245SC*.SBendtrans-77.6-40.7174.500000111.2K17 E200G12-K17 PolarHBondContact O-NZ 3.2Å; G12-E200 WeakPolarHBondContact CA-OE2 3.45Å; G12-E200 PolarHBondContact N-OE2 3.1Å
13S90.1Very high94.9Very high5 Ų539.8 Ų39.84%0.03522%0.224CC..  trans-67.8134-174.9163.90000113.8S11 A15 I16 K17 E200S11-S13 PolarHBondContact OG-N 3.48Å; S13-A15 PolarHBondContact OG-N 3.48Å; S13-A15 VanDerWaalsContact OG-N 3.16Å; S13-I16 PolarHBondContact OG-N 2.99Å; S13-I16 VanDerWaalsContact OG-N 3.15Å; S13-K17 WeakPolarHBondContact O-CG 3.08Å; S13-K17 PolarHBondContact O-N 3.4Å; S13-E200 PolarHBondContact N-OE2 3.41Å
14T91.4Very high95Very high73 Ų7340.8 Ų40.845%0.44823%0.23SC..Hα-helixtrans-76.5-30.6174.6-59.80000111.1K18T14-K18 HydrophobicContact CG2-CD 4.38Å; T14-K18 WeakPolarHBondContact O-CG 3.46Å; T14-K18 PolarHBondContact O-N 3.33Å; T14-K18 VanDerWaalsContact O-N 3.11Å
15A90.8Very high94.9Very high10 Ų1039.9 Ų39.98%0.08324%0.236CC..Hα-helixtrans-62.7-52.6176.400000110.8S13 K17 K18 K19 E207S13-A15 PolarHBondContact OG-N 3.48Å; S13-A15 VanDerWaalsContact OG-N 3.16Å; A15-K17 VanDerWaalsContact C-N 3.34Å; A15-K17 PolarHBondContact O-N 3.46Å; A15-K18 WeakPolarHBondContact O-CB 3.28Å; A15-K18 PolarHBondContact O-N 3.36Å; A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 2.73Å; A15-E207 VanDerWaalsContact CB-OE2 3.23Å; A15-E207 WeakPolarHBondContact CB-OE2 3.27Å
16I93.7Very high94.9Very high0 Ų042.1 Ų42.10%025%0.246CC..Hα-helixtrans-57.6-47178-72.3175.3000110.9S11 S13 K18 K19 Q20 L65 P66 E200S11-I16 WeakPolarHBondContact OG-CG2 3.13Å; S13-I16 PolarHBondContact OG-N 2.99Å; S13-I16 VanDerWaalsContact OG-N 3.15Å; I16-K18 VanDerWaalsContact C-N 3.28Å; I16-K18 PolarHBondContact O-N 3.12Å; I16-K19 PolarHBondContact O-N 3.11Å; I16-Q20 HydrophobicContact CG2-CG 4.23Å; I16-Q20 WeakPolarHBondContact O-CB 3.46Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.02Å; I16-Q20 PolarHBondContact O-NE2 2.97Å; I16-L65 HydrophobicContact CD1-CB 4.38Å; I16-L65 HydrophobicContact CD1-CD1 4.26Å; I16-P66 HydrophobicContact CG2-CG 4.02Å; I16-E200 HydrophobicContact CD1-CB 3.9Å; I16-E200 HydrophobicContact CD1-CG 3.41Å; I16-E200 VanDerWaalsContact CD1-CG 3.41Å
17K94.8Very high94.8Very high76 Ų7642 Ų4233%0.3325%0.246SC..Hα-helixtrans-54.6-41.9174.8-75.6171.1-177.3145.80113.2S11 G12 S13 A15 Q21S11-K17 WeakPolarHBondContact O-CE 3.49Å; S11-K17 PolarHBondContact O-NZ 3.16Å; G12-K17 PolarHBondContact O-NZ 3.2Å; S13-K17 WeakPolarHBondContact O-CG 3.08Å; S13-K17 PolarHBondContact O-N 3.4Å; A15-K17 VanDerWaalsContact C-N 3.34Å; A15-K17 PolarHBondContact O-N 3.46Å; K17-Q21 WeakPolarHBondContact O-CB 3.39Å; K17-Q21 WeakPolarHBondContact O-CG 3.22Å; K17-Q21 PolarHBondContact O-N 3.27Å
18K96.1Very high94.8Very high134 Ų13447 Ų4758%0.58327%0.268SS*.Hα-helixtrans-68.8-45.3178.4-73.7169.8178.5167.20111.8T14 A15 I16 Q20 Q21 D22T14-K18 HydrophobicContact CG2-CD 4.38Å; T14-K18 WeakPolarHBondContact O-CG 3.46Å; T14-K18 PolarHBondContact O-N 3.33Å; T14-K18 VanDerWaalsContact O-N 3.11Å; A15-K18 WeakPolarHBondContact O-CB 3.28Å; A15-K18 PolarHBondContact O-N 3.36Å; I16-K18 VanDerWaalsContact C-N 3.28Å; I16-K18 PolarHBondContact O-N 3.12Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 2.81Å; K18-Q21 PolarHBondContact O-N 2.69Å; K18-D22 PolarHBondContact O-N 3.31Å
19K97.4Very high94.8Very high18 Ų1850.4 Ų50.48%0.07830%0.297CS..Hα-helixtrans-56.9-47.2176.9-70.4-175.9176.6179.80110.9A15 I16 D22 V23 P67 Y79 E203 E207A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 2.73Å; I16-K19 PolarHBondContact O-N 3.11Å; K19-D22 PolarHBondContact O-N 2.91Å; K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 3.34Å; K19-V23 VanDerWaalsContact O-N 3.09Å; K19-P67 HydrophobicContact CB-CG 4.3Å; K19-Y79 HydrophobicContact CB-CD1 4.11Å; K19-Y79 HydrophobicContact CB-CD2 3.5Å; K19-Y79 VanDerWaalsContact CB-CD2 3.5Å; K19-Y79 HydrophobicContact CB-CE1 4.37Å; K19-Y79 HydrophobicContact CB-CE2 3.8Å; K19-Y79 HydrophobicContact CB-CG 3.65Å; K19-Y79 HydrophobicContact CD-CD1 3.47Å; K19-Y79 VanDerWaalsContact CD-CD1 3.47Å; K19-Y79 HydrophobicContact CD-CD2 4.43Å; K19-Y79 HydrophobicContact CD-CE1 3.98Å; K19-Y79 HydrophobicContact CD-CG 3.72Å; K19-Y79 HydrophobicContact CG-CD1 3.57Å; K19-Y79 HydrophobicContact CG-CD2 3.88Å; K19-Y79 HydrophobicContact CG-CE1 3.66Å; K19-Y79 HydrophobicContact CG-CE2 3.97Å; K19-Y79 HydrophobicContact CG-CG 3.67Å; K19-E203 IonicContact NZ-OE1 2.71Å; K19-E203 PolarHBondContact NZ-OE1 3Å; K19-E207 WeakPolarHBondContact CE-OE1 3.33Å; K19-E207 IonicContact NZ-OE1 2.79Å; K19-E207 PolarHBondContact NZ-OE1 2.97Å
20Q98.3Very high94.8Very high13 Ų1348.4 Ų48.46%0.06128%0.282CS..Hα-helixtrans-60.1-48.5175-69.5-178.311900112.9L7 A8 I16 K18 D22 V23 V24 P67L7-Q20 VanDerWaalsContact C-OE1 3.27Å; L7-Q20 HydrophobicContact CD2-CB 3.85Å; L7-Q20 HydrophobicContact CD2-CG 3.73Å; A8-Q20 PolarHBondContact O-NE2 3.07Å; I16-Q20 HydrophobicContact CG2-CG 4.23Å; I16-Q20 WeakPolarHBondContact O-CB 3.46Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.02Å; I16-Q20 PolarHBondContact O-NE2 2.97Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-Q20 PolarHBondContact O-N 2.81Å; Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.38Å; Q20-V23 PolarHBondContact O-N 2.79Å; Q20-V24 WeakPolarHBondContact O-CB 3.33Å; Q20-V24 VanDerWaalsContact O-CG2 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.44Å; Q20-V24 PolarHBondContact O-N 3.47Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.2Å
21Q97.9Very high95Very high138 Ų13853.1 Ų53.165%0.64529%0.291SS*.Hα-helixtrans-61.5-37.2178-77.9174.41.900112.4K17 K18 G25K17-Q21 WeakPolarHBondContact O-CB 3.39Å; K17-Q21 WeakPolarHBondContact O-CG 3.22Å; K17-Q21 PolarHBondContact O-N 3.27Å; K18-Q21 PolarHBondContact O-N 2.69Å; Q21-G25 WeakPolarHBondContact O-CA 3.22Å; Q21-G25 PolarHBondContact O-N 2.91Å
22D98.1Very high95.2Very high49 Ų4953.7 Ų53.726%0.26229%0.294SS..Hα-helixtrans-67.8-43.8177.6-171.643000111.6K18 K19 Q20 F26 Y79 K86K18-D22 PolarHBondContact O-N 3.31Å; K19-D22 PolarHBondContact O-N 2.91Å; Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.38Å; D22-F26 WeakPolarHBondContact O-CB 3.43Å; D22-F26 PolarHBondContact O-N 3.05Å; D22-Y79 HydrophobicContact CB-CE2 4.19Å; D22-K86 IonicContact OD1-NZ 3.36Å; D22-K86 PolarHBondContact OD1-NZ 3.13Å; D22-K86 IonicContact OD2-NZ 3.69Å; D22-K86 PolarHBondContact OD2-NZ 3.12Å
23V98.3Very high95.6Very high0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-58.8-55.7174.4171.50000110.7V5 K19 Q20 F26 L27 P67 I69 Y79 F82V5-V23 HydrophobicContact CG1-CG1 4.04Å; K19-V23 WeakPolarHBondContact O-CG2 3.41Å; K19-V23 PolarHBondContact O-N 3.34Å; K19-V23 VanDerWaalsContact O-N 3.09Å; Q20-V23 PolarHBondContact O-N 2.79Å; V23-F26 PolarHBondContact O-N 3.4Å; V23-L27 HydrophobicContact CG1-CD1 4.09Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.93Å; V23-P67 HydrophobicContact CG2-CB 4.24Å; V23-P67 HydrophobicContact CG2-CG 3.79Å; V23-I69 HydrophobicContact CG1-CD1 3.68Å; V23-I69 HydrophobicContact CG1-CG1 4.13Å; V23-I69 HydrophobicContact CG2-CD1 4.23Å; V23-Y79 HydrophobicContact CG2-CD2 3.85Å; V23-Y79 HydrophobicContact CG2-CE2 4.36Å; V23-F82 HydrophobicContact CB-CE1 4.37Å; V23-F82 HydrophobicContact CG2-CD1 3.57Å; V23-F82 HydrophobicContact CG2-CE1 3.74Å; V23-F82 HydrophobicContact CG2-CG 4.06Å; V23-F82 HydrophobicContact CG2-CZ 4.36Å
24V98Very high95.9Very high22 Ų2261.5 Ų61.513%0.13331%0.314CS..Hα-helixtrans-59.5-51.7-178169.40000110.5L7 Q20 F26 L27 E28 Y34L7-V24 HydrophobicContact CD1-CG2 3.82Å; L7-V24 HydrophobicContact CD2-CG2 4.18Å; Q20-V24 WeakPolarHBondContact O-CB 3.33Å; Q20-V24 VanDerWaalsContact O-CG2 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.44Å; Q20-V24 PolarHBondContact O-N 3.47Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 2.97Å; V24-L27 PolarHBondContact O-N 3.17Å; V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 3.28Å; V24-Y34 HydrophobicContact CG1-CE2 4.4Å; V24-Y34 VanDerWaalsContact CG1-OH 3.26Å; V24-Y34 WeakPolarHBondContact CG1-OH 3.25Å; V24-Y34 HydrophobicContact CG2-CE2 4.49Å
25G97.9Very high96.2Very high34 Ų3459.9 Ų59.935%0.35131%0.307SS..Hα-helixtrans-62.6-33.5-179.200000113Q21 A29Q21-G25 WeakPolarHBondContact O-CA 3.22Å; Q21-G25 PolarHBondContact O-N 2.91Å; G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 3.36Å
26F97.7Very high96.5Very high46 Ų4664.7 Ų64.720%0.20233%0.328CS..Hα-helixtrans-70.6-44.8174.9-173-92.7000112.4D22 V23 V24 E28 A29 L30 F82 K86 V91D22-F26 WeakPolarHBondContact O-CB 3.43Å; D22-F26 PolarHBondContact O-N 3.05Å; V23-F26 PolarHBondContact O-N 3.4Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 2.97Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.38Å; F26-A29 PolarHBondContact O-N 3.23Å; F26-L30 HydrophobicContact CD1-CD1 3.89Å; F26-L30 HydrophobicContact CD1-CG 4.18Å; F26-L30 HydrophobicContact CE1-CD1 3.18Å; F26-L30 HydrophobicContact CE1-CG 3.78Å; F26-L30 HydrophobicContact CZ-CD1 3.72Å; F26-L30 HydrophobicContact CZ-CD2 4.44Å; F26-L30 HydrophobicContact CZ-CG 4.09Å; F26-L30 PolarHBondContact O-N 3.47Å; F26-F82 HydrophobicContact CB-CZ 3.8Å; F26-F82 AromaticContact CD1-CE2 3.83Å; F26-F82 HydrophobicContact CD1-CE2 3.83Å; F26-F82 AromaticContact CD1-CZ 3.6Å; F26-F82 HydrophobicContact CD1-CZ 3.6Å; F26-F82 HydrophobicContact CE1-CE2 4.35Å; F26-F82 HydrophobicContact CE1-CZ 4.36Å; F26-F82 HydrophobicContact CG-CE2 4.47Å; F26-F82 AromaticContact CG-CZ 3.79Å; F26-F82 HydrophobicContact CG-CZ 3.79Å; F26-K86 HydrophobicContact CD2-CD 3.99Å; F26-K86 HydrophobicContact CD2-CG 4.22Å; F26-K86 HydrophobicContact CE2-CD 4.1Å; F26-K86 HydrophobicContact CE2-CG 3.81Å; F26-K86 HydrophobicContact CG-CD 4.49Å; F26-K86 HydrophobicContact CZ-CG 4.1Å; F26-V91 HydrophobicContact CD1-CG1 4.42Å; F26-V91 HydrophobicContact CE1-CB 3.98Å; F26-V91 HydrophobicContact CE1-CG1 3.79Å; F26-V91 HydrophobicContact CE1-CG2 3.7Å; F26-V91 HydrophobicContact CZ-CG2 3.95Å
27L96.8Very high96.7Very high0 Ų066 Ų660%034%0.335CS..Hα-helixtrans-60.4-41.6176.6-67.8176.9000111.4I3 V5 V23 V24 L30 K31 V32 Y34 L95I3-L27 HydrophobicContact CG2-CD1 4.39Å; V5-L27 HydrophobicContact CG2-CD1 3.63Å; V23-L27 HydrophobicContact CG1-CD1 4.09Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 2.93Å; V24-L27 PolarHBondContact O-N 3.17Å; L27-L30 CarbonylContact O-C 3.56Å; L27-L30 PolarHBondContact O-N 3.17Å; L27-K31 PolarHBondContact O-N 3.04Å; L27-V32 HydrophobicContact CB-CB 4.5Å; L27-V32 HydrophobicContact CD2-CB 4.17Å; L27-V32 HydrophobicContact CD2-CG1 4.23Å; L27-V32 HydrophobicContact CD2-CG2 4.5Å; L27-V32 PolarHBondContact O-N 3.18Å; L27-Y34 HydrophobicContact CB-CD1 3.87Å; L27-Y34 HydrophobicContact CB-CE1 3.99Å; L27-Y34 HydrophobicContact CD1-CD1 4.12Å; L27-Y34 HydrophobicContact CD1-CG 4.06Å; L27-L95 HydrophobicContact CD2-CD1 3.65Å; L27-L95 HydrophobicContact CD2-CD2 4.39Å
28E97.1Very high96.8Very high115 Ų11563.7 Ų63.754%0.53733%0.327SS..Hα-helixtrans-61.9-45174.1-71.7-176.7162.400112.5V24 F26 L30 K31 Y34V24-E28 WeakPolarHBondContact O-CG 3.28Å; V24-E28 PolarHBondContact O-N 3.28Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.38Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.83Å; E28-K31 PolarHBondContact O-N 2.97Å; E28-Y34 HydrophobicContact CG-CE1 3.97Å; E28-Y34 WeakPolarHBondContact CG-OH 3.44Å; E28-Y34 PolarHBondContact OE1-OH 2.78Å
29A96.1Very high96.8Very high79 Ų7957.5 Ų57.565%0.65330%0.3SS*.Hα-helixtrans-62.1-35.9177.900000112.1G25 F26 K31G25-A29 WeakPolarHBondContact O-CB 3.45Å; G25-A29 PolarHBondContact O-N 3.36Å; F26-A29 PolarHBondContact O-N 3.23Å; A29-K31 VanDerWaalsContact C-N 3.27Å
30L92.8Very high96.5Very high53 Ų5357.7 Ų57.728%0.27730%0.304SS..Hα-helixtrans-78.7-7.9173.4-68.8-167.6000113.9F26 L27 E28 V32 Y92F26-L30 HydrophobicContact CD1-CD1 3.89Å; F26-L30 HydrophobicContact CD1-CG 4.18Å; F26-L30 HydrophobicContact CE1-CD1 3.18Å; F26-L30 HydrophobicContact CE1-CG 3.78Å; F26-L30 HydrophobicContact CZ-CD1 3.72Å; F26-L30 HydrophobicContact CZ-CD2 4.44Å; F26-L30 HydrophobicContact CZ-CG 4.09Å; F26-L30 PolarHBondContact O-N 3.47Å; L27-L30 CarbonylContact O-C 3.56Å; L27-L30 PolarHBondContact O-N 3.17Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.83Å; L30-V32 HydrophobicContact CB-CG2 3.92Å; L30-V32 PolarHBondContact O-N 3.02Å; L30-Y92 HydrophobicContact CD1-CE2 4.26Å
31K94Very high96Very high188 Ų18862 Ų6282%0.81734%0.335SS*.THydrogen-bonded Turntrans5636.3-173.6-54-178.7178.6179.50112.7L27 E28 A29L27-K31 PolarHBondContact O-N 3.04Å; E28-K31 PolarHBondContact O-N 2.97Å; A29-K31 VanDerWaalsContact C-N 3.27Å
32V94.6Very high95.8Very high18 Ų1858 Ų5811%0.10932%0.318CS..  trans-77.8128.8169.31760000107.3I3 L27 L30 Y34 Y92 L95 L97I3-V32 HydrophobicContact CB-CG1 4.49Å; I3-V32 HydrophobicContact CG1-CG1 3.84Å; L27-V32 HydrophobicContact CB-CB 4.5Å; L27-V32 HydrophobicContact CD2-CB 4.17Å; L27-V32 HydrophobicContact CD2-CG1 4.23Å; L27-V32 HydrophobicContact CD2-CG2 4.5Å; L27-V32 PolarHBondContact O-N 3.18Å; L30-V32 HydrophobicContact CB-CG2 3.92Å; L30-V32 PolarHBondContact O-N 3.02Å; V32-Y34 WeakPolarHBondContact O-CD1 3.43Å; V32-Y92 HydrophobicContact CG2-CE1 4.35Å; V32-L95 HydrophobicContact CG1-CD1 4.32Å; V32-L95 HydrophobicContact CG2-CD1 4.44Å; V32-L97 HydrophobicContact CG1-CD1 3.89Å; V32-L97 HydrophobicContact CG2-CD1 4.43Å
33E95.4Very high95.5Very high178 Ų17859.3 Ų59.383%0.83232%0.322SS*.  trans-75.9127.9171.9-69.5179.9-171.300109.6
34Y97.4Very high95.4Very high48 Ų4865.4 Ų65.419%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-138.6158177.865.1-80.8000111.2I3 V5 V24 L27 E28 V32 E36I3-Y34 CarbonylContact O-C 3.57Å; I3-Y34 WeakPolarHBondContact O-CA 3.48Å; I3-Y34 WeakPolarHBondContact O-CB 3.39Å; V5-Y34 HydrophobicContact CB-CD2 4.43Å; V5-Y34 HydrophobicContact CG2-CD2 3.91Å; V5-Y34 HydrophobicContact CG2-CG 4.29Å; V24-Y34 HydrophobicContact CG1-CE2 4.4Å; V24-Y34 VanDerWaalsContact CG1-OH 3.26Å; V24-Y34 WeakPolarHBondContact CG1-OH 3.25Å; V24-Y34 HydrophobicContact CG2-CE2 4.49Å; L27-Y34 HydrophobicContact CB-CD1 3.87Å; L27-Y34 HydrophobicContact CB-CE1 3.99Å; L27-Y34 HydrophobicContact CD1-CD1 4.12Å; L27-Y34 HydrophobicContact CD1-CG 4.06Å; E28-Y34 HydrophobicContact CG-CE1 3.97Å; E28-Y34 WeakPolarHBondContact CG-OH 3.44Å; E28-Y34 PolarHBondContact OE1-OH 2.78Å; V32-Y34 WeakPolarHBondContact O-CD1 3.43Å; Y34-E36 HydrophobicContact CD2-CG 3.93Å; Y34-E36 HydrophobicContact CE2-CG 3.44Å; Y34-E36 VanDerWaalsContact CE2-CG 3.44Å; Y34-E36 WeakPolarHBondContact CE2-OE1 3.5Å; Y34-E36 PolarHBondContact OH-OE1 2.88Å
35A97.9Very high95.3Very high38 Ų3866 Ų6631%0.31435%0.353SS..EExtended strand (participates in β ladder)trans-103128.9169.100000108.8V2 I3 V5 L37V2-A35 HydrophobicContact CG1-CB 4.41Å; I3-A35 PolarHBondContact O-N 3.31Å; V5-A35 PolarHBondContact N-O 3.47Å; A35-L37 HydrophobicContact CB-CD1 4.26Å; A35-L37 WeakPolarHBondContact O-CD1 3.33Å
36E97.1Very high95.2Very high111 Ų11164.8 Ų64.852%0.51934%0.338SS..EExtended strand (participates in β ladder)trans-84.4125.3169.7-65.8-178.5178.100109.2L7 Y34L7-E36 HydrophobicContact CD1-CB 4.27Å; L7-E36 HydrophobicContact CD1-CG 4.01Å; Y34-E36 HydrophobicContact CD2-CG 3.93Å; Y34-E36 HydrophobicContact CE2-CG 3.44Å; Y34-E36 VanDerWaalsContact CE2-CG 3.44Å; Y34-E36 WeakPolarHBondContact CE2-OE1 3.5Å; Y34-E36 PolarHBondContact OH-OE1 2.88Å
37L97.8Very high95Very high29 Ų2964.9 Ų64.915%0.15234%0.34CS..EExtended strand (participates in β ladder)trans-118.698.1175.6-61.8101.5000108.1K4 V5 F6 L7 A35 I39 N45K4-L37 HydrophobicContact CB-CD1 3.54Å; K4-L37 HydrophobicContact CD-CD1 4.19Å; K4-L37 HydrophobicContact CG-CD1 3.82Å; V5-L37 PolarHBondContact O-N 3.48Å; F6-L37 VanDerWaalsContact CA-O 3.28Å; F6-L37 WeakPolarHBondContact CA-O 3.31Å; F6-L37 HydrophobicContact CD1-CB 3.72Å; F6-L37 HydrophobicContact CE1-CB 3.76Å; F6-L37 HydrophobicContact CE1-CD2 3.93Å; F6-L37 HydrophobicContact CE1-CG 4.31Å; F6-L37 HydrophobicContact CE2-CD1 4.28Å; F6-L37 HydrophobicContact CG-CB 4.23Å; F6-L37 HydrophobicContact CZ-CB 4.26Å; F6-L37 HydrophobicContact CZ-CD1 4.27Å; F6-L37 HydrophobicContact CZ-CD2 3.87Å; F6-L37 HydrophobicContact CZ-CG 4.37Å; L7-L37 PolarHBondContact N-O 2.84Å; A35-L37 HydrophobicContact CB-CD1 4.26Å; A35-L37 WeakPolarHBondContact O-CD1 3.33Å; L37-I39 PolarHBondContact O-N 3.41Å; L37-N45 HydrophobicContact CB-CB 4.35Å
38D96.9Very high95Very high27 Ų2768 Ų6814%0.14435%0.352CS..EExtended strand (participates in β ladder)trans-67.8133175.5-168.34.4000109.9L7 T9 A40 C41 N42 N45L7-D38 CarbonylContact O-C 3.37Å; L7-D38 WeakPolarHBondContact O-CA 3.44Å; L7-D38 VanDerWaalsContact O-OD1 3.07Å; T9-D38 WeakPolarHBondContact CB-OD2 3.48Å; T9-D38 HydrophobicContact CG2-CB 4.06Å; T9-D38 VanDerWaalsContact CG2-CG 3.44Å; T9-D38 VanDerWaalsContact CG2-OD2 3.26Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.24Å; T9-D38 PolarHBondContact N-OD1 2.78Å; T9-D38 PolarHBondContact OG1-OD2 2.75Å; D38-A40 WeakPolarHBondContact OD1-CB 3.4Å; D38-A40 PolarHBondContact OD1-N 2.91Å; D38-C41 PolarHBondContact OD2-SG 3.36Å; D38-N42 VanDerWaalsContact O-CB 3.3Å; D38-N42 WeakPolarHBondContact O-CB 3.44Å; D38-N45 VanDerWaalsContact O-CB 3.27Å; D38-N45 WeakPolarHBondContact O-CB 3.42Å; D38-N45 PolarHBondContact O-ND2 3.19Å
39I95.3Very high95Very high3 Ų362.5 Ų62.52%0.01533%0.326CS..SBendtrans-103.2-1417771.9173.7000111.9F6 L7 A8 L37 N45 R46 M49 P66F6-I39 HydrophobicContact CB-CG2 4.02Å; F6-I39 HydrophobicContact CD1-CG2 3.7Å; F6-I39 HydrophobicContact CG-CG2 4.36Å; L7-I39 WeakPolarHBondContact O-CG1 3.26Å; L7-I39 PolarHBondContact O-N 3.27Å; A8-I39 HydrophobicContact CB-CD1 4.39Å; A8-I39 HydrophobicContact CB-CG1 3.94Å; L37-I39 PolarHBondContact O-N 3.41Å; I39-N45 HydrophobicContact CG2-CB 4.2Å; I39-R46 HydrophobicContact CB-CB 3.98Å; I39-R46 HydrophobicContact CB-CG 4.39Å; I39-M49 HydrophobicContact CD1-CE 3.52Å; I39-M49 HydrophobicContact CD1-SD 3.96Å; I39-M49 HydrophobicContact CG2-SD 4.09Å; I39-P66 HydrophobicContact CD1-CB 4.2Å; I39-P66 HydrophobicContact CD1-CG 3.86Å
40A91.4Very high94.9Very high22 Ų2260.4 Ų60.418%0.18230%0.301CS..SBendtrans-78.2-36.8-175.800000111.6A8 S10 D38A8-A40 HydrophobicContact CB-CB 4.07Å; S10-A40 WeakPolarHBondContact OG-CB 3.5Å; D38-A40 WeakPolarHBondContact OD1-CB 3.4Å; D38-A40 PolarHBondContact OD1-N 2.91Å
41C88.5Confident95Very high103 Ų10364.8 Ų64.870%0.69632%0.32SS*.SBendtrans-111.98.5177.669.30000114.1D38D38-C41 PolarHBondContact OD2-SG 3.36Å
42N92.9Very high95.1Very high54 Ų5458.7 Ų58.729%0.28930%0.297SS..  trans-137.5104.2179.6-172.5-59.5000110.8D38 Q44 N45 R46D38-N42 VanDerWaalsContact O-CB 3.3Å; D38-N42 WeakPolarHBondContact O-CB 3.44Å; N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 3.43Å; N42-Q44 PolarHBondContact OD1-N 3.34Å; N42-Q44 VanDerWaalsContact OD1-N 3.15Å; N42-Q44 PolarHBondContact OD1-OE1 3.47Å; N42-N45 HydrophobicContact CB-CB 4.23Å; N42-N45 PolarHBondContact O-N 3.24Å; N42-N45 PolarHBondContact OD1-N 3.29Å; N42-R46 PolarHBondContact O-N 2.91Å; N42-R46 VanDerWaalsContact O-N 3.12Å
43E92.2Very high95.2Very high77 Ų7758 Ų5836%0.3629%0.292SS..Hα-helixtrans-61.6-39.6-178.6-166.7-152.9161.300112.1N45 R46 M47E43-N45 VanDerWaalsContact C-N 3.3Å; E43-N45 PolarHBondContact O-N 3.25Å; E43-R46 WeakPolarHBondContact O-CB 3.35Å; E43-R46 PolarHBondContact O-N 2.92Å; E43-R46 VanDerWaalsContact O-N 3.13Å; E43-M47 HydrophobicContact CG-CE 4.39Å; E43-M47 HydrophobicContact CG-CG 4.23Å; E43-M47 WeakPolarHBondContact O-CB 3.27Å; E43-M47 WeakPolarHBondContact O-CG 3.4Å; E43-M47 PolarHBondContact O-N 3.24Å
44Q95.6Very high95.1Very high129 Ų12951.1 Ų51.160%0.60326%0.264SS*.Hα-helixtrans-62.5-39.9-179.6-64.285.18.600111.5N42 W48N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 3.43Å; N42-Q44 PolarHBondContact OD1-N 3.34Å; N42-Q44 VanDerWaalsContact OD1-N 3.15Å; N42-Q44 PolarHBondContact OD1-OE1 3.47Å; Q44-W48 WeakPolarHBondContact O-CB 3.33Å; Q44-W48 PolarHBondContact O-N 3.32Å
45N96.1Very high94.8Very high34 Ų3455.1 Ų55.118%0.18228%0.284CS..Hα-helixtrans-66.1-43174.9-68.7-19.6000111.4F6 L37 D38 I39 N42 E43 W48 M49F6-N45 HydrophobicContact CD1-CB 4.19Å; F6-N45 HydrophobicContact CE1-CB 3.98Å; F6-N45 WeakPolarHBondContact CE1-O 3.15Å; L37-N45 HydrophobicContact CB-CB 4.35Å; D38-N45 VanDerWaalsContact O-CB 3.27Å; D38-N45 WeakPolarHBondContact O-CB 3.42Å; D38-N45 PolarHBondContact O-ND2 3.19Å; I39-N45 HydrophobicContact CG2-CB 4.2Å; N42-N45 HydrophobicContact CB-CB 4.23Å; N42-N45 PolarHBondContact O-N 3.24Å; N42-N45 PolarHBondContact OD1-N 3.29Å; E43-N45 VanDerWaalsContact C-N 3.3Å; E43-N45 PolarHBondContact O-N 3.25Å; N45-W48 PolarHBondContact O-N 3.05Å; N45-M49 WeakPolarHBondContact O-CB 3.33Å; N45-M49 PolarHBondContact O-N 3.25Å
46R95Very high94.6Very high8 Ų861.1 Ų61.13%0.0331%0.306CS..Hα-helixtrans-58.3-53.2177-171.8168.677.8-160.46111.5I39 N42 E43 W48 M49 R50 E192 E193I39-R46 HydrophobicContact CB-CB 3.98Å; I39-R46 HydrophobicContact CB-CG 4.39Å; N42-R46 PolarHBondContact O-N 2.91Å; N42-R46 VanDerWaalsContact O-N 3.12Å; E43-R46 WeakPolarHBondContact O-CB 3.35Å; E43-R46 PolarHBondContact O-N 2.92Å; E43-R46 VanDerWaalsContact O-N 3.13Å; R46-W48 PolarHBondContact O-N 3.3Å; R46-M49 PolarHBondContact O-N 2.94Å; R46-R50 WeakPolarHBondContact O-CG 3.38Å; R46-R50 PolarHBondContact O-N 3.17Å; R46-R50 VanDerWaalsContact O-N 3.09Å; R46-E192 IonicContact CZ-OE2 3.98Å; R46-E192 IonicContact NE-OE2 2.67Å; R46-E192 PolarHBondContact NE-OE2 3.4Å; R46-E192 IonicContact NH2-OE2 3.28Å; R46-E192 PolarHBondContact NH2-OE2 2.64Å; R46-E193 IonicContact NH1-OE1 2.73Å
47M94.2Very high94.3Very high49 Ų4960 Ų6024%0.24130%0.299CS..Hα-helixtrans-61.4-44.8178.5-69.8-65.3-179.700111.3E43 M49 R50 Q51E43-M47 HydrophobicContact CG-CE 4.39Å; E43-M47 HydrophobicContact CG-CG 4.23Å; E43-M47 WeakPolarHBondContact O-CB 3.27Å; E43-M47 WeakPolarHBondContact O-CG 3.4Å; E43-M47 PolarHBondContact O-N 3.24Å; M47-M49 PolarHBondContact O-N 2.78Å; M47-R50 PolarHBondContact O-N 3.15Å; M47-Q51 WeakPolarHBondContact O-CB 3.4Å; M47-Q51 VanDerWaalsContact O-CG 3.22Å; M47-Q51 WeakPolarHBondContact O-CG 3.32Å; M47-Q51 PolarHBondContact O-N 3.42Å
48W96.6Very high93.9Very high64 Ų6461.1 Ų61.124%0.24230%0.303CS..Hα-helixtrans-61.4-46.9178.6-169.398.1000111.3F6 Q44 N45 R46 R50 Q51 N52 F70 E73F6-W48 AromaticContact CE1-CE3 3.91Å; F6-W48 HydrophobicContact CE1-CE3 3.91Å; F6-W48 AromaticContact CE2-CE3 3.59Å; F6-W48 HydrophobicContact CE2-CE3 3.59Å; F6-W48 HydrophobicContact CE2-CH2 4.46Å; F6-W48 AromaticContact CE2-CZ3 3.4Å; F6-W48 HydrophobicContact CE2-CZ3 3.4Å; F6-W48 VanDerWaalsContact CE2-CZ3 3.4Å; F6-W48 AromaticContact CZ-CD2 3.99Å; F6-W48 HydrophobicContact CZ-CD2 3.99Å; F6-W48 AromaticContact CZ-CE3 3.1Å; F6-W48 HydrophobicContact CZ-CE3 3.1Å; F6-W48 AromaticContact CZ-CZ3 3.44Å; F6-W48 HydrophobicContact CZ-CZ3 3.44Å; F6-W48 VanDerWaalsContact CZ-CZ3 3.44Å; Q44-W48 WeakPolarHBondContact O-CB 3.33Å; Q44-W48 PolarHBondContact O-N 3.32Å; N45-W48 PolarHBondContact O-N 3.05Å; R46-W48 PolarHBondContact O-N 3.3Å; W48-R50 PolarHBondContact O-N 3.14Å; W48-Q51 PolarHBondContact O-N 3.4Å; W48-N52 HydrophobicContact CD2-CB 4.33Å; W48-N52 VanDerWaalsContact CD2-ND2 3.29Å; W48-N52 VanDerWaalsContact CE2-ND2 3.28Å; W48-N52 HydrophobicContact CE3-CB 4.02Å; W48-N52 HydrophobicContact CH2-CB 3.9Å; W48-N52 HydrophobicContact CZ2-CB 4.2Å; W48-N52 HydrophobicContact CZ3-CB 3.8Å; W48-N52 PolarHBondContact NE1-ND2 3.46Å; W48-N52 WeakPolarHBondContact O-CB 3.32Å; W48-N52 PolarHBondContact O-N 3.48Å; W48-N52 PolarHBondContact O-ND2 2.83Å; W48-F70 AromaticContact CH2-CD1 3.77Å; W48-F70 HydrophobicContact CH2-CD1 3.77Å; W48-F70 HydrophobicContact CH2-CE1 4.03Å; W48-F70 HydrophobicContact CH2-CG 4.12Å; W48-F70 AromaticContact CZ3-CD1 3.79Å; W48-F70 HydrophobicContact CZ3-CD1 3.79Å; W48-F70 HydrophobicContact CZ3-CD2 4.02Å; W48-F70 AromaticContact CZ3-CE1 3.78Å; W48-F70 HydrophobicContact CZ3-CE1 3.78Å; W48-F70 HydrophobicContact CZ3-CE2 4.01Å; W48-F70 AromaticContact CZ3-CG 3.92Å; W48-F70 HydrophobicContact CZ3-CG 3.92Å; W48-F70 AromaticContact CZ3-CZ 3.88Å; W48-F70 HydrophobicContact CZ3-CZ 3.88Å; W48-E73 HydrophobicContact CZ2-CG 4.44Å
49M96.3Very high93.4Very high1 Ų162.4 Ų62.41%0.00531%0.312CS..Hα-helixtrans-56.3-53.5178.1-174.7-170.17300110.6F6 I39 N45 R46 M47 Q51 N52 V53 P64 Q68 F70F6-M49 HydrophobicContact CB-CB 4.42Å; F6-M49 HydrophobicContact CB-CG 3.98Å; F6-M49 HydrophobicContact CB-SD 3.55Å; F6-M49 VanDerWaalsContact CB-SD 3.55Å; F6-M49 HydrophobicContact CD1-CB 3.73Å; F6-M49 HydrophobicContact CD1-CG 4.2Å; F6-M49 HydrophobicContact CD1-SD 4.48Å; F6-M49 HydrophobicContact CD2-CG 4.38Å; F6-M49 HydrophobicContact CE1-CB 4.09Å; F6-M49 HydrophobicContact CG-CB 3.97Å; F6-M49 HydrophobicContact CG-CG 3.92Å; F6-M49 HydrophobicContact CG-SD 4.13Å; I39-M49 HydrophobicContact CD1-CE 3.52Å; I39-M49 HydrophobicContact CD1-SD 3.96Å; I39-M49 HydrophobicContact CG2-SD 4.09Å; N45-M49 WeakPolarHBondContact O-CB 3.33Å; N45-M49 PolarHBondContact O-N 3.25Å; R46-M49 PolarHBondContact O-N 2.94Å; M47-M49 PolarHBondContact O-N 2.78Å; M49-Q51 VanDerWaalsContact C-N 3.29Å; M49-Q51 PolarHBondContact O-N 2.92Å; M49-N52 PolarHBondContact O-N 3.41Å; M49-V53 HydrophobicContact CG-CG2 4.39Å; M49-V53 VanDerWaalsContact O-CG2 3.32Å; M49-V53 WeakPolarHBondContact O-CG2 3.43Å; M49-V53 PolarHBondContact O-N 2.84Å; M49-P64 HydrophobicContact CE-CG 4.29Å; M49-P64 WeakPolarHBondContact CE-O 3.14Å; M49-Q68 HydrophobicContact CG-CB 3.9Å; M49-Q68 HydrophobicContact CG-CG 3.97Å; M49-Q68 HydrophobicContact SD-CB 3.78Å; M49-Q68 HydrophobicContact SD-CG 3.55Å; M49-Q68 VanDerWaalsContact SD-CG 3.55Å; M49-F70 HydrophobicContact CG-CE2 4.49Å
50R94.3Very high92.7Very high34 Ų3469 Ų6913%0.12836%0.358CS..Hα-helixtrans-60-36.1-178.3-68.7178.3174.4-166.1-4.1113.3R46 M47 W48 P64 E192 L196R46-R50 WeakPolarHBondContact O-CG 3.38Å; R46-R50 PolarHBondContact O-N 3.17Å; R46-R50 VanDerWaalsContact O-N 3.09Å; M47-R50 PolarHBondContact O-N 3.15Å; W48-R50 PolarHBondContact O-N 3.14Å; R50-P64 HydrophobicContact CB-CG 4.46Å; R50-P64 HydrophobicContact CG-CG 4.12Å; R50-E192 IonicContact NH1-OE1 2.76Å; R50-E192 PolarHBondContact NH1-OE1 3Å; R50-E192 IonicContact NH1-OE2 3.05Å; R50-L196 VanDerWaalsContact NH2-CG 3.31Å
51Q94.8Very high92Very high145 Ų14571.1 Ų71.168%0.67837%0.367SS*.Hα-helixtrans-75.6-31.2179.3-71.2172.622.900113.3M47 W48 M49M47-Q51 WeakPolarHBondContact O-CB 3.4Å; M47-Q51 VanDerWaalsContact O-CG 3.22Å; M47-Q51 WeakPolarHBondContact O-CG 3.32Å; M47-Q51 PolarHBondContact O-N 3.42Å; W48-Q51 PolarHBondContact O-N 3.4Å; M49-Q51 VanDerWaalsContact C-N 3.29Å; M49-Q51 PolarHBondContact O-N 2.92Å
52N96.6Very high91.6Very high60 Ų6067.8 Ų67.832%0.32135%0.35SS..Hα-helixtrans-99-11.7-173.5-70-87.2000113.6W48 M49 P54 F70W48-N52 HydrophobicContact CD2-CB 4.33Å; W48-N52 VanDerWaalsContact CD2-ND2 3.29Å; W48-N52 VanDerWaalsContact CE2-ND2 3.28Å; W48-N52 HydrophobicContact CE3-CB 4.02Å; W48-N52 HydrophobicContact CH2-CB 3.9Å; W48-N52 HydrophobicContact CZ2-CB 4.2Å; W48-N52 HydrophobicContact CZ3-CB 3.8Å; W48-N52 PolarHBondContact NE1-ND2 3.46Å; W48-N52 WeakPolarHBondContact O-CB 3.32Å; W48-N52 PolarHBondContact O-N 3.48Å; W48-N52 PolarHBondContact O-ND2 2.83Å; M49-N52 PolarHBondContact O-N 3.41Å; N52-P54 WeakPolarHBondContact O-CD 3.47Å; N52-F70 HydrophobicContact CB-CE1 3.76Å; N52-F70 HydrophobicContact CB-CZ 4.12Å
53V96.2Very high91.4Very high3 Ų366 Ų662%0.01834%0.34CS..SBendtrans-67.4124.9166.4173.70000109.2M49 K57 K58 P64 Q68 F70 Y75M49-V53 HydrophobicContact CG-CG2 4.39Å; M49-V53 VanDerWaalsContact O-CG2 3.32Å; M49-V53 WeakPolarHBondContact O-CG2 3.43Å; M49-V53 PolarHBondContact O-N 2.84Å; V53-K57 HydrophobicContact CG1-CB 4.38Å; V53-K58 HydrophobicContact CG1-CG 3.87Å; V53-K58 VanDerWaalsContact O-CE 3.22Å; V53-K58 WeakPolarHBondContact O-CE 3.48Å; V53-P64 HydrophobicContact CB-CB 4.26Å; V53-P64 HydrophobicContact CB-CG 4.08Å; V53-P64 HydrophobicContact CG1-CB 4.13Å; V53-P64 HydrophobicContact CG1-CG 4.38Å; V53-P64 HydrophobicContact CG2-CB 3.9Å; V53-P64 HydrophobicContact CG2-CG 3.92Å; V53-Q68 HydrophobicContact CG2-CG 4.39Å; V53-F70 HydrophobicContact CG2-CE2 4.45Å; V53-F70 HydrophobicContact CG2-CZ 3.92Å; V53-Y75 HydrophobicContact CG1-CE2 4.41Å; V53-Y75 HydrophobicContact CG2-CD2 4.42Å; V53-Y75 HydrophobicContact CG2-CE2 3.96Å
54P95.1Very high91.4Very high35 Ų3562.4 Ų62.423%0.22732%0.323CS..  trans-58.7141.2178.1-23.933.8000112.3N52 E56 K57 K58 Y75N52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-E56 VanDerWaalsContact C-N 3.25Å; P54-E56 HydrophobicContact CB-CG 4.25Å; P54-E56 PolarHBondContact O-N 2.77Å; P54-K57 HydrophobicContact CB-CB 4.31Å; P54-K57 HydrophobicContact CB-CG 4.46Å; P54-K57 CarbonylContact O-C 3.53Å; P54-K57 WeakPolarHBondContact O-CA 3.41Å; P54-K57 WeakPolarHBondContact O-CB 3.43Å; P54-K57 PolarHBondContact O-N 2.89Å; P54-K58 PolarHBondContact O-N 3.3Å; P54-Y75 VanDerWaalsContact CD-CG 3.4Å; P54-Y75 HydrophobicContact CG-CD1 3.56Å; P54-Y75 HydrophobicContact CG-CE1 4.27Å; P54-Y75 HydrophobicContact CG-CG 3.96Å
55E91.2Very high91.4Very high132 Ų13257.5 Ų57.562%0.61730%0.301SS*.G310 helixtrans-59.2-36.9-176.1-167.165.2-156.300112.3K57 K58E55-K57 PolarHBondContact O-N 3.34Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 WeakPolarHBondContact OE2-CD 3.25Å; E55-K58 WeakPolarHBondContact OE2-CE 3.42Å; E55-K58 IonicContact OE2-NZ 2.75Å; E55-K58 PolarHBondContact OE2-NZ 3.05Å
56E92.2Very high91.4Very high164 Ų16456.1 Ų56.177%0.76629%0.294SS*.G310 helixtrans-67.6-16.4176.263.8-93.6-147.700114.4P54P54-E56 VanDerWaalsContact C-N 3.25Å; P54-E56 HydrophobicContact CB-CG 4.25Å; P54-E56 PolarHBondContact O-N 2.77Å
57K91.1Very high91.5Very high88 Ų8855.9 Ų55.938%0.38329%0.293SS..G310 helixtrans-104.7-3.2179.7-75.2-73.6-165.2163.80112.2V53 P54 E55 Y75 T81V53-K57 HydrophobicContact CG1-CB 4.38Å; P54-K57 HydrophobicContact CB-CB 4.31Å; P54-K57 HydrophobicContact CB-CG 4.46Å; P54-K57 CarbonylContact O-C 3.53Å; P54-K57 WeakPolarHBondContact O-CA 3.41Å; P54-K57 WeakPolarHBondContact O-CB 3.43Å; P54-K57 PolarHBondContact O-N 2.89Å; E55-K57 PolarHBondContact O-N 3.34Å; K57-Y75 HydrophobicContact CB-CE1 3.8Å; K57-Y75 HydrophobicContact CD-CE1 4.31Å; K57-Y75 HydrophobicContact CG-CD1 4.47Å; K57-Y75 HydrophobicContact CG-CE1 3.8Å; K57-T81 PolarHBondContact NZ-OG1 3.27Å
58K90.3Very high91.7Very high52 Ų5254 Ų5423%0.22628%0.284CS..SBendtrans-74142.8174.2-69179.5-172.9170.80110.3V53 P54 E55V53-K58 HydrophobicContact CG1-CG 3.87Å; V53-K58 VanDerWaalsContact O-CE 3.22Å; V53-K58 WeakPolarHBondContact O-CE 3.48Å; P54-K58 PolarHBondContact O-N 3.3Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 WeakPolarHBondContact OE2-CD 3.25Å; E55-K58 WeakPolarHBondContact OE2-CE 3.42Å; E55-K58 IonicContact OE2-NZ 2.75Å; E55-K58 PolarHBondContact OE2-NZ 3.05Å
59P85.4Confident91.8Very high53 Ų5350.9 Ų50.934%0.34427%0.272SS..  trans-63.6167.8171.923.2-30.5000112N61 G62 I63P59-N61 VanDerWaalsContact CG-OD1 3.22Å; P59-N61 WeakPolarHBondContact CG-OD1 3.38Å; P59-N61 PolarHBondContact O-N 3.27Å; P59-N61 VanDerWaalsContact O-N 3.13Å; P59-G62 WeakPolarHBondContact O-CA 3.46Å; P59-G62 PolarHBondContact O-N 3.42Å; P59-I63 WeakPolarHBondContact CG-O 3.42Å
60S79.9Confident91.9Very high141 Ų14150.9 Ų50.999%0.98627%0.272SS*.THydrogen-bonded Turntrans-59.3-27.3-174.6-58.80000114.5G62S60-G62 VanDerWaalsContact C-N 3.3Å
61N77.6Confident92Very high68 Ų6850.1 Ų50.136%0.36427%0.271SS..THydrogen-bonded Turntrans-79.9-10.117557.522.8000112.9P59 I63 L199P59-N61 VanDerWaalsContact CG-OD1 3.22Å; P59-N61 WeakPolarHBondContact CG-OD1 3.38Å; P59-N61 PolarHBondContact O-N 3.27Å; P59-N61 VanDerWaalsContact O-N 3.13Å; N61-I63 VanDerWaalsContact C-N 3.32Å; N61-I63 PolarHBondContact O-N 3.09Å; N61-I63 PolarHBondContact OD1-N 3.49Å; N61-I63 PolarHBondContact OD1-O 3.36Å; N61-L199 HydrophobicContact CB-CD1 4.3Å; N61-L199 HydrophobicContact CB-CD2 3.9Å; N61-L199 VanDerWaalsContact ND2-CD1 3.35Å; N61-L199 WeakPolarHBondContact ND2-CD1 3.44Å; N61-L199 WeakPolarHBondContact ND2-CD2 3.34Å
62G80Confident92Very high32 Ų3247.7 Ų47.733%0.3326%0.259SS..SBendtrans82.9-4.5179.300000115.6P59 S60 P64P59-G62 WeakPolarHBondContact O-CA 3.46Å; P59-G62 PolarHBondContact O-N 3.42Å; S60-G62 VanDerWaalsContact C-N 3.3Å; G62-P64 WeakPolarHBondContact O-CD 3.37Å
63I89.1Confident91.9Very high16 Ų1652.1 Ų52.18%0.08228%0.278CS..  trans-108.6108.1-175.4-59.1-179.7000109.9P59 N61 L65 E195 L196 L199P59-I63 WeakPolarHBondContact CG-O 3.42Å; N61-I63 VanDerWaalsContact C-N 3.32Å; N61-I63 PolarHBondContact O-N 3.09Å; N61-I63 PolarHBondContact OD1-N 3.49Å; N61-I63 PolarHBondContact OD1-O 3.36Å; I63-L65 PolarHBondContact O-N 2.99Å; I63-E195 HydrophobicContact CD1-CG 3.76Å; I63-E195 WeakPolarHBondContact CD1-OE2 3.21Å; I63-L196 HydrophobicContact CG2-CD2 3.69Å; I63-L199 HydrophobicContact CB-CD1 3.69Å; I63-L199 HydrophobicContact CD1-CD1 3.96Å; I63-L199 HydrophobicContact CG1-CD1 4.25Å; I63-L199 HydrophobicContact CG2-CD1 4.15Å
64P92.8Very high91.9Very high2 Ų255.8 Ų55.81%0.01330%0.304CS..PPolyproline II helixtrans-67.5130.217626.4-32.5000111.3M49 R50 V53 G62 Q68M49-P64 HydrophobicContact CE-CG 4.29Å; M49-P64 WeakPolarHBondContact CE-O 3.14Å; R50-P64 HydrophobicContact CB-CG 4.46Å; R50-P64 HydrophobicContact CG-CG 4.12Å; V53-P64 HydrophobicContact CB-CB 4.26Å; V53-P64 HydrophobicContact CB-CG 4.08Å; V53-P64 HydrophobicContact CG1-CB 4.13Å; V53-P64 HydrophobicContact CG1-CG 4.38Å; V53-P64 HydrophobicContact CG2-CB 3.9Å; V53-P64 HydrophobicContact CG2-CG 3.92Å; G62-P64 WeakPolarHBondContact O-CD 3.37Å; P64-Q68 HydrophobicContact CB-CG 4.48Å
65L94.5Very high92Very high26 Ų2655.8 Ų55.814%0.13630%0.3CS..PPolyproline II helixtrans-94.4147.8175.3-64.1175.4000110.9I16 I63 Q68 L196 L199 E200 E203I16-L65 HydrophobicContact CD1-CB 4.38Å; I16-L65 HydrophobicContact CD1-CD1 4.26Å; I63-L65 PolarHBondContact O-N 2.99Å; L65-Q68 WeakPolarHBondContact O-CG 3.3Å; L65-Q68 PolarHBondContact O-NE2 2.98Å; L65-L196 HydrophobicContact CD2-CD2 3.7Å; L65-L199 HydrophobicContact CD1-CB 4.27Å; L65-L199 HydrophobicContact CD2-CB 4.25Å; L65-E200 HydrophobicContact CD2-CG 4.46Å; L65-E203 WeakPolarHBondContact CD1-OE2 3.1Å
66P95.9Very high92.3Very high6 Ų650.6 Ų50.64%0.03928%0.277CS..SBendtrans-73.1156.3176.230.7-33.5000112A8 I16 I39A8-P66 HydrophobicContact CB-CG 3.63Å; I16-P66 HydrophobicContact CG2-CG 4.02Å; I39-P66 HydrophobicContact CD1-CB 4.2Å; I39-P66 HydrophobicContact CD1-CG 3.86Å
67P97.7Very high92.6Very high2 Ų242.8 Ų42.81%0.01324%0.241CC..PPolyproline II helixcis-77.2143.22.330.6-33000113.2F6 L7 K19 Q20 V23 Y79F6-P67 WeakPolarHBondContact O-CA 3.37Å; L7-P67 HydrophobicContact CD2-CB 4.1Å; K19-P67 HydrophobicContact CB-CG 4.3Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.2Å; V23-P67 HydrophobicContact CG2-CB 4.24Å; V23-P67 HydrophobicContact CG2-CG 3.79Å; P67-Y79 HydrophobicContact CG-CD2 4.18Å; P67-Y79 HydrophobicContact CG-CG 4.5Å
68Q98.3Very high92.9Very high9 Ų940.1 Ų40.14%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-124.9127.2172.3-64.3-67.1-22.800110.2F6 M49 V53 P64 L65 F70 Y75F6-Q68 HydrophobicContact CB-CB 4.2Å; F6-Q68 PolarHBondContact N-O 2.86Å; F6-Q68 PolarHBondContact O-N 3.33Å; F6-Q68 VanDerWaalsContact O-N 3.15Å; M49-Q68 HydrophobicContact CG-CB 3.9Å; M49-Q68 HydrophobicContact CG-CG 3.97Å; M49-Q68 HydrophobicContact SD-CB 3.78Å; M49-Q68 HydrophobicContact SD-CG 3.55Å; M49-Q68 VanDerWaalsContact SD-CG 3.55Å; V53-Q68 HydrophobicContact CG2-CG 4.39Å; P64-Q68 HydrophobicContact CB-CG 4.48Å; L65-Q68 WeakPolarHBondContact O-CG 3.3Å; L65-Q68 PolarHBondContact O-NE2 2.98Å; Q68-F70 HydrophobicContact CB-CE2 4.04Å; Q68-Y75 VanDerWaalsContact OE1-CE2 3.24Å; Q68-Y75 PolarHBondContact OE1-OH 3.37Å
69I98.5Very high93.2Very high0 Ų039.6 Ų39.60%023%0.228CC..EExtended strand (participates in β ladder)trans-112.7131.1-169.3-54.6162.9000110.1I3 V5 V23 C76 G77 F82 F94 L95I3-I69 HydrophobicContact CG2-CG2 3.99Å; V5-I69 HydrophobicContact CG1-CG1 4.41Å; V23-I69 HydrophobicContact CG1-CD1 3.68Å; V23-I69 HydrophobicContact CG1-CG1 4.13Å; V23-I69 HydrophobicContact CG2-CD1 4.23Å; I69-C76 HydrophobicContact CB-CB 4.31Å; I69-C76 HydrophobicContact CG2-CB 4.06Å; I69-C76 WeakPolarHBondContact O-CB 3.42Å; I69-C76 PolarHBondContact O-N 3.14Å; I69-G77 PolarHBondContact N-O 3.36Å; I69-G77 PolarHBondContact O-N 3.14Å; I69-F82 HydrophobicContact CD1-CB 3.87Å; I69-F82 HydrophobicContact CD1-CD2 3.97Å; I69-F82 HydrophobicContact CD1-CG 4.03Å; I69-F94 HydrophobicContact CB-CE1 4.32Å; I69-F94 HydrophobicContact CB-CZ 4.34Å; I69-F94 HydrophobicContact CD1-CE1 3.74Å; I69-F94 HydrophobicContact CD1-CZ 3.97Å; I69-F94 HydrophobicContact CG2-CE1 4.19Å; I69-L95 HydrophobicContact CG2-CD2 3.7Å
70F98.3Very high93.7Very high0 Ų041.6 Ų41.60%024%0.236CC..EExtended strand (participates in β ladder)trans-130.6147.6177.3-66.2-104.2000110.5I3 K4 F6 W48 M49 N52 V53 Q68 S74 Y75I3-F70 CarbonylContact C-O 3.57Å; I3-F70 WeakPolarHBondContact CA-O 3.28Å; K4-F70 HydrophobicContact CB-CB 4.21Å; K4-F70 PolarHBondContact N-O 3.02Å; K4-F70 PolarHBondContact O-N 3.33Å; F6-F70 AromaticContact CD2-CD2 3.65Å; F6-F70 HydrophobicContact CD2-CD2 3.65Å; F6-F70 AromaticContact CD2-CE2 3.84Å; F6-F70 HydrophobicContact CD2-CE2 3.84Å; F6-F70 AromaticContact CE2-CD2 3.65Å; F6-F70 HydrophobicContact CE2-CD2 3.65Å; F6-F70 AromaticContact CE2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CG 4.37Å; W48-F70 AromaticContact CH2-CD1 3.77Å; W48-F70 HydrophobicContact CH2-CD1 3.77Å; W48-F70 HydrophobicContact CH2-CE1 4.03Å; W48-F70 HydrophobicContact CH2-CG 4.12Å; W48-F70 AromaticContact CZ3-CD1 3.79Å; W48-F70 HydrophobicContact CZ3-CD1 3.79Å; W48-F70 HydrophobicContact CZ3-CD2 4.02Å; W48-F70 AromaticContact CZ3-CE1 3.78Å; W48-F70 HydrophobicContact CZ3-CE1 3.78Å; W48-F70 HydrophobicContact CZ3-CE2 4.01Å; W48-F70 AromaticContact CZ3-CG 3.92Å; W48-F70 HydrophobicContact CZ3-CG 3.92Å; W48-F70 AromaticContact CZ3-CZ 3.88Å; W48-F70 HydrophobicContact CZ3-CZ 3.88Å; M49-F70 HydrophobicContact CG-CE2 4.49Å; N52-F70 HydrophobicContact CB-CE1 3.76Å; N52-F70 HydrophobicContact CB-CZ 4.12Å; V53-F70 HydrophobicContact CG2-CE2 4.45Å; V53-F70 HydrophobicContact CG2-CZ 3.92Å; Q68-F70 HydrophobicContact CB-CE2 4.04Å; F70-S74 CarbonylContact C-O 3.43Å; F70-S74 VanDerWaalsContact CA-O 3.28Å; F70-S74 WeakPolarHBondContact CA-O 3.18Å; F70-Y75 HydrophobicContact CD1-CD2 4.08Å; F70-Y75 HydrophobicContact CD2-CD2 4.38Å; F70-Y75 AromaticContact CE1-CD2 3.56Å; F70-Y75 HydrophobicContact CE1-CD2 3.56Å; F70-Y75 HydrophobicContact CE1-CG 4.16Å; F70-Y75 AromaticContact CE2-CD2 3.92Å; F70-Y75 HydrophobicContact CE2-CD2 3.92Å; F70-Y75 HydrophobicContact CE2-CE2 4.31Å; F70-Y75 HydrophobicContact CG-CD2 4.46Å; F70-Y75 AromaticContact CZ-CD2 3.48Å; F70-Y75 HydrophobicContact CZ-CD2 3.48Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.48Å; F70-Y75 HydrophobicContact CZ-CE2 4.12Å; F70-Y75 HydrophobicContact CZ-CG 4.45Å
71N97.2Very high94.6Very high19 Ų1936.5 Ų36.510%0.10220%0.199CC..EExtended strand (participates in β ladder)trans-102.8102.4162.3-174.9-7000107.7I3 E73 S74 C76 L95I3-N71 HydrophobicContact CD1-CB 3.92Å; N71-E73 PolarHBondContact O-N 3.46Å; N71-S74 PolarHBondContact N-O 2.96Å; N71-S74 WeakPolarHBondContact O-CB 3.48Å; N71-S74 PolarHBondContact O-N 2.9Å; N71-C76 PolarHBondContact N-SG 2.88Å; N71-L95 WeakPolarHBondContact CB-O 3.41Å; N71-L95 PolarHBondContact ND2-O 2.92Å
72E94.3Very high95.5Very high94 Ų9433.3 Ų33.344%0.43918%0.182SC..THydrogen-bonded Turntrans58.7-94.3-171.3-61.1174.7178.200113.3M1 V2 K4M1-E72 WeakPolarHBondContact CA-OE1 3.22Å; M1-E72 PolarHBondContact N-OE1 3.26Å; V2-E72 PolarHBondContact O-N 3.21Å; K4-E72 WeakPolarHBondContact CD-O 3.26Å; K4-E72 WeakPolarHBondContact CE-O 3.46Å; K4-E72 PolarHBondContact NZ-O 2.65Å
73E94.5Very high96.4Very high152 Ų15235.7 Ų35.771%0.7118%0.183SC*.THydrogen-bonded Turntrans-113.9-8.7176.1-64.4179173.500111.9W48 N71W48-E73 HydrophobicContact CZ2-CG 4.44Å; N71-E73 PolarHBondContact O-N 3.46Å
74S96Very high96.8Very high81 Ų8139.6 Ų39.657%0.56620%0.204SC*.EExtended strand (participates in β ladder)trans-83.1122.7179.1-171.40000109.9F70 N71 C76F70-S74 CarbonylContact C-O 3.43Å; F70-S74 VanDerWaalsContact CA-O 3.28Å; F70-S74 WeakPolarHBondContact CA-O 3.18Å; N71-S74 PolarHBondContact N-O 2.96Å; N71-S74 WeakPolarHBondContact O-CB 3.48Å; N71-S74 PolarHBondContact O-N 2.9Å; S74-C76 PolarHBondContact O-N 3.09Å
75Y97.8Very high97Very high35 Ų3539.9 Ų39.914%0.13721%0.206CC..EExtended strand (participates in β ladder)trans-64.9127.4171.9-175.9-117.1000110.7V53 P54 K57 Q68 F70 G77 D78V53-Y75 HydrophobicContact CG1-CE2 4.41Å; V53-Y75 HydrophobicContact CG2-CD2 4.42Å; V53-Y75 HydrophobicContact CG2-CE2 3.96Å; P54-Y75 VanDerWaalsContact CD-CG 3.4Å; P54-Y75 HydrophobicContact CG-CD1 3.56Å; P54-Y75 HydrophobicContact CG-CE1 4.27Å; P54-Y75 HydrophobicContact CG-CG 3.96Å; K57-Y75 HydrophobicContact CB-CE1 3.8Å; K57-Y75 HydrophobicContact CD-CE1 4.31Å; K57-Y75 HydrophobicContact CG-CD1 4.47Å; K57-Y75 HydrophobicContact CG-CE1 3.8Å; Q68-Y75 VanDerWaalsContact OE1-CE2 3.24Å; Q68-Y75 PolarHBondContact OE1-OH 3.37Å; F70-Y75 HydrophobicContact CD1-CD2 4.08Å; F70-Y75 HydrophobicContact CD2-CD2 4.38Å; F70-Y75 AromaticContact CE1-CD2 3.56Å; F70-Y75 HydrophobicContact CE1-CD2 3.56Å; F70-Y75 HydrophobicContact CE1-CG 4.16Å; F70-Y75 AromaticContact CE2-CD2 3.92Å; F70-Y75 HydrophobicContact CE2-CD2 3.92Å; F70-Y75 HydrophobicContact CE2-CE2 4.31Å; F70-Y75 HydrophobicContact CG-CD2 4.46Å; F70-Y75 AromaticContact CZ-CD2 3.48Å; F70-Y75 HydrophobicContact CZ-CD2 3.48Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.48Å; F70-Y75 HydrophobicContact CZ-CE2 4.12Å; F70-Y75 HydrophobicContact CZ-CG 4.45Å; Y75-G77 VanDerWaalsContact CZ-CA 3.42Å; Y75-D78 PolarHBondContact OH-N 3.18Å; Y75-D78 VanDerWaalsContact OH-N 3.14Å
76C97.8Very high97Very high22 Ų2240.9 Ų40.915%0.14921%0.21CC..EExtended strand (participates in β ladder)trans-94.4-51.7173.2-67.20000110.1I69 N71 S74 F94I69-C76 HydrophobicContact CB-CB 4.31Å; I69-C76 HydrophobicContact CG2-CB 4.06Å; I69-C76 WeakPolarHBondContact O-CB 3.42Å; I69-C76 PolarHBondContact O-N 3.14Å; N71-C76 PolarHBondContact N-SG 2.88Å; S74-C76 PolarHBondContact O-N 3.09Å; C76-F94 VanDerWaalsContact C-CE2 3.49Å; C76-F94 HydrophobicContact CB-CE1 4.02Å; C76-F94 HydrophobicContact CB-CE2 4.13Å; C76-F94 HydrophobicContact CB-CZ 3.82Å; C76-F94 WeakPolarHBondContact CB-O 3.44Å; C76-F94 VanDerWaalsContact O-CE2 3.24Å; C76-F94 WeakPolarHBondContact O-CE2 3.35Å; C76-F94 PolarHBondContact SG-O 3.37Å; C76-F94 VanDerWaalsContact SG-O 3.36Å
77G97.9Very high97Very high0 Ų046.3 Ų46.30%023%0.234CC..EExtended strand (participates in β ladder)trans162.3177.318000000114.3I69 Y75I69-G77 PolarHBondContact N-O 3.36Å; I69-G77 PolarHBondContact O-N 3.14Å; Y75-G77 VanDerWaalsContact CZ-CA 3.42Å
78D97.4Very high96.9Very high32 Ų3251.5 Ų51.517%0.17126%0.262CS..EExtended strand (participates in β ladder)trans-86.3-173.4170.348.429000110.7Y75 D80 T81 F82Y75-D78 PolarHBondContact OH-N 3.18Å; Y75-D78 VanDerWaalsContact OH-N 3.14Å; D78-D80 PolarHBondContact OD1-N 3.47Å; D78-T81 VanDerWaalsContact OD1-CB 3.25Å; D78-T81 WeakPolarHBondContact OD1-CB 3.28Å; D78-T81 PolarHBondContact OD1-N 2.86Å; D78-T81 PolarHBondContact OD1-OG1 3.06Å; D78-F82 WeakPolarHBondContact O-CB 3.37Å; D78-F82 PolarHBondContact O-N 3.41Å; D78-F82 VanDerWaalsContact O-N 3.09Å
79Y97.3Very high96.6Very high42 Ų4254.2 Ų54.217%0.16528%0.277CS..Hα-helixtrans-59.2-45.8176.5179.5-101.6000113.1K19 D22 V23 P67 T81 F82 F83K19-Y79 HydrophobicContact CB-CD1 4.11Å; K19-Y79 HydrophobicContact CB-CD2 3.5Å; K19-Y79 VanDerWaalsContact CB-CD2 3.5Å; K19-Y79 HydrophobicContact CB-CE1 4.37Å; K19-Y79 HydrophobicContact CB-CE2 3.8Å; K19-Y79 HydrophobicContact CB-CG 3.65Å; K19-Y79 HydrophobicContact CD-CD1 3.47Å; K19-Y79 VanDerWaalsContact CD-CD1 3.47Å; K19-Y79 HydrophobicContact CD-CD2 4.43Å; K19-Y79 HydrophobicContact CD-CE1 3.98Å; K19-Y79 HydrophobicContact CD-CG 3.72Å; K19-Y79 HydrophobicContact CG-CD1 3.57Å; K19-Y79 HydrophobicContact CG-CD2 3.88Å; K19-Y79 HydrophobicContact CG-CE1 3.66Å; K19-Y79 HydrophobicContact CG-CE2 3.97Å; K19-Y79 HydrophobicContact CG-CG 3.67Å; D22-Y79 HydrophobicContact CB-CE2 4.19Å; V23-Y79 HydrophobicContact CG2-CD2 3.85Å; V23-Y79 HydrophobicContact CG2-CE2 4.36Å; P67-Y79 HydrophobicContact CG-CD2 4.18Å; P67-Y79 HydrophobicContact CG-CG 4.5Å; Y79-T81 PolarHBondContact O-N 3.12Å; Y79-F82 HydrophobicContact CD2-CD1 4.42Å; Y79-F82 HydrophobicContact CE2-CD1 4.49Å; Y79-F82 CarbonylContact O-C 3.56Å; Y79-F82 WeakPolarHBondContact O-CB 3.38Å; Y79-F82 PolarHBondContact O-N 3.31Å; Y79-F82 VanDerWaalsContact O-N 3.14Å; Y79-F83 HydrophobicContact CE1-CB 4.27Å; Y79-F83 WeakPolarHBondContact O-CB 3.37Å; Y79-F83 PolarHBondContact O-N 3.29Å
80D95.9Very high96.5Very high94 Ų9456.4 Ų56.450%0.50329%0.291SS..Hα-helixtrans-65.5-43.7-174.6-61.4-22.2000110.8D78 F82 F83 D84D78-D80 PolarHBondContact OD1-N 3.47Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 2.94Å; D80-F83 WeakPolarHBondContact O-CB 3.45Å; D80-F83 PolarHBondContact O-N 3.26Å; D80-F83 VanDerWaalsContact O-N 3.16Å; D80-D84 PolarHBondContact O-N 3.22Å
81T97.1Very high96.4Very high35 Ų3556.7 Ų56.722%0.21529%0.292CS..Hα-helixtrans-62.5-37.3175.1-48.80000111.2K57 D78 Y79 A85 F94K57-T81 PolarHBondContact NZ-OG1 3.27Å; D78-T81 VanDerWaalsContact OD1-CB 3.25Å; D78-T81 WeakPolarHBondContact OD1-CB 3.28Å; D78-T81 PolarHBondContact OD1-N 2.86Å; D78-T81 PolarHBondContact OD1-OG1 3.06Å; Y79-T81 PolarHBondContact O-N 3.12Å; T81-A85 PolarHBondContact O-N 3.36Å; T81-F94 HydrophobicContact CG2-CD2 3.98Å; T81-F94 HydrophobicContact CG2-CE2 3.63Å
82F98.1Very high96.2Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-66.7-42174.1165.1-95.5000112.2V23 F26 I69 D78 Y79 D80 A85 K86 V91 F94V23-F82 HydrophobicContact CB-CE1 4.37Å; V23-F82 HydrophobicContact CG2-CD1 3.57Å; V23-F82 HydrophobicContact CG2-CE1 3.74Å; V23-F82 HydrophobicContact CG2-CG 4.06Å; V23-F82 HydrophobicContact CG2-CZ 4.36Å; F26-F82 HydrophobicContact CB-CZ 3.8Å; F26-F82 AromaticContact CD1-CE2 3.83Å; F26-F82 HydrophobicContact CD1-CE2 3.83Å; F26-F82 AromaticContact CD1-CZ 3.6Å; F26-F82 HydrophobicContact CD1-CZ 3.6Å; F26-F82 HydrophobicContact CE1-CE2 4.35Å; F26-F82 HydrophobicContact CE1-CZ 4.36Å; F26-F82 HydrophobicContact CG-CE2 4.47Å; F26-F82 AromaticContact CG-CZ 3.79Å; F26-F82 HydrophobicContact CG-CZ 3.79Å; I69-F82 HydrophobicContact CD1-CB 3.87Å; I69-F82 HydrophobicContact CD1-CD2 3.97Å; I69-F82 HydrophobicContact CD1-CG 4.03Å; D78-F82 WeakPolarHBondContact O-CB 3.37Å; D78-F82 PolarHBondContact O-N 3.41Å; D78-F82 VanDerWaalsContact O-N 3.09Å; Y79-F82 HydrophobicContact CD2-CD1 4.42Å; Y79-F82 HydrophobicContact CE2-CD1 4.49Å; Y79-F82 CarbonylContact O-C 3.56Å; Y79-F82 WeakPolarHBondContact O-CB 3.38Å; Y79-F82 PolarHBondContact O-N 3.31Å; Y79-F82 VanDerWaalsContact O-N 3.14Å; D80-F82 VanDerWaalsContact C-N 3.27Å; D80-F82 PolarHBondContact O-N 2.94Å; F82-A85 PolarHBondContact O-N 3.04Å; F82-K86 HydrophobicContact CE1-CD 4.08Å; F82-K86 HydrophobicContact CZ-CD 4.27Å; F82-K86 WeakPolarHBondContact O-CB 3.1Å; F82-K86 PolarHBondContact O-N 2.92Å; F82-V91 HydrophobicContact CD2-CG1 4.44Å; F82-V91 HydrophobicContact CE2-CG1 4.05Å; F82-F94 HydrophobicContact CB-CE1 3.94Å; F82-F94 HydrophobicContact CB-CZ 3.84Å; F82-F94 HydrophobicContact CD2-CD1 4.24Å; F82-F94 AromaticContact CD2-CE1 3.91Å; F82-F94 HydrophobicContact CD2-CE1 3.91Å; F82-F94 HydrophobicContact CG-CE1 4.44Å
83F97.5Very high96.3Very high82 Ų8256.1 Ų56.136%0.3630%0.299SS..Hα-helixtrans-62.1-45.8178.9-180-96.9000110.9Y79 D80 A85 K86 E87Y79-F83 HydrophobicContact CE1-CB 4.27Å; Y79-F83 WeakPolarHBondContact O-CB 3.37Å; Y79-F83 PolarHBondContact O-N 3.29Å; D80-F83 WeakPolarHBondContact O-CB 3.45Å; D80-F83 PolarHBondContact O-N 3.26Å; D80-F83 VanDerWaalsContact O-N 3.16Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.02Å; F83-K86 WeakPolarHBondContact O-CB 3.11Å; F83-K86 PolarHBondContact O-N 2.79Å; F83-K86 VanDerWaalsContact O-N 3.12Å; F83-E87 HydrophobicContact CD1-CG 4.34Å; F83-E87 HydrophobicContact CE1-CG 3.87Å; F83-E87 HydrophobicContact CE2-CG 4.41Å; F83-E87 HydrophobicContact CZ-CG 3.9Å; F83-E87 PolarHBondContact O-N 3.49Å
84D97.4Very high96.4Very high99 Ų9950.2 Ų50.253%0.52927%0.271SS..Hα-helixtrans-56.3-47.8173.4-73.1-17.6000111.3D80 K86 E87 D88D80-D84 PolarHBondContact O-N 3.22Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.28Å; D84-E87 PolarHBondContact O-N 3.24Å; D84-D88 WeakPolarHBondContact O-CB 3.42Å; D84-D88 PolarHBondContact O-N 2.99Å
85A96.9Very high96.4Very high7 Ų746.4 Ų46.46%0.05824%0.244CC..Hα-helixtrans-63.8-34.317800000112.8T81 F82 F83 N89 T90 V91 F94T81-A85 PolarHBondContact O-N 3.36Å; F82-A85 PolarHBondContact O-N 3.04Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 3.02Å; A85-N89 PolarHBondContact O-N 2.89Å; A85-T90 PolarHBondContact O-N 3.33Å; A85-T90 PolarHBondContact O-OG1 3.15Å; A85-V91 HydrophobicContact CB-CG2 4.29Å; A85-V91 WeakPolarHBondContact O-CG2 3.42Å; A85-F94 HydrophobicContact CB-CB 3.6Å; A85-F94 HydrophobicContact CB-CD2 4.23Å; A85-F94 HydrophobicContact CB-CG 3.92Å
86K95.2Very high96.3Very high48 Ų4846.7 Ų46.721%0.20926%0.257CS..Hα-helixtrans-66.2-46.1176179.3-178.4172.7-173.20111.2D22 F26 F82 F83 D84 N89 V91D22-K86 IonicContact OD1-NZ 3.36Å; D22-K86 PolarHBondContact OD1-NZ 3.13Å; D22-K86 IonicContact OD2-NZ 3.69Å; D22-K86 PolarHBondContact OD2-NZ 3.12Å; F26-K86 HydrophobicContact CD2-CD 3.99Å; F26-K86 HydrophobicContact CD2-CG 4.22Å; F26-K86 HydrophobicContact CE2-CD 4.1Å; F26-K86 HydrophobicContact CE2-CG 3.81Å; F26-K86 HydrophobicContact CG-CD 4.49Å; F26-K86 HydrophobicContact CZ-CG 4.1Å; F82-K86 HydrophobicContact CE1-CD 4.08Å; F82-K86 HydrophobicContact CZ-CD 4.27Å; F82-K86 WeakPolarHBondContact O-CB 3.1Å; F82-K86 PolarHBondContact O-N 2.92Å; F83-K86 WeakPolarHBondContact O-CB 3.11Å; F83-K86 PolarHBondContact O-N 2.79Å; F83-K86 VanDerWaalsContact O-N 3.12Å; D84-K86 VanDerWaalsContact C-N 3.29Å; D84-K86 PolarHBondContact O-N 3.28Å; K86-N89 PolarHBondContact O-N 2.71Å; K86-V91 VanDerWaalsContact CA-CG2 3.46Å; K86-V91 HydrophobicContact CB-CG2 4.06Å
87E95.8Very high96Very high119 Ų11947.1 Ų47.156%0.55626%0.258SS*.Hα-helixtrans-63.6-41.5176.2-71.1-63119.400111.5F83 D84 N89F83-E87 HydrophobicContact CD1-CG 4.34Å; F83-E87 HydrophobicContact CE1-CG 3.87Å; F83-E87 HydrophobicContact CE2-CG 4.41Å; F83-E87 HydrophobicContact CZ-CG 3.9Å; F83-E87 PolarHBondContact O-N 3.49Å; D84-E87 PolarHBondContact O-N 3.24Å; E87-N89 PolarHBondContact O-N 2.96Å; E87-N89 PolarHBondContact O-ND2 2.88Å
88D94.8Very high95.7Very high111 Ų11151.8 Ų51.859%0.59429%0.289SS*.Hα-helixtrans-75.9-7.3178.7-77.6-19.4000114D84 T90D84-D88 WeakPolarHBondContact O-CB 3.42Å; D84-D88 PolarHBondContact O-N 2.99Å; D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 HydrophobicContact CB-CG2 4.14Å; D88-T90 PolarHBondContact O-N 3.19Å
89N93.4Very high95.4Very high66 Ų6652.2 Ų52.235%0.35329%0.293SS..THydrogen-bonded Turntrans58.435.6-173.5-55.2-116.8000112.5A85 K86 E87 K104A85-N89 PolarHBondContact O-N 2.89Å; K86-N89 PolarHBondContact O-N 2.71Å; E87-N89 PolarHBondContact O-N 2.96Å; E87-N89 PolarHBondContact O-ND2 2.88Å; N89-K104 PolarHBondContact OD1-NZ 2.82Å
90T95.7Very high95Very high47 Ų4752.5 Ų52.529%0.28830%0.3SS..  trans-114.524.6-178.9550000112.6A85 D88 Y92 A93 F94 E105A85-T90 PolarHBondContact O-N 3.33Å; A85-T90 PolarHBondContact O-OG1 3.15Å; D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 HydrophobicContact CB-CG2 4.14Å; D88-T90 PolarHBondContact O-N 3.19Å; T90-Y92 VanDerWaalsContact C-N 3.29Å; T90-Y92 PolarHBondContact O-N 3.05Å; T90-A93 PolarHBondContact O-N 2.97Å; T90-F94 PolarHBondContact O-N 2.96Å; T90-E105 WeakPolarHBondContact CA-OE2 3.15Å
91V95.7Very high94.5Very high5 Ų554.3 Ų54.33%0.0332%0.317CS..Hα-helixtrans-64.3-32.4-174.5-176.80000112.3F26 F82 A85 K86 F94 L95F26-V91 HydrophobicContact CD1-CG1 4.42Å; F26-V91 HydrophobicContact CE1-CB 3.98Å; F26-V91 HydrophobicContact CE1-CG1 3.79Å; F26-V91 HydrophobicContact CE1-CG2 3.7Å; F26-V91 HydrophobicContact CZ-CG2 3.95Å; F82-V91 HydrophobicContact CD2-CG1 4.44Å; F82-V91 HydrophobicContact CE2-CG1 4.05Å; A85-V91 HydrophobicContact CB-CG2 4.29Å; A85-V91 WeakPolarHBondContact O-CG2 3.42Å; K86-V91 VanDerWaalsContact CA-CG2 3.46Å; K86-V91 HydrophobicContact CB-CG2 4.06Å; V91-F94 WeakPolarHBondContact O-CB 3.22Å; V91-F94 PolarHBondContact O-N 3.29Å; V91-L95 HydrophobicContact CG1-CD1 3.87Å; V91-L95 HydrophobicContact CG1-CG 4.06Å; V91-L95 WeakPolarHBondContact O-CB 3.43Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 2.99Å
92Y94.9Very high93.8Very high37 Ų3755.7 Ų55.715%0.14534%0.338CS..Hα-helixtrans-67-43177.9-65.7-82.8000110.5L30 V32 T90 L95 G96 L97 P99 P100 E105L30-Y92 HydrophobicContact CD1-CE2 4.26Å; V32-Y92 HydrophobicContact CG2-CE1 4.35Å; T90-Y92 VanDerWaalsContact C-N 3.29Å; T90-Y92 PolarHBondContact O-N 3.05Å; Y92-L95 CarbonylContact O-C 3.56Å; Y92-L95 PolarHBondContact O-N 3.04Å; Y92-G96 PolarHBondContact O-N 3.43Å; Y92-G96 VanDerWaalsContact O-N 3.07Å; Y92-L97 CarbonylContact C-O 3.34Å; Y92-L97 HydrophobicContact CD1-CB 4.29Å; Y92-L97 PolarHBondContact O-N 3.43Å; Y92-L97 VanDerWaalsContact O-O 3.05Å; Y92-P99 HydrophobicContact CD2-CB 4.36Å; Y92-P99 HydrophobicContact CG-CB 4.34Å; Y92-P100 HydrophobicContact CE1-CG 4Å; Y92-P100 VanDerWaalsContact CE2-CD 3.47Å; Y92-P100 HydrophobicContact CE2-CG 3.91Å; Y92-E105 WeakPolarHBondContact CB-OE2 3.37Å; Y92-E105 VanDerWaalsContact CD2-OE2 3.31Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.5Å; Y92-E105 PolarHBondContact N-OE2 2.77Å
93A95.1Very high93.2Very high65 Ų6556.9 Ų56.954%0.53735%0.347SS..Hα-helixtrans-61.3-42.7172.200000112.5T90 L95 G96 E105T90-A93 PolarHBondContact O-N 2.97Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 3.23Å; A93-G96 PolarHBondContact O-N 2.98Å; A93-E105 WeakPolarHBondContact CA-OE1 3.4Å; A93-E105 WeakPolarHBondContact CB-OE1 3.36Å; A93-E105 PolarHBondContact N-OE1 3.2Å
94F96.9Very high92.6Very high28 Ų2859.6 Ų59.612%0.12336%0.358CS..Hα-helixtrans-56.7-45.2174.5167-98.1000112I69 C76 T81 F82 A85 T90 V91 G96I69-F94 HydrophobicContact CB-CE1 4.32Å; I69-F94 HydrophobicContact CB-CZ 4.34Å; I69-F94 HydrophobicContact CD1-CE1 3.74Å; I69-F94 HydrophobicContact CD1-CZ 3.97Å; I69-F94 HydrophobicContact CG2-CE1 4.19Å; C76-F94 VanDerWaalsContact C-CE2 3.49Å; C76-F94 HydrophobicContact CB-CE1 4.02Å; C76-F94 HydrophobicContact CB-CE2 4.13Å; C76-F94 HydrophobicContact CB-CZ 3.82Å; C76-F94 WeakPolarHBondContact CB-O 3.44Å; C76-F94 VanDerWaalsContact O-CE2 3.24Å; C76-F94 WeakPolarHBondContact O-CE2 3.35Å; C76-F94 PolarHBondContact SG-O 3.37Å; C76-F94 VanDerWaalsContact SG-O 3.36Å; T81-F94 HydrophobicContact CG2-CD2 3.98Å; T81-F94 HydrophobicContact CG2-CE2 3.63Å; F82-F94 HydrophobicContact CB-CE1 3.94Å; F82-F94 HydrophobicContact CB-CZ 3.84Å; F82-F94 HydrophobicContact CD2-CD1 4.24Å; F82-F94 AromaticContact CD2-CE1 3.91Å; F82-F94 HydrophobicContact CD2-CE1 3.91Å; F82-F94 HydrophobicContact CG-CE1 4.44Å; A85-F94 HydrophobicContact CB-CB 3.6Å; A85-F94 HydrophobicContact CB-CD2 4.23Å; A85-F94 HydrophobicContact CB-CG 3.92Å; T90-F94 PolarHBondContact O-N 2.96Å; V91-F94 WeakPolarHBondContact O-CB 3.22Å; V91-F94 PolarHBondContact O-N 3.29Å; F94-G96 PolarHBondContact O-N 3.44Å
95L96.4Very high92.1Very high0 Ų055.7 Ų55.70%034%0.337CS..THydrogen-bonded Turntrans-74.5-5.1176.5-64.1175.6000113.1I3 L27 V32 I69 N71 V91 Y92 A93 L97I3-L95 HydrophobicContact CD1-CB 3.97Å; I3-L95 HydrophobicContact CD1-CD2 4.22Å; I3-L95 HydrophobicContact CG1-CD2 4.48Å; I3-L95 HydrophobicContact CG2-CD2 4.13Å; L27-L95 HydrophobicContact CD2-CD1 3.65Å; L27-L95 HydrophobicContact CD2-CD2 4.39Å; V32-L95 HydrophobicContact CG1-CD1 4.32Å; V32-L95 HydrophobicContact CG2-CD1 4.44Å; I69-L95 HydrophobicContact CG2-CD2 3.7Å; N71-L95 WeakPolarHBondContact CB-O 3.41Å; N71-L95 PolarHBondContact ND2-O 2.92Å; V91-L95 HydrophobicContact CG1-CD1 3.87Å; V91-L95 HydrophobicContact CG1-CG 4.06Å; V91-L95 WeakPolarHBondContact O-CB 3.43Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 2.99Å; Y92-L95 CarbonylContact O-C 3.56Å; Y92-L95 PolarHBondContact O-N 3.04Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 3.23Å; L95-L97 HydrophobicContact CB-CB 4.46Å; L95-L97 HydrophobicContact CB-CD1 3.98Å; L95-L97 HydrophobicContact CB-CG 3.86Å; L95-L97 HydrophobicContact CD1-CD1 4.07Å; L95-L97 PolarHBondContact O-N 3.01Å
96G94.6Very high91.5Very high41 Ų4155.8 Ų55.842%0.42334%0.337SS..THydrogen-bonded Turntrans6526-17300000113.4Y92 A93 F94Y92-G96 PolarHBondContact O-N 3.43Å; Y92-G96 VanDerWaalsContact O-N 3.07Å; A93-G96 PolarHBondContact O-N 2.98Å; F94-G96 PolarHBondContact O-N 3.44Å
97L92.9Very high91.1Very high32 Ų3258.2 Ų58.217%0.16835%0.352CS..PPolyproline II helixtrans-100.1147.6177.9-61.7-179.9000110.6M1 I3 V32 Y92 L95M1-L97 HydrophobicContact CB-CD2 3.95Å; M1-L97 HydrophobicContact CG-CD2 4.38Å; M1-L97 HydrophobicContact SD-CD2 3.79Å; I3-L97 HydrophobicContact CD1-CD1 4.21Å; I3-L97 HydrophobicContact CD1-CD2 4.3Å; I3-L97 HydrophobicContact CD1-CG 4.25Å; I3-L97 HydrophobicContact CG1-CD1 4.17Å; V32-L97 HydrophobicContact CG1-CD1 3.89Å; V32-L97 HydrophobicContact CG2-CD1 4.43Å; Y92-L97 CarbonylContact C-O 3.34Å; Y92-L97 HydrophobicContact CD1-CB 4.29Å; Y92-L97 PolarHBondContact O-N 3.43Å; Y92-L97 VanDerWaalsContact O-O 3.05Å; L95-L97 HydrophobicContact CB-CB 4.46Å; L95-L97 HydrophobicContact CB-CD1 3.98Å; L95-L97 HydrophobicContact CB-CG 3.86Å; L95-L97 HydrophobicContact CD1-CD1 4.07Å; L95-L97 PolarHBondContact O-N 3.01Å
98P91.6Very high90.5Very high98 Ų9856.9 Ų56.964%0.63635%0.346SS*.PPolyproline II helixtrans-67.8130.8171.128-32.4000109.8
99P90.4Very high89.9Confident41 Ų4154 Ų5427%0.26634%0.338SS..PPolyproline II helixtrans-65137.7178.127.1-34.4000110.2Y92 E105 A106Y92-P99 HydrophobicContact CD2-CB 4.36Å; Y92-P99 HydrophobicContact CG-CB 4.34Å; P99-E105 HydrophobicContact CB-CB 3.88Å; P99-E105 HydrophobicContact CB-CG 4.01Å; P99-E105 HydrophobicContact CG-CG 4.39Å; P99-A106 HydrophobicContact CB-CB 4.11Å; P99-A106 HydrophobicContact CG-CB 4.17Å
100P88.2Confident89.4Confident48 Ų4856.6 Ų56.631%0.31235%0.347SS..PPolyproline II helixtrans-67.3147.1-177.322.5-28.4000111.1Y92 G102 S103 A106Y92-P100 HydrophobicContact CE1-CG 4Å; Y92-P100 VanDerWaalsContact CE2-CD 3.47Å; Y92-P100 HydrophobicContact CE2-CG 3.91Å; P100-G102 PolarHBondContact O-N 3.48Å; P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.49Å; P100-S103 PolarHBondContact O-N 2.8Å; P100-S103 PolarHBondContact O-OG 3.29Å; P100-A106 WeakPolarHBondContact O-CB 3.35Å
101P86.2Confident88.6Confident132 Ų13260.8 Ų60.886%0.85736%0.362SS*.THydrogen-bonded Turntrans-55.3131.7179.5-25.634.1000112.2S103P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.09Å
102G82.4Confident87.7Confident64 Ų6466.8 Ų66.866%0.6639%0.39SS*.THydrogen-bonded Turntrans81.4-1.2-178.900000115.4P100P100-G102 PolarHBondContact O-N 3.48Å
103S86.1Confident86.6Confident25 Ų2570.8 Ų70.818%0.17541%0.409CS..SBendtrans-66.8156.5165.9630000111.3P100 P101 E105 A106 L107P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.49Å; P100-S103 PolarHBondContact O-N 2.8Å; P100-S103 PolarHBondContact O-OG 3.29Å; P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.09Å; S103-E105 PolarHBondContact O-N 3.13Å; S103-A106 PolarHBondContact O-N 3.16Å; S103-A106 WeakPolarHBondContact OG-CB 3.44Å; S103-A106 PolarHBondContact OG-N 2.94Å; S103-A106 VanDerWaalsContact OG-N 3.17Å; S103-L107 WeakPolarHBondContact O-CG 3.46Å; S103-L107 PolarHBondContact O-N 2.93Å; S103-L107 VanDerWaalsContact O-N 3.14Å
104K85.1Confident85.6Confident138 Ų13873.4 Ų73.460%0.641%0.413SS*.Hα-helixtrans-55.5-41175.2-71.4-177.9-177.8172.10111.8N89 L107 Q108N89-K104 PolarHBondContact OD1-NZ 2.82Å; K104-L107 PolarHBondContact O-N 3.44Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.01Å
105E86.1Confident84.2Confident17 Ų1778 Ų788%0.07944%0.436CS..Hα-helixtrans-66.5-43.6-179.5-164.3175.3164.700112.1T90 Y92 A93 P99 S103 L107 Q108 A109T90-E105 WeakPolarHBondContact CA-OE2 3.15Å; Y92-E105 WeakPolarHBondContact CB-OE2 3.37Å; Y92-E105 VanDerWaalsContact CD2-OE2 3.31Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.5Å; Y92-E105 PolarHBondContact N-OE2 2.77Å; A93-E105 WeakPolarHBondContact CA-OE1 3.4Å; A93-E105 WeakPolarHBondContact CB-OE1 3.36Å; A93-E105 PolarHBondContact N-OE1 3.2Å; P99-E105 HydrophobicContact CB-CB 3.88Å; P99-E105 HydrophobicContact CB-CG 4.01Å; P99-E105 HydrophobicContact CG-CG 4.39Å; S103-E105 PolarHBondContact O-N 3.13Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.48Å; E105-Q108 PolarHBondContact O-N 2.96Å; E105-A109 PolarHBondContact O-N 3.33Å
106A85.2Confident82.3Confident9 Ų986.3 Ų86.37%0.07448%0.475CS..Hα-helixtrans-60-41.5174.600000111.9P99 P100 S103 Q108 A109 E110P99-A106 HydrophobicContact CB-CB 4.11Å; P99-A106 HydrophobicContact CG-CB 4.17Å; P100-A106 WeakPolarHBondContact O-CB 3.35Å; S103-A106 PolarHBondContact O-N 3.16Å; S103-A106 WeakPolarHBondContact OG-CB 3.44Å; S103-A106 PolarHBondContact OG-N 2.94Å; S103-A106 VanDerWaalsContact OG-N 3.17Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; A106-Q108 PolarHBondContact O-N 2.95Å; A106-A109 PolarHBondContact O-N 3Å; A106-E110 WeakPolarHBondContact O-CG 3.45Å; A106-E110 PolarHBondContact O-N 3.4Å
107L86.1Confident80.5Confident100 Ų10090.3 Ų90.352%0.52449%0.487SS..Hα-helixtrans-65.1-36.4176.8-65.7172000112.4S103 K104 E105 K111S103-L107 WeakPolarHBondContact O-CG 3.46Å; S103-L107 PolarHBondContact O-N 2.93Å; S103-L107 VanDerWaalsContact O-N 3.14Å; K104-L107 PolarHBondContact O-N 3.44Å; E105-L107 VanDerWaalsContact C-N 3.31Å; E105-L107 PolarHBondContact O-N 3.48Å; L107-K111 WeakPolarHBondContact O-CB 3.26Å; L107-K111 PolarHBondContact O-N 3.47Å; L107-K111 VanDerWaalsContact O-N 3.11Å
108Q83.4Confident78.6Confident91 Ų9190.5 Ų90.543%0.42550%0.497SS..Hα-helixtrans-67.4-47.8174.9-75.8168.6-2100111.1K104 E105 A106 E110 K111 E112K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.01Å; E105-Q108 PolarHBondContact O-N 2.96Å; A106-Q108 VanDerWaalsContact C-N 3.34Å; A106-Q108 PolarHBondContact O-N 2.95Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 3.06Å; Q108-K111 WeakPolarHBondContact O-CB 3.4Å; Q108-K111 PolarHBondContact O-N 3.41Å; Q108-K111 VanDerWaalsContact O-N 3.12Å; Q108-E112 PolarHBondContact O-N 3.41Å
109A81.8Confident76.4Confident50 Ų5092 Ų9241%0.41350%0.504SS..Hα-helixtrans-59.8-41.7177.800000112.4E105 A106 E112 H113E105-A109 PolarHBondContact O-N 3.33Å; A106-A109 PolarHBondContact O-N 3Å; A109-E112 PolarHBondContact O-N 2.99Å; A109-H113 WeakPolarHBondContact O-CB 3.4Å; A109-H113 PolarHBondContact O-N 2.96Å
110E81.7Confident74.3Confident120 Ų12099.4 Ų99.456%0.56154%0.535SS*.Hα-helixtrans-62.2-43.2174-76179.1-17100112A106 Q108 H113 I114A106-E110 WeakPolarHBondContact O-CG 3.45Å; A106-E110 PolarHBondContact O-N 3.4Å; Q108-E110 VanDerWaalsContact C-N 3.34Å; Q108-E110 PolarHBondContact O-N 3.06Å; E110-H113 PolarHBondContact O-N 3.23Å; E110-I114 WeakPolarHBondContact O-CD1 3.16Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 3.43Å; E110-I114 PolarHBondContact O-N 3.08Å
111K80.3Confident72Confident136 Ų136100.9 Ų100.959%0.59155%0.551SS**Hα-helixtrans-64.5-40.5179.1-174.9-177.8176-1750112.1L107 Q108 I114 M115L107-K111 WeakPolarHBondContact O-CB 3.26Å; L107-K111 PolarHBondContact O-N 3.47Å; L107-K111 VanDerWaalsContact O-N 3.11Å; Q108-K111 WeakPolarHBondContact O-CB 3.4Å; Q108-K111 PolarHBondContact O-N 3.41Å; Q108-K111 VanDerWaalsContact O-N 3.12Å; K111-I114 PolarHBondContact O-N 2.94Å; K111-M115 HydrophobicContact CD-CE 4.23Å; K111-M115 HydrophobicContact CG-CE 3.76Å; K111-M115 PolarHBondContact O-N 3.49Å
112E77.2Confident70.2Confident131 Ų131103.2 Ų103.261%0.61255%0.55SS**Hα-helixtrans-66.3-43.1174.9-72-175.2168.700112Q108 A109 I114 M115 Q116Q108-E112 PolarHBondContact O-N 3.41Å; A109-E112 PolarHBondContact O-N 2.99Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.28Å; E112-M115 PolarHBondContact O-N 2.97Å; E112-M115 VanDerWaalsContact O-N 3.1Å; E112-Q116 PolarHBondContact O-N 2.57Å
113H71.6Confident68.2Low121 Ų121109.2 Ų109.256%0.5656%0.561SS**Hα-helixtrans-61.4-36.2176.9-174.5-104.5000112.2A109 E110 Q116 N117A109-H113 WeakPolarHBondContact O-CB 3.4Å; A109-H113 PolarHBondContact O-N 2.96Å; E110-H113 PolarHBondContact O-N 3.23Å; H113-Q116 PolarHBondContact O-N 3Å; H113-N117 PolarHBondContact NE2-ND2 2.94Å; H113-N117 WeakPolarHBondContact O-CB 3.38Å; H113-N117 PolarHBondContact O-N 2.98Å; H113-N117 VanDerWaalsContact O-N 3.16Å
114I72.8Confident66.3Low119 Ų119115.5 Ų115.561%0.6159%0.593SS**Hα-helixtrans-66.6-39.8174.1-67.9163.5000111.6E110 K111 E112 G118E110-I114 WeakPolarHBondContact O-CD1 3.16Å; E110-I114 VanDerWaalsContact O-CG1 3.26Å; E110-I114 WeakPolarHBondContact O-CG1 3.43Å; E110-I114 PolarHBondContact O-N 3.08Å; K111-I114 PolarHBondContact O-N 2.94Å; E112-I114 VanDerWaalsContact C-N 3.28Å; E112-I114 PolarHBondContact O-N 3.28Å; I114-G118 PolarHBondContact O-N 3.45Å; I114-G118 VanDerWaalsContact O-N 3.09Å
115M67.7Low64.3Low125 Ų125115.2 Ų115.262%0.61661%0.605SS**Hα-helixtrans-68.5-33.3177.4-76.1-170-10500112.9K111 E112K111-M115 HydrophobicContact CD-CE 4.23Å; K111-M115 HydrophobicContact CG-CE 3.76Å; K111-M115 PolarHBondContact O-N 3.49Å; E112-M115 PolarHBondContact O-N 2.97Å; E112-M115 VanDerWaalsContact O-N 3.1Å
116Q57.6Low61.9Low174 Ų174121.4 Ų121.481%0.81364%0.639SS**Hα-helixtrans-78.9-24.9179.9-160.7145.918.700113.1E112 H113E112-Q116 PolarHBondContact O-N 2.57Å; H113-Q116 PolarHBondContact O-N 3Å
117N56.6Low59.6Low126 Ų126127.4 Ų127.467%0.67467%0.669SS**Hα-helixtrans-105.58.3179.1-86-16.1000115.3H113H113-N117 PolarHBondContact NE2-ND2 2.94Å; H113-N117 WeakPolarHBondContact O-CB 3.38Å; H113-N117 PolarHBondContact O-N 2.98Å; H113-N117 VanDerWaalsContact O-N 3.16Å
118G53.2Low57.4Low36 Ų36126.9 Ų126.937%0.37167%0.674SS.*  trans-139137.1177.700000113.6I114I114-G118 PolarHBondContact O-N 3.45Å; I114-G118 VanDerWaalsContact O-N 3.09Å
119T45Very low55.2Low129 Ų129128.3 Ų128.379%0.79169%0.689SS**  cis-173.2118.13.931.10000106.6A121T119-A121 VanDerWaalsContact C-N 3.28Å; T119-A121 PolarHBondContact O-N 3.25Å
120H45.4Very low53.3Low197 Ų197135.1 Ų135.191%0.91271%0.709SS**  trans-81.380.3159.5-169.2-65.3000107.7
121A41.1Very low51.2Low78 Ų78138.5 Ų138.565%0.64573%0.725SS**  trans-141.591.9170.200000108.5T119 E123T119-A121 VanDerWaalsContact C-N 3.28Å; T119-A121 PolarHBondContact O-N 3.25Å; A121-E123 PolarHBondContact O-N 3.49Å
122E47Very low49.1Very low182 Ų182139.5 Ų139.585%0.8574%0.737SS**  trans-57.4108.1156.9-71.3-111.5135.800108.3
123E40.8Very low46.8Very low189 Ų189136.7 Ų136.788%0.88374%0.743SS**  trans-150.9127144.9-67.9-155.9144.300109.8A121A121-E123 PolarHBondContact O-N 3.49Å
124N45.9Very low44.9Very low157 Ų157138.5 Ų138.584%0.8476%0.757SS**  trans-48.5153.4177.4-75.1-84.1000114
125P43.8Very low43Very low132 Ų132136.6 Ų136.686%0.85776%0.759SS**  trans-132.4106.1134.932.2-16.6000111.1
126D35.1Very low41.3Very low148 Ų148139.3 Ų139.379%0.79177%0.77SS**  trans-98149154.5-167.1-102.8000107.9
127D36.8Very low40.2Very low134 Ų134139.7 Ų139.772%0.71777%0.771SS**  trans103.891.6165.8-13834.4000118.7
128S40.1Very low39.1Very low90 Ų90137.5 Ų137.563%0.62978%0.779SS**  71.2121.1115.1-70.50000123.5
129V37.8Very low38.4Very low121 Ų121145 Ų14573%0.73380%0.804SS**  91.7101.9126179.80000119.5
130K41.5Very low37.9Very low193 Ų193148.3 Ų148.384%0.83981%0.811SS**  36126.2128.1-53.3-179.6179.7-179.50120.5
131H38.1Very low37.5Very low191 Ų191148.5 Ų148.588%0.88481%0.812SS**  -155.1135.8121.9-146.258.9000113.2
132N36Very low37Very low157 Ų157147.7 Ų147.784%0.8481%0.811SS**  trans-82.9160.4169.3-88.93.5000111
133G29.8Very low36.4Very low72 Ų72148.5 Ų148.574%0.74282%0.815SS**  trans146.596.8157.100000111.3
134D31Very low36.2Very low159 Ų159144.1 Ų144.185%0.8581%0.811SS**  88.9124.771.9-161.9-101.3000113.8
135A32.8Very low35.5Very low79 Ų79140 Ų14065%0.65381%0.806SS**  trans60.2146.4161.400000118.3
136Q32.7Very low34.9Very low181 Ų181140.2 Ų140.285%0.84680%0.8SS**  cis-167.6155.332.8-163.7172.8-83.300110.7
137E34.5Very low35.2Very low182 Ų182141 Ų14185%0.8580%0.799SS**  trans-47.1154168.7-63.5165.8158.200115.4
138G32.9Very low35.4Very low80 Ų80142.2 Ų142.283%0.82580%0.8SS**  trans-168.290.216500000110.4
139E37.6Very low35.3Very low194 Ų194145.8 Ų145.891%0.90781%0.807SS**  trans-68.6142.4162.8-59.7174.9153.300109.7
140E36Very low35Very low199 Ų199143.8 Ų143.893%0.9381%0.81SS**  trans-160.9127.2138.8-118.4-175.6177.300110.9
141E36.7Very low34.9Very low201 Ų201143.4 Ų143.494%0.93981%0.812SS**  trans-77.5162.6170.7-60.4-165.3149.400111.9
142G29.5Very low34.7Very low61 Ų61138.2 Ų138.263%0.62981%0.81SS**  trans152.9112.2145.600000118
143Q35.8Very low34.5Very low198 Ų198134.3 Ų134.393%0.92581%0.806SS**  trans70.6150.9144.4-83.5140.5-20.700119.8
144A35Very low34.8Very low97 Ų97142.4 Ų142.480%0.80281%0.814SS**  cis156.5146.5-14.700000104.9
145G31.6Very low35Very low72 Ų72139.4 Ų139.474%0.74281%0.812SS**  trans135.795166.200000112.9
146D32.6Very low35.1Very low135 Ų135142.5 Ų142.572%0.72282%0.818SS**  84.499.379.5-158.288000110.4
147E39.7Very low35.4Very low166 Ų166140.1 Ų140.178%0.77681%0.81SS**  73.1136.1102.5-67.4-167.7-177.800114.6
148E40.9Very low35.6Very low159 Ų159139.4 Ų139.474%0.74381%0.807SS**  trans159101.5134.1-80-76.8172.500110.2
149E39.1Very low36.3Very low165 Ų165139.4 Ų139.477%0.77180%0.8SS**  26143.4123-65.4-76.4154.300120.9
150G32.2Very low36.2Very low78 Ų78136.6 Ų136.680%0.80480%0.796SS**  trans-174.370.317000000113.4
151E39.2Very low36.7Very low186 Ų186136.1 Ų136.187%0.86979%0.793SS**  trans-54154.5166.7-64.1-172.4123.300113.8
152G33.4Very low36.6Very low82 Ų82133.9 Ų133.985%0.84579%0.787SS**  trans-179.282.7162.900000114
153G31.5Very low37.2Very low74 Ų74138.8 Ų138.876%0.76379%0.794SS**  trans-86.7166.5174.500000115.7
154R35.5Very low36.8Very low242 Ų242135.9 Ų135.991%0.91379%0.79SS**  trans155.2119.9145-91.5175.1167.3171.8-3.1108.9
155A36.3Very low37Very low96 Ų96136.5 Ų136.579%0.79379%0.788SS**  50.7120.285.200000111.1
156D33.9Very low37.1Very low145 Ų145145.3 Ų145.378%0.77580%0.799SS**  175.6133.158.9-174.5-133.9000105.1
157D39.9Very low37Very low130 Ų130142.2 Ų142.270%0.69580%0.799SS**  46.5115.9110.3-141.5-84.6000116.2
158E39.2Very low36.8Very low167 Ų167144.2 Ų144.278%0.7881%0.809SS**  -179.8123.6126.8-101.8-109.3106.800110.6
159A46.1Very low36.3Very low81 Ų81139.6 Ų139.667%0.66980%0.804SS**  trans-64142.5163.600000110.9
160T36.3Very low36.4Very low134 Ų134140.9 Ų140.982%0.82281%0.809SS**  trans-146111.1148.540.40000110.2
161E46.1Very low36.7Very low189 Ų189146.5 Ų146.588%0.88382%0.815SS**  trans-67.2145.9154.5-56.5-169.813300109.1
162L34.9Very low36.7Very low155 Ų155146.8 Ų146.881%0.81282%0.816SS**  170.6108.5124.3-166.472.9000110.8
163E42.4Very low37.2Very low164 Ų164151.8 Ų151.877%0.76682%0.818SS**  trans21.9128.1132.3-52.5-92.898.100118.9
164T27.9Very low37.3Very low137 Ų137153 Ų15384%0.8482%0.82SS**  -164.5103.8127.739.20000112.9
165S38.1Very low37.8Very low110 Ų110146 Ų14677%0.76981%0.814SS**  trans24.5114.6133.655.30000121.7
166R33.5Very low37.9Very low257 Ų257145.5 Ų145.597%0.9781%0.81SS**  trans-179.6133.6140.7-151.1144159.8167.2-8.6108.3
167G30Very low38.5Very low70 Ų70147.1 Ų147.172%0.72281%0.813SS**  cis171.2143.66.600000105.1
168E36.9Very low39Very low208 Ų208151 Ų15197%0.97283%0.827SS**  trans-64.1160.5-168.2-58.3160.7127.300115.5
169G30.7Very low39.5Very low62 Ų62145.8 Ų145.864%0.63982%0.818SS**  trans154.777.216400000111.8
170E40.8Very low39.7Very low191 Ų191147.9 Ų147.989%0.89382%0.823SS**  70.292.2106.9-72.4-174.1162.100114.4
171E37.4Very low40.7Very low197 Ų197146.3 Ų146.392%0.92181%0.809SS**  trans-141.5148.2154.6-54.3-96.4159.200107.8
172E39.4Very low41.3Very low192 Ų192144.8 Ų144.890%0.89780%0.802SS**  trans-66.1153.8-150.7-66.2179.5134.700118.6A174E172-A174 PolarHBondContact O-N 3.34Å
173E44Very low42.6Very low187 Ų187144.8 Ų144.887%0.87480%0.798SS**  trans-57116157.8-68.6-114158.500111.4
174A34.7Very low43.5Very low98 Ų98138.6 Ų138.681%0.8178%0.775SS**  trans-132.472.8150.400000108.4E172 A176E172-A174 PolarHBondContact O-N 3.34Å; A174-A176 PolarHBondContact O-N 3.4Å
175A45.1Very low45.2Very low96 Ų96138.2 Ų138.279%0.79376%0.763SS**  trans-70.1104.6160.700000108.3
176A39.6Very low46.5Very low85 Ų85138.9 Ų138.970%0.70275%0.754SS**  trans-147.7101.6163.400000109.6A174A174-A176 PolarHBondContact O-N 3.4Å
177E46.2Very low48.1Very low179 Ų179132.2 Ų132.284%0.83673%0.734SS**  trans63.770.7152.5-58.7-89.1149.800116.8
178E49.1Very low49.9Very low211 Ų211133.2 Ų133.299%0.98672%0.723SS**  trans-95.599.7145.1-71.8-157.4174.400107.5
179G51.5Low51.4Low59 Ų59126.7 Ų126.761%0.60869%0.693SS**  trans-174.931.6-171.900000115.1
180T49.3Very low53.5Low125 Ų125130 Ų13077%0.76769%0.692SS**SBendtrans-167.6121.7163.848.30000102.5
181D57.4Low55Low100 Ų100127 Ų12754%0.53568%0.677SS.*  175.940.973.3-145.619.6000110.2E183 A184 Q185D181-E183 PolarHBondContact O-N 3.32Å; D181-A184 HydrophobicContact CB-CB 4.18Å; D181-A184 PolarHBondContact O-N 2.83Å; D181-A184 WeakPolarHBondContact OD1-CB 3.47Å; D181-A184 WeakPolarHBondContact OD2-CB 3.25Å; D181-Q185 PolarHBondContact O-N 3.05Å
182E58.9Low56.7Low158 Ų158119 Ų11974%0.73864%0.64SS**Hα-helixtrans-54.1-39.6179.4-71.3-179.2159.900111.1A184 Q185 E186E182-A184 PolarHBondContact O-N 3.35Å; E182-Q185 PolarHBondContact O-N 3.48Å; E182-E186 WeakPolarHBondContact O-CG 3.05Å; E182-E186 PolarHBondContact O-N 3.27Å
183E61Low58.5Low155 Ų155113.9 Ų113.972%0.72462%0.616SS**Hα-helixtrans-66.9-31.4176.6-63.3-163.8161.200113.3D181 E187D181-E183 PolarHBondContact O-N 3.32Å; E183-E187 WeakPolarHBondContact O-CB 3.35Å; E183-E187 VanDerWaalsContact O-CG 3.25Å; E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 3.34Å
184A62.8Low60.1Low33 Ų33109.2 Ų109.227%0.27360%0.597SS.*Hα-helixtrans-82.8-26.7177.100000113.1D181 E182 D188D181-A184 HydrophobicContact CB-CB 4.18Å; D181-A184 PolarHBondContact O-N 2.83Å; D181-A184 WeakPolarHBondContact OD1-CB 3.47Å; D181-A184 WeakPolarHBondContact OD2-CB 3.25Å; E182-A184 PolarHBondContact O-N 3.35Å; A184-D188 WeakPolarHBondContact O-CB 3.39Å; A184-D188 PolarHBondContact O-N 2.91Å
185Q62.9Low62.3Low129 Ų129109 Ų10960%0.60358%0.58SS**Hα-helixtrans-65.8-45.1168.6-74.1-175.1-40.500110.3D181 E182 E187 D188 E189D181-Q185 PolarHBondContact O-N 3.05Å; E182-Q185 PolarHBondContact O-N 3.48Å; Q185-E187 PolarHBondContact O-N 2.94Å; Q185-D188 PolarHBondContact O-N 3.23Å; Q185-E189 WeakPolarHBondContact O-CG 3.03Å; Q185-E189 PolarHBondContact O-N 3.24Å
186E66.1Low64Low124 Ų124105.4 Ų105.458%0.57955%0.547SS*.Hα-helixtrans-62.6-39.5174.5-71.3-172.9-178.700112.2E182 E189 E190E182-E186 WeakPolarHBondContact O-CG 3.05Å; E182-E186 PolarHBondContact O-N 3.27Å; E186-E189 PolarHBondContact O-N 2.98Å; E186-E190 PolarHBondContact O-N 3.44Å
187E65.8Low66Low117 Ų117105.9 Ų105.955%0.54753%0.534SS..Hα-helixtrans-67.1-34176.4-78.5-178.7-173.800113.9E183 Q185 Q191E183-E187 WeakPolarHBondContact O-CB 3.35Å; E183-E187 VanDerWaalsContact O-CG 3.25Å; E183-E187 WeakPolarHBondContact O-CG 3.45Å; E183-E187 PolarHBondContact O-N 3.34Å; Q185-E187 PolarHBondContact O-N 2.94Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 PolarHBondContact O-NE2 2.68Å
188D68.3Low67.7Low91 Ų91102.8 Ų102.849%0.48752%0.52SS..Hα-helixtrans-71.8-40.8175.4-15972.9000110.2A184 Q185 Q191 E192A184-D188 WeakPolarHBondContact O-CB 3.39Å; A184-D188 PolarHBondContact O-N 2.91Å; Q185-D188 PolarHBondContact O-N 3.23Å; D188-Q191 PolarHBondContact O-N 2.67Å; D188-E192 WeakPolarHBondContact O-CB 3.42Å; D188-E192 WeakPolarHBondContact O-CG 3.42Å; D188-E192 PolarHBondContact O-N 2.76Å
189E68.8Low69.3Low72 Ų7293.4 Ų93.434%0.33648%0.477SS..Hα-helixtrans-61.7-46.8174.6-75179-169.200112.7Q185 E186 Q191 E192 E193Q185-E189 WeakPolarHBondContact O-CG 3.03Å; Q185-E189 PolarHBondContact O-N 3.24Å; E186-E189 PolarHBondContact O-N 2.98Å; E189-Q191 PolarHBondContact O-N 2.73Å; E189-E192 PolarHBondContact O-N 2.71Å; E189-E193 WeakPolarHBondContact O-CG 3.35Å; E189-E193 PolarHBondContact O-N 2.95Å
190E73.8Confident70.9Confident132 Ų13291.2 Ų91.262%0.61745%0.451SS*.Hα-helixtrans-62.3-42.2177.8-77.5-170.216900111.5E186 E193 D194E186-E190 PolarHBondContact O-N 3.44Å; E190-E193 PolarHBondContact O-N 3.39Å; E190-D194 WeakPolarHBondContact O-CB 3.44Å; E190-D194 PolarHBondContact O-N 3.39Å
191Q74.1Confident72.6Confident127 Ų12791.6 Ų91.659%0.59344%0.444SS*.Hα-helixtrans-63.8-41.2176-84.9172.659.600112.3E187 D188 E189 D194 E195E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 PolarHBondContact O-NE2 2.68Å; D188-Q191 PolarHBondContact O-N 2.67Å; E189-Q191 PolarHBondContact O-N 2.73Å; Q191-D194 PolarHBondContact O-N 2.88Å; Q191-E195 WeakPolarHBondContact O-CB 2.84Å; Q191-E195 PolarHBondContact O-N 3.32Å
192E72.6Confident73.8Confident30 Ų3092.5 Ų92.514%0.1445%0.445CS..Hα-helixtrans-67.3-36.5177.8-75.9-161.8143.100112.6R46 R50 D188 E189 L196R46-E192 IonicContact CZ-OE2 3.98Å; R46-E192 IonicContact NE-OE2 2.67Å; R46-E192 PolarHBondContact NE-OE2 3.4Å; R46-E192 IonicContact NH2-OE2 3.28Å; R46-E192 PolarHBondContact NH2-OE2 2.64Å; R50-E192 IonicContact NH1-OE1 2.76Å; R50-E192 PolarHBondContact NH1-OE1 3Å; R50-E192 IonicContact NH1-OE2 3.05Å; D188-E192 WeakPolarHBondContact O-CB 3.42Å; D188-E192 WeakPolarHBondContact O-CG 3.42Å; D188-E192 PolarHBondContact O-N 2.76Å; E189-E192 PolarHBondContact O-N 2.71Å; E192-L196 WeakPolarHBondContact O-CG 3.34Å; E192-L196 PolarHBondContact O-N 2.81Å
193E76.7Confident74.8Confident83 Ų8387 Ų8739%0.38842%0.419SS..Hα-helixtrans-68.6-41.2174.8-76-169.1174.300112R46 E189 E190 E195 L196 Q197R46-E193 IonicContact NH1-OE1 2.73Å; E189-E193 WeakPolarHBondContact O-CG 3.35Å; E189-E193 PolarHBondContact O-N 2.95Å; E190-E193 PolarHBondContact O-N 3.39Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E193-L196 PolarHBondContact O-N 2.96Å; E193-Q197 WeakPolarHBondContact O-CG 3.5Å; E193-Q197 PolarHBondContact O-N 3.05Å
194D78.3Confident75.9Confident90 Ų9083.1 Ų83.148%0.48140%0.401SS..Hα-helixtrans-64.4-38.1174.8-86.1-8.2000111.7E190 Q191 Q198E190-D194 WeakPolarHBondContact O-CB 3.44Å; E190-D194 PolarHBondContact O-N 3.39Å; Q191-D194 PolarHBondContact O-N 2.88Å; D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.26Å; D194-Q198 PolarHBondContact O-NE2 2.85Å
195E80.3Confident76.8Confident93 Ų9387.1 Ų87.144%0.43542%0.418SS..Hα-helixtrans-66.4-44.3174.8-167.1173.9-164.600110.4I63 Q191 E193 Q197 Q198 L199I63-E195 HydrophobicContact CD1-CG 3.76Å; I63-E195 WeakPolarHBondContact CD1-OE2 3.21Å; Q191-E195 WeakPolarHBondContact O-CB 2.84Å; Q191-E195 PolarHBondContact O-N 3.32Å; E193-E195 VanDerWaalsContact C-N 3.33Å; E195-Q197 PolarHBondContact O-N 2.85Å; E195-Q198 PolarHBondContact O-N 3.43Å; E195-L199 VanDerWaalsContact O-CG 3.25Å; E195-L199 WeakPolarHBondContact O-CG 3.21Å; E195-L199 PolarHBondContact O-N 3.02Å
196L80.2Confident77.6Confident20 Ų2084.4 Ų84.411%0.10541%0.41CS..Hα-helixtrans-57.3-51.6173.5-79169.4000111.3R50 I63 L65 E192 E193 Q198 L199 E200R50-L196 VanDerWaalsContact NH2-CG 3.31Å; I63-L196 HydrophobicContact CG2-CD2 3.69Å; L65-L196 HydrophobicContact CD2-CD2 3.7Å; E192-L196 WeakPolarHBondContact O-CG 3.34Å; E192-L196 PolarHBondContact O-N 2.81Å; E193-L196 PolarHBondContact O-N 2.96Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 2.99Å; L196-L199 WeakPolarHBondContact O-CA 3.38Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.35Å; L196-E200 VanDerWaalsContact O-CG 3.23Å; L196-E200 WeakPolarHBondContact O-CG 3.4Å; L196-E200 PolarHBondContact O-N 3.02Å
197Q81.2Confident78.2Confident95 Ų9582.1 Ų82.144%0.44440%0.399SS..Hα-helixtrans-56.5-43.5-179.9-77.4175.742.600112.4E193 E195 L199 E200 E201E193-Q197 WeakPolarHBondContact O-CG 3.5Å; E193-Q197 PolarHBondContact O-N 3.05Å; E195-Q197 PolarHBondContact O-N 2.85Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.35Å; Q197-E200 WeakPolarHBondContact O-CB 3.42Å; Q197-E200 PolarHBondContact O-N 3.16Å; Q197-E201 WeakPolarHBondContact O-CG 3.5Å; Q197-E201 PolarHBondContact O-N 3.32Å
198Q82.8Confident78.8Confident115 Ų11581.4 Ų81.454%0.53740%0.399SS..Hα-helixtrans-60.8-41.5175.5-79167.181.800111.9D194 E195 L196 E201 E202D194-Q198 WeakPolarHBondContact O-CG 3.23Å; D194-Q198 PolarHBondContact O-N 3.26Å; D194-Q198 PolarHBondContact O-NE2 2.85Å; E195-Q198 PolarHBondContact O-N 3.43Å; L196-Q198 VanDerWaalsContact C-N 3.3Å; L196-Q198 PolarHBondContact O-N 2.99Å; Q198-E201 PolarHBondContact O-N 2.94Å; Q198-E202 WeakPolarHBondContact O-CG 3.38Å; Q198-E202 PolarHBondContact O-N 3.3Å
199L83.7Confident79.2Confident14 Ų1483.2 Ų83.27%0.07340%0.404CS..Hα-helixtrans-68.6-36.7177.6-64.9179.8000112.5N61 I63 L65 E195 L196 Q197 E201 E202 E203N61-L199 HydrophobicContact CB-CD1 4.3Å; N61-L199 HydrophobicContact CB-CD2 3.9Å; N61-L199 VanDerWaalsContact ND2-CD1 3.35Å; N61-L199 WeakPolarHBondContact ND2-CD1 3.44Å; N61-L199 WeakPolarHBondContact ND2-CD2 3.34Å; I63-L199 HydrophobicContact CB-CD1 3.69Å; I63-L199 HydrophobicContact CD1-CD1 3.96Å; I63-L199 HydrophobicContact CG1-CD1 4.25Å; I63-L199 HydrophobicContact CG2-CD1 4.15Å; L65-L199 HydrophobicContact CD1-CB 4.27Å; L65-L199 HydrophobicContact CD2-CB 4.25Å; E195-L199 VanDerWaalsContact O-CG 3.25Å; E195-L199 WeakPolarHBondContact O-CG 3.21Å; E195-L199 PolarHBondContact O-N 3.02Å; L196-L199 WeakPolarHBondContact O-CA 3.38Å; L196-L199 WeakPolarHBondContact O-CB 3.46Å; L196-L199 PolarHBondContact O-N 3.35Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.35Å; L199-E201 VanDerWaalsContact C-N 3.29Å; L199-E201 PolarHBondContact O-N 3.04Å; L199-E202 PolarHBondContact O-N 3.03Å; L199-E203 PolarHBondContact O-N 3.15Å
200E84.3Confident79.6Confident13 Ų1386 Ų866%0.06142%0.417CS..Hα-helixtrans-62.4-37.9173.7-59.9-160.415600111.6S11 G12 S13 I16 L65 L196 Q197 E204S11-E200 WeakPolarHBondContact CB-OE1 3.41Å; S11-E200 PolarHBondContact OG-OE1 3.11Å; S11-E200 PolarHBondContact OG-OE2 3Å; G12-E200 WeakPolarHBondContact CA-OE2 3.45Å; G12-E200 PolarHBondContact N-OE2 3.1Å; S13-E200 PolarHBondContact N-OE2 3.41Å; I16-E200 HydrophobicContact CD1-CB 3.9Å; I16-E200 HydrophobicContact CD1-CG 3.41Å; I16-E200 VanDerWaalsContact CD1-CG 3.41Å; L65-E200 HydrophobicContact CD2-CG 4.46Å; L196-E200 VanDerWaalsContact O-CG 3.23Å; L196-E200 WeakPolarHBondContact O-CG 3.4Å; L196-E200 PolarHBondContact O-N 3.02Å; Q197-E200 WeakPolarHBondContact O-CB 3.42Å; Q197-E200 PolarHBondContact O-N 3.16Å; E200-E204 PolarHBondContact O-N 3.38Å
201E84Confident79.5Confident133 Ų13382 Ų8262%0.62141%0.411SS*.Hα-helixtrans-70.2-42.8175.4-71.7-179.2177.800112.2Q197 Q198 L199 E203 E204 D205Q197-E201 WeakPolarHBondContact O-CG 3.5Å; Q197-E201 PolarHBondContact O-N 3.32Å; Q198-E201 PolarHBondContact O-N 2.94Å; L199-E201 VanDerWaalsContact C-N 3.29Å; L199-E201 PolarHBondContact O-N 3.04Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 3.27Å; E201-E204 PolarHBondContact O-N 3.46Å; E201-D205 PolarHBondContact O-N 3.49Å
202E83.7Confident79.5Confident119 Ų11983.1 Ų83.156%0.55642%0.416SS*.Hα-helixtrans-61.2-40.8176.6-75.4-176.4170.700112Q198 L199 D205 T206Q198-E202 WeakPolarHBondContact O-CG 3.38Å; Q198-E202 PolarHBondContact O-N 3.3Å; L199-E202 PolarHBondContact O-N 3.03Å; E202-D205 PolarHBondContact O-N 3.3Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 3.29Å
203E80.6Confident79.3Confident42 Ų4289 Ų8920%0.19644%0.443CS..Hα-helixtrans-62.4-44.1176-167.3-169.6169.500111.1K19 L65 L199 E201 D205 T206 E207K19-E203 IonicContact NZ-OE1 2.71Å; K19-E203 PolarHBondContact NZ-OE1 3Å; L65-E203 WeakPolarHBondContact CD1-OE2 3.1Å; L199-E203 PolarHBondContact O-N 3.15Å; E201-E203 VanDerWaalsContact C-N 3.33Å; E201-E203 PolarHBondContact O-N 3.27Å; E203-D205 PolarHBondContact O-N 3.07Å; E203-T206 WeakPolarHBondContact CA-OG1 3.23Å; E203-T206 PolarHBondContact O-N 3.46Å; E203-T206 PolarHBondContact O-OG1 3.02Å; E203-E207 PolarHBondContact O-N 3.48Å
204E82.9Confident78.8Confident74 Ų7493.7 Ų93.735%0.34647%0.465SS..Hα-helixtrans-63.2-41.8178.8-169.9169.3154.400111.7E200 E201 T206 E207 L208E200-E204 PolarHBondContact O-N 3.38Å; E201-E204 PolarHBondContact O-N 3.46Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.46Å; E204-E207 PolarHBondContact O-N 3.39Å; E204-L208 HydrophobicContact CG-CD1 4.43Å; E204-L208 VanDerWaalsContact O-CG 3.27Å; E204-L208 WeakPolarHBondContact O-CG 3.49Å; E204-L208 PolarHBondContact O-N 2.7Å
205D81.3Confident78.2Confident117 Ų11793.6 Ų93.663%0.62648%0.477SS*.Hα-helixtrans-62.1-39.7175.1-96.6-8.4000111.9E201 E202 E203 Q209E201-D205 PolarHBondContact O-N 3.49Å; E202-D205 PolarHBondContact O-N 3.3Å; E203-D205 PolarHBondContact O-N 3.07Å; D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 3.21Å; D205-Q209 VanDerWaalsContact O-N 3.13Å
206T80.4Confident76.8Confident72 Ų72100.7 Ų100.744%0.44251%0.511SS..Hα-helixtrans-65.5-44.5176.150.30000112.7E202 E203 E204 L208 Q209 E210E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 PolarHBondContact O-OG1 3.29Å; E203-T206 WeakPolarHBondContact CA-OG1 3.23Å; E203-T206 PolarHBondContact O-N 3.46Å; E203-T206 PolarHBondContact O-OG1 3.02Å; E204-T206 VanDerWaalsContact C-N 3.33Å; E204-T206 PolarHBondContact O-N 3.46Å; T206-L208 VanDerWaalsContact C-N 3.33Å; T206-L208 PolarHBondContact O-N 3.08Å; T206-Q209 PolarHBondContact O-N 3Å; T206-E210 WeakPolarHBondContact O-CG 3.48Å; T206-E210 PolarHBondContact O-N 3.18Å
207E77.8Confident76.7Confident75 Ų75104.8 Ų104.835%0.3553%0.531SS..Hα-helixtrans-64.8-36.9178.6-70.6-164.7142.300112.2A15 K19 E203 E204 Q209 G211A15-E207 VanDerWaalsContact CB-OE2 3.23Å; A15-E207 WeakPolarHBondContact CB-OE2 3.27Å; K19-E207 WeakPolarHBondContact CE-OE1 3.33Å; K19-E207 IonicContact NZ-OE1 2.79Å; K19-E207 PolarHBondContact NZ-OE1 2.97Å; E203-E207 PolarHBondContact O-N 3.48Å; E204-E207 PolarHBondContact O-N 3.39Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; E207-G211 PolarHBondContact O-N 3.27Å
208L79Confident76.4Confident103 Ų103105.3 Ų105.354%0.53954%0.536SS..Hα-helixtrans-63-40.8174.7-73.3173000111.4E204 T206 G211 E212E204-L208 HydrophobicContact CG-CD1 4.43Å; E204-L208 VanDerWaalsContact O-CG 3.27Å; E204-L208 WeakPolarHBondContact O-CG 3.49Å; E204-L208 PolarHBondContact O-N 2.7Å; T206-L208 VanDerWaalsContact C-N 3.33Å; T206-L208 PolarHBondContact O-N 3.08Å; L208-G211 PolarHBondContact O-N 3.36Å; L208-E212 WeakPolarHBondContact O-CG 3.47Å; L208-E212 PolarHBondContact O-N 3.16Å; L208-E212 VanDerWaalsContact O-N 3.16Å
209Q75.9Confident76.1Confident129 Ų129104.7 Ų104.760%0.60354%0.535SS*.Hα-helixtrans-68.2-42.6-179.7-161163.450.900111.8D205 T206 E207 E212 E213D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 3.21Å; D205-Q209 VanDerWaalsContact O-N 3.13Å; T206-Q209 PolarHBondContact O-N 3Å; E207-Q209 VanDerWaalsContact C-N 3.31Å; Q209-E212 PolarHBondContact O-N 3.22Å; Q209-E213 PolarHBondContact O-N 3.49Å
210E77.1Confident75.6Confident131 Ų131110.1 Ų110.161%0.61256%0.563SS**Hα-helixtrans-64.7-40175.2-68.9-176.2166.400112.4T206 E212 E213 E214T206-E210 WeakPolarHBondContact O-CG 3.48Å; T206-E210 PolarHBondContact O-N 3.18Å; E210-E212 VanDerWaalsContact C-N 3.3Å; E210-E212 PolarHBondContact O-N 3.13Å; E210-E213 PolarHBondContact O-N 3.02Å; E210-E214 PolarHBondContact O-N 3.42Å; E210-E214 VanDerWaalsContact O-N 3.08Å
211G73.1Confident75.1Confident46 Ų46116.1 Ų116.147%0.47459%0.594SS.*Hα-helixtrans-66.1-28.4177.300000114.2E207 L208E207-G211 PolarHBondContact O-N 3.27Å; L208-G211 PolarHBondContact O-N 3.36Å
212E73.3Confident74.5Confident151 Ų151115 Ų11571%0.70659%0.592SS**Hα-helixtrans-75.3-37.6172.9-73.2-172.1152.400112.1L208 Q209 E210 A215L208-E212 WeakPolarHBondContact O-CG 3.47Å; L208-E212 PolarHBondContact O-N 3.16Å; L208-E212 VanDerWaalsContact O-N 3.16Å; Q209-E212 PolarHBondContact O-N 3.22Å; E210-E212 VanDerWaalsContact C-N 3.3Å; E210-E212 PolarHBondContact O-N 3.13Å; E212-A215 PolarHBondContact O-N 3.33Å
213E68.7Low73.8Confident153 Ų153114.7 Ų114.772%0.71560%0.595SS**Hα-helixtrans-68.9-36.1177.5-70.5-167171.600113Q209 E210 A215Q209-E213 PolarHBondContact O-N 3.49Å; E210-E213 PolarHBondContact O-N 3.02Å; E213-A215 PolarHBondContact O-N 3.33Å
214E67.1Low73.3Confident182 Ų182120.3 Ų120.385%0.8563%0.625SS**THydrogen-bonded Turntrans-69-17.7175.3-75.5-98.8140.600113.3E210E210-E214 PolarHBondContact O-N 3.42Å; E210-E214 VanDerWaalsContact O-N 3.08Å
215A64.6Low72.5Confident89 Ų89124.2 Ų124.274%0.73665%0.649SS**THydrogen-bonded Turntrans-95.1-8.4-176.400000114.7E212 E213E212-A215 PolarHBondContact O-N 3.33Å; E213-A215 PolarHBondContact O-N 3.33Å
216E51.8Low71.7Confident242 Ų242124.8 Ų124.8100%1.13165%0.651SS**  trans-92.70178.3-162.4-178.5145.100113.3

Retrieved 216 of 216 residues in 225.4 ms (Link to these results)

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