A0A087XWF8_POEFO Loading...

E2 ubiquitin-conjugating enzyme

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. Catalyzes 'Lys-11'-linked polyubiquitination. Acts as an essential factor of the anaphase promoting complex/cyclosome (APC/C), a cell cycle-regulated ubiquitin ligase that controls progression through mitosis. Acts by specifically elongating 'Lys-11'-linked polyubiquitin chains initiated by the E2 enzyme UBE2C/UBCH10 on APC/C substrates, enhancing the degradation of APC/C substrates by the proteasome and promoting mitotic exit. Also acts by elongating ubiquitin chains initiated by the E2 enzyme UBE2D1/UBCH5 in vitro; it is however unclear whether UBE2D1/UBCH5 acts as an E2 enzyme for the APC/C in vivo. Also involved in ubiquitination and subsequent degradation of VHL, resulting in an accumulation of HIF1A. In vitro able to promote polyubiquitination using all 7 ubiquitin Lys residues, except 'Lys-48'-linked polyubiquitination.

AlphaFold DB , UniProt , Accession A0A087XWF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 236 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
1M46.3Very low74.4Confident221 Ų22198.1 Ų98.1100%1.08952%0.524SS*.  0133.10-75.670.6165.700107.7
2N53.5Low75.9Confident160 Ų16090.5 Ų90.586%0.85648%0.483SS*.  trans-84114.9172.7-70.459000108
3S63.6Low77.2Confident48 Ų4885.8 Ų85.834%0.33646%0.458SS..  trans-63.3141.9175.2-178.30000110.6V5 D39S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 WeakPolarHBondContact OG-CG2 3.46Å; S3-V5 PolarHBondContact OG-N 2.91Å; S3-D39 WeakPolarHBondContact CA-OD2 3.48Å; S3-D39 VanDerWaalsContact CB-OD2 3.24Å; S3-D39 WeakPolarHBondContact CB-OD2 3.41Å; S3-D39 PolarHBondContact OG-OD1 3.07Å; S3-D39 PolarHBondContact OG-OD2 3.37Å
4N73.2Confident78.3Confident44 Ų4493.3 Ų93.324%0.23548%0.477CS..SBendtrans-88.16.1174.6-68.1-55.3000112.8E6 N7 T41N4-E6 PolarHBondContact O-N 3.04Å; N4-N7 HydrophobicContact CB-CB 4.48Å; N4-N7 WeakPolarHBondContact O-CA 3.48Å; N4-N7 WeakPolarHBondContact O-CB 3.37Å; N4-N7 PolarHBondContact O-N 2.77Å; N4-N7 PolarHBondContact OD1-ND2 2.83Å; N4-T41 HydrophobicContact CB-CG2 4.33Å; N4-T41 WeakPolarHBondContact CB-OG1 3.45Å; N4-T41 PolarHBondContact N-OG1 3.23Å
5V69.2Low79.3Confident47 Ų4794.5 Ų94.529%0.28548%0.484SS..G310 helixtrans-54.7-40.3179.8172.50000111.5S3 N7 L13 D39 T41S3-V5 VanDerWaalsContact C-N 3.27Å; S3-V5 WeakPolarHBondContact OG-CG2 3.46Å; S3-V5 PolarHBondContact OG-N 2.91Å; V5-N7 PolarHBondContact O-N 3.33Å; V5-L13 HydrophobicContact CG1-CD1 4.19Å; V5-L13 HydrophobicContact CG1-CD2 4.48Å; V5-D39 WeakPolarHBondContact CG2-OD1 3.24Å; V5-T41 HydrophobicContact CB-CG2 4.35Å; V5-T41 HydrophobicContact CG2-CG2 3.81Å
6E69.8Low80.3Confident186 Ų18688.8 Ų88.887%0.86946%0.455SS*.G310 helixtrans-70.4-16.7178.3-61.6-176.8162.200113.6N4N4-E6 PolarHBondContact O-N 3.04Å
7N80.4Confident81.1Confident87 Ų8792.2 Ų92.247%0.46546%0.462SS..G310 helixtrans-92.5-5.3-174.9-65.9-43.9000113.6N4 V5 K68N4-N7 HydrophobicContact CB-CB 4.48Å; N4-N7 WeakPolarHBondContact O-CA 3.48Å; N4-N7 WeakPolarHBondContact O-CB 3.37Å; N4-N7 PolarHBondContact O-N 2.77Å; N4-N7 PolarHBondContact OD1-ND2 2.83Å; V5-N7 PolarHBondContact O-N 3.33Å; N7-K68 HydrophobicContact CB-CB 3.99Å
8L88.1Confident81.8Confident9 Ų995.7 Ų95.75%0.04747%0.474CS..SBendtrans-109.5140.9-179.4-70.7-178.6000112.1V12 L13 T41 L66 G67 F70L8-V12 HydrophobicContact CD1-CG1 4.41Å; L8-V12 HydrophobicContact CD2-CG1 4.48Å; L8-L13 HydrophobicContact CB-CD2 3.8Å; L8-L13 HydrophobicContact CB-CG 3.95Å; L8-L13 HydrophobicContact CD1-CD2 4.02Å; L8-T41 HydrophobicContact CD1-CG2 3.72Å; L8-T41 HydrophobicContact CG-CG2 4.49Å; L8-L66 HydrophobicContact CD1-CB 4.13Å; L8-G67 WeakPolarHBondContact CD2-O 3.34Å; L8-F70 HydrophobicContact CD2-CB 4.17Å
9P90.7Very high82.6Confident55 Ų5593.1 Ų93.136%0.35746%0.46SS..  trans-57.7142.6175.3-24.133.2000112.1H11 V12 L13P9-H11 VanDerWaalsContact CB-CE1 3.49Å; P9-H11 WeakPolarHBondContact CB-CE1 3.41Å; P9-H11 WeakPolarHBondContact CB-ND1 3.48Å; P9-H11 PolarHBondContact O-N 3.48Å; P9-V12 HydrophobicContact CB-CB 4.48Å; P9-V12 HydrophobicContact CB-CG2 4.04Å; P9-V12 HydrophobicContact CG-CG2 4.06Å; P9-V12 WeakPolarHBondContact O-CA 3.36Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.01Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å
10P91.1Very high83.2Confident103 Ų10389 Ų8967%0.66944%0.44SS*.Hα-helixtrans-56.1-32.7-176.5-28.934.9000114.8R14P10-R14 PolarHBondContact O-N 3.06Å
11H92.1Very high83.7Confident119 Ų11987.2 Ų87.255%0.55144%0.437SS*.Hα-helixtrans-69.6-35.8176.475.1-87.2000112.1P9 R14 L15P9-H11 VanDerWaalsContact CB-CE1 3.49Å; P9-H11 WeakPolarHBondContact CB-CE1 3.41Å; P9-H11 WeakPolarHBondContact CB-ND1 3.48Å; P9-H11 PolarHBondContact O-N 3.48Å; H11-R14 PolarHBondContact O-N 3.38Å; H11-L15 WeakPolarHBondContact O-CG 3.43Å; H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å
12V93Very high86.1Confident7 Ų779.2 Ų79.24%0.04241%0.406CS..Hα-helixtrans-66.6-45.7175.5177.50000109.9L8 P9 R14 L15 V16 F70L8-V12 HydrophobicContact CD1-CG1 4.41Å; L8-V12 HydrophobicContact CD2-CG1 4.48Å; P9-V12 HydrophobicContact CB-CB 4.48Å; P9-V12 HydrophobicContact CB-CG2 4.04Å; P9-V12 HydrophobicContact CG-CG2 4.06Å; P9-V12 WeakPolarHBondContact O-CA 3.36Å; P9-V12 WeakPolarHBondContact O-CB 3.41Å; P9-V12 PolarHBondContact O-N 3.01Å; V12-R14 VanDerWaalsContact C-N 3.27Å; V12-R14 PolarHBondContact O-N 2.94Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 2.82Å; V12-V16 HydrophobicContact CG1-CG2 4.19Å; V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.37Å; V12-F70 HydrophobicContact CG1-CD1 3.76Å; V12-F70 HydrophobicContact CG1-CE1 4.09Å
13L92.8Very high88.1Confident30 Ų3071.7 Ų71.716%0.15737%0.365CS..Hα-helixtrans-56.2-41.9176.6-69.5173.3000112.1V5 L8 P9 V16 Y17 I40 T41V5-L13 HydrophobicContact CG1-CD1 4.19Å; V5-L13 HydrophobicContact CG1-CD2 4.48Å; L8-L13 HydrophobicContact CB-CD2 3.8Å; L8-L13 HydrophobicContact CB-CG 3.95Å; L8-L13 HydrophobicContact CD1-CD2 4.02Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å; L13-V16 PolarHBondContact O-N 3.17Å; L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 2.88Å; L13-I40 HydrophobicContact CB-CD1 4.08Å; L13-I40 HydrophobicContact CD2-CD1 3.83Å; L13-I40 HydrophobicContact CD2-CG1 4.12Å; L13-I40 WeakPolarHBondContact O-CD1 3.31Å; L13-T41 HydrophobicContact CD2-CG2 3.97Å
14R92.9Very high89.6Confident190 Ų19071.4 Ų71.472%0.71737%0.366SS*.Hα-helixtrans-65.2-38.7176.6-168.4179.3-61.3155.13112.6P10 H11 V12 K18P10-R14 PolarHBondContact O-N 3.06Å; H11-R14 PolarHBondContact O-N 3.38Å; V12-R14 VanDerWaalsContact C-N 3.27Å; V12-R14 PolarHBondContact O-N 2.94Å; R14-K18 WeakPolarHBondContact O-CB 3.28Å; R14-K18 PolarHBondContact O-N 3.4Å; R14-K18 VanDerWaalsContact O-N 3.11Å
15L93.4Very high90.7Very high112 Ų11273.4 Ų73.459%0.58639%0.389SS*.Hα-helixtrans-65.9-45.6175.4-70.1171.9000111.2H11 V12 K18 E19H11-L15 WeakPolarHBondContact O-CG 3.43Å; H11-L15 PolarHBondContact O-N 3.36Å; H11-L15 VanDerWaalsContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.45Å; V12-L15 PolarHBondContact O-N 2.82Å; L15-K18 PolarHBondContact O-N 3.31Å; L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 3.15Å
16V94.4Very high92Very high2 Ų276.2 Ų76.21%0.01240%0.402CS..Hα-helixtrans-60.2-47.8176.91720000110.6V12 L13 K18 E19 V20 I40 L66 F70 L109V12-V16 HydrophobicContact CG1-CG2 4.19Å; V12-V16 WeakPolarHBondContact O-CG2 3.45Å; V12-V16 PolarHBondContact O-N 3.37Å; L13-V16 PolarHBondContact O-N 3.17Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.11Å; V16-E19 PolarHBondContact O-N 2.72Å; V16-V20 HydrophobicContact CG1-CG2 4.12Å; V16-V20 WeakPolarHBondContact O-CB 3.22Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 3.26Å; V16-V20 PolarHBondContact O-N 3.07Å; V16-I40 HydrophobicContact CG1-CD1 4.45Å; V16-I40 WeakPolarHBondContact CG1-O 3.45Å; V16-L66 HydrophobicContact CB-CD2 4.42Å; V16-L66 HydrophobicContact CG1-CD2 3.9Å; V16-L66 HydrophobicContact CG2-CD2 3.56Å; V16-F70 HydrophobicContact CG2-CD1 4.26Å; V16-F70 HydrophobicContact CG2-CE1 3.59Å; V16-F70 HydrophobicContact CG2-CZ 4.4Å; V16-L109 HydrophobicContact CG1-CD1 4.41Å
17Y93.8Very high93.3Very high147 Ų14769.9 Ų69.958%0.57638%0.377SS*.Hα-helixtrans-55.7-50.3176.7-178.1-92.9000111.5L13 E19 V20 S21 I40L13-Y17 WeakPolarHBondContact O-CB 3.39Å; L13-Y17 PolarHBondContact O-N 2.88Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 3.34Å; Y17-V20 PolarHBondContact O-N 3.14Å; Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.44Å; Y17-S21 PolarHBondContact O-OG 3.29Å; Y17-S21 VanDerWaalsContact O-OG 3.06Å; Y17-I40 HydrophobicContact CD2-CG2 4.29Å
18K94.5Very high94.1Very high156 Ų15666.3 Ų66.368%0.67836%0.359SS*.Hα-helixtrans-59.5-42.4177.9-175-178.2176.9-175.90111.8R14 L15 V16 A22R14-K18 WeakPolarHBondContact O-CB 3.28Å; R14-K18 PolarHBondContact O-N 3.4Å; R14-K18 VanDerWaalsContact O-N 3.11Å; L15-K18 PolarHBondContact O-N 3.31Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.11Å; K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.98Å
19E95.6Very high94.5Very high46 Ų4673.9 Ų73.922%0.21539%0.394CS..Hα-helixtrans-67-45.8179.6-174.6175.1-158.200111.9L15 V16 Y17 A22 L23 G108 L109 R110L15-E19 WeakPolarHBondContact O-CB 3.45Å; L15-E19 PolarHBondContact O-N 3.15Å; V16-E19 PolarHBondContact O-N 2.72Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 3.34Å; E19-A22 PolarHBondContact O-N 2.98Å; E19-L23 HydrophobicContact CG-CD1 3.97Å; E19-L23 HydrophobicContact CG-CG 4.43Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.46Å; E19-L23 PolarHBondContact O-N 2.87Å; E19-G108 VanDerWaalsContact OE1-C 3.31Å; E19-G108 VanDerWaalsContact OE1-CA 3.26Å; E19-G108 WeakPolarHBondContact OE1-CA 3.24Å; E19-L109 HydrophobicContact CG-CB 4.45Å; E19-L109 PolarHBondContact OE1-N 2.89Å; E19-L109 WeakPolarHBondContact OE2-CG 3.45Å; E19-L109 PolarHBondContact OE2-N 3.4Å; E19-L109 VanDerWaalsContact OE2-N 3.15Å; E19-R110 PolarHBondContact OE1-N 2.86Å
20V95.4Very high94.8Very high10 Ų1071.9 Ų71.96%0.06138%0.383CS..Hα-helixtrans-62.7-43.9178.3170.90000110.8V16 Y17 A22 L23 A24 I33 P35 L43 L109V16-V20 HydrophobicContact CG1-CG2 4.12Å; V16-V20 WeakPolarHBondContact O-CB 3.22Å; V16-V20 VanDerWaalsContact O-CG2 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 3.26Å; V16-V20 PolarHBondContact O-N 3.07Å; Y17-V20 PolarHBondContact O-N 3.14Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.11Å; V20-L23 PolarHBondContact O-N 3.07Å; V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.42Å; V20-I33 HydrophobicContact CG1-CG2 4.45Å; V20-P35 HydrophobicContact CG1-CB 3.9Å; V20-P35 HydrophobicContact CG1-CG 4.06Å; V20-L43 HydrophobicContact CB-CD1 4.4Å; V20-L43 HydrophobicContact CG1-CD1 3.68Å; V20-L43 HydrophobicContact CG2-CD1 3.82Å; V20-L109 HydrophobicContact CG2-CD1 3.8Å
21S94.6Very high95.1Very high52 Ų5267.1 Ų67.136%0.36435%0.352SS..Hα-helixtrans-61.5-42.6174.7-60.20000112Y17 A24 A25Y17-S21 WeakPolarHBondContact O-CB 3.49Å; Y17-S21 PolarHBondContact O-N 3.44Å; Y17-S21 PolarHBondContact O-OG 3.29Å; Y17-S21 VanDerWaalsContact O-OG 3.06Å; S21-A24 PolarHBondContact O-N 3.19Å; S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.35Å
22A95.6Very high95.4Very high53 Ų5366.7 Ų66.744%0.43835%0.348SS..Hα-helixtrans-65.2-40.9177.200000112.1K18 E19 V20 A25 D26K18-A22 WeakPolarHBondContact O-CB 3.48Å; K18-A22 PolarHBondContact O-N 2.98Å; E19-A22 PolarHBondContact O-N 2.98Å; V20-A22 VanDerWaalsContact C-N 3.35Å; V20-A22 PolarHBondContact O-N 3.11Å; A22-A25 PolarHBondContact O-N 3.27Å; A22-D26 PolarHBondContact O-N 2.72Å
23L96.3Very high95.5Very high2 Ų267.2 Ų67.21%0.0135%0.351CS..Hα-helixtrans-67.2-34176.4-81.4170.6000112.8E19 V20 D26 P27 P28 I33 L109 R110 L113E19-L23 HydrophobicContact CG-CD1 3.97Å; E19-L23 HydrophobicContact CG-CG 4.43Å; E19-L23 WeakPolarHBondContact O-CB 3.37Å; E19-L23 WeakPolarHBondContact O-CG 3.46Å; E19-L23 PolarHBondContact O-N 2.87Å; V20-L23 PolarHBondContact O-N 3.07Å; L23-D26 CarbonylContact O-C 3.25Å; L23-P27 WeakPolarHBondContact O-CA 3.36Å; L23-P27 WeakPolarHBondContact O-CB 3.12Å; L23-P27 VanDerWaalsContact O-N 3.13Å; L23-P28 HydrophobicContact CD2-CG 4.34Å; L23-I33 HydrophobicContact CB-CD1 4.39Å; L23-I33 HydrophobicContact CB-CG1 3.99Å; L23-L109 HydrophobicContact CD1-CB 3.84Å; L23-R110 HydrophobicContact CD2-CB 3.86Å; L23-R110 HydrophobicContact CD2-CG 4.06Å; L23-L113 HydrophobicContact CD1-CD1 4.39Å
24A95.1Very high95.6Very high42 Ų4270.9 Ų70.935%0.34736%0.363SS..Hα-helixtrans-71.9-3517500000112.3V20 S21 I33 P35V20-A24 WeakPolarHBondContact O-CB 3.49Å; V20-A24 PolarHBondContact O-N 3.42Å; S21-A24 PolarHBondContact O-N 3.19Å; A24-I33 HydrophobicContact CB-CB 4.31Å; A24-I33 HydrophobicContact CB-CG2 4.45Å; A24-P35 HydrophobicContact CB-CG 3.61Å
25A96.4Very high95.4Very high86 Ų8665.2 Ų65.271%0.71135%0.351SS*.Hα-helixtrans-75.2-37.6177.200000113S21 A22S21-A25 WeakPolarHBondContact O-CB 3.31Å; S21-A25 PolarHBondContact O-N 3.35Å; A22-A25 PolarHBondContact O-N 3.27Å
26D96.8Very high95.1Very high107 Ų10761.8 Ų61.857%0.57234%0.337SS*.SBendtrans-133.875.2-179.8178.744.3000110.6A22 L23 R110A22-D26 PolarHBondContact O-N 2.72Å; L23-D26 CarbonylContact O-C 3.25Å; D26-R110 PolarHBondContact O-NH2 3.35Å; D26-R110 IonicContact OD2-NH2 3.78Å
27P96.5Very high94.5Very high53 Ų5371.3 Ų71.334%0.34438%0.381SS..PPolyproline II helixtrans-73.4147.8-176.929-34.2000111.8L23 I31L23-P27 WeakPolarHBondContact O-CA 3.36Å; L23-P27 WeakPolarHBondContact O-CB 3.12Å; L23-P27 VanDerWaalsContact O-N 3.13Å; P27-I31 VanDerWaalsContact CB-O 3.31Å; P27-I31 WeakPolarHBondContact CB-O 3.42Å
28P96.8Very high94.1Very high12 Ų1273.1 Ų73.18%0.07839%0.394CS..PPolyproline II helixtrans-57.1150.8167.9-17.328.1000111.7L23 G30 I31 R110 L114L23-P28 HydrophobicContact CD2-CG 4.34Å; P28-G30 PolarHBondContact O-N 3.21Å; P28-I31 HydrophobicContact CB-CB 4.28Å; P28-I31 HydrophobicContact CB-CD1 4.01Å; P28-I31 HydrophobicContact CB-CG1 4.24Å; P28-I31 HydrophobicContact CG-CB 4.49Å; P28-I31 HydrophobicContact CG-CD1 4.26Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 PolarHBondContact O-N 2.98Å; P28-R110 HydrophobicContact CG-CG 4.24Å; P28-L114 HydrophobicContact CB-CD2 3.95Å
29E96.3Very high93.8Very high168 Ų16866.9 Ų66.979%0.78537%0.369SS*.THydrogen-bonded Turntrans-52.7131.9178.4-175.8-174.6-175.700112.1I31 K117E29-I31 PolarHBondContact O-N 2.9Å; E29-K117 PolarHBondContact O-NZ 3.32Å
30G96.7Very high93.4Very high12 Ų1266.4 Ų66.412%0.12437%0.367CS..THydrogen-bonded Turntrans65.118.6-17900000113.8P28 I47 E48P28-G30 PolarHBondContact O-N 3.21Å; G30-I47 CarbonylContact O-C 3.45Å; G30-I47 WeakPolarHBondContact O-CA 3.48Å; G30-E48 WeakPolarHBondContact O-CB 3.42Å; G30-E48 PolarHBondContact O-N 3.41Å
31I98Very high93.2Very high4 Ų466 Ų662%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-122.9137.3173.8-54.6-171000108.2P27 P28 E29 I33 S46 I47 L113 K117P27-I31 VanDerWaalsContact CB-O 3.31Å; P27-I31 WeakPolarHBondContact CB-O 3.42Å; P28-I31 HydrophobicContact CB-CB 4.28Å; P28-I31 HydrophobicContact CB-CD1 4.01Å; P28-I31 HydrophobicContact CB-CG1 4.24Å; P28-I31 HydrophobicContact CG-CB 4.49Å; P28-I31 HydrophobicContact CG-CD1 4.26Å; P28-I31 WeakPolarHBondContact O-CB 3.41Å; P28-I31 PolarHBondContact O-N 2.98Å; E29-I31 PolarHBondContact O-N 2.9Å; I31-I33 HydrophobicContact CG2-CD1 4.03Å; I31-S46 CarbonylContact C-O 3.57Å; I31-S46 VanDerWaalsContact CA-O 3.31Å; I31-S46 WeakPolarHBondContact CA-O 3.48Å; I31-I47 HydrophobicContact CD1-CD1 4.48Å; I31-I47 HydrophobicContact CD1-CG1 4.37Å; I31-I47 HydrophobicContact CG1-CG1 4.2Å; I31-I47 HydrophobicContact CG1-CG2 4.48Å; I31-I47 HydrophobicContact CG2-CG1 4.36Å; I31-L113 HydrophobicContact CD1-CB 3.91Å; I31-L113 HydrophobicContact CG2-CD1 4.29Å; I31-K117 HydrophobicContact CD1-CB 4.46Å; I31-K117 HydrophobicContact CD1-CD 4.4Å; I31-K117 HydrophobicContact CG1-CD 4.47Å
32K97.3Very high93.2Very high109 Ų10965.5 Ų65.547%0.47436%0.356SS..EExtended strand (participates in β ladder)trans-122.6142.4171.9-60.3179.1-177.5170.60109.7Y34 T45 S46K32-Y34 HydrophobicContact CB-CE2 4.41Å; K32-T45 CarbonylContact O-C 3.53Å; K32-T45 WeakPolarHBondContact O-CA 3.43Å; K32-T45 VanDerWaalsContact O-CB 3.23Å; K32-T45 WeakPolarHBondContact O-CB 3.35Å; K32-S46 PolarHBondContact N-O 3.22Å; K32-S46 PolarHBondContact O-N 2.86Å
33I96.7Very high93.2Very high18 Ų1863.1 Ų63.19%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-110.7136.1-179.2-47.7-62.6000108.3V20 L23 A24 I31 P35 L43 T45 L113V20-I33 HydrophobicContact CG1-CG2 4.45Å; L23-I33 HydrophobicContact CB-CD1 4.39Å; L23-I33 HydrophobicContact CB-CG1 3.99Å; A24-I33 HydrophobicContact CB-CB 4.31Å; A24-I33 HydrophobicContact CB-CG2 4.45Å; I31-I33 HydrophobicContact CG2-CD1 4.03Å; I33-P35 HydrophobicContact CG2-CG 4.28Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å; I33-L43 HydrophobicContact CG2-CD1 3.63Å; I33-L43 HydrophobicContact CG2-CD2 4.46Å; I33-L43 HydrophobicContact CG2-CG 4.35Å; I33-T45 HydrophobicContact CD1-CG2 3.51Å; I33-L113 HydrophobicContact CD1-CD1 3.58Å
34Y94.9Very high93.2Very high108 Ų10866.2 Ų66.242%0.42435%0.351SS..EExtended strand (participates in β ladder)trans-118.786174.7-51.6-78000107.7K32 S36 H44 S46K32-Y34 HydrophobicContact CB-CE2 4.41Å; Y34-S36 PolarHBondContact O-N 3.29Å; Y34-H44 HydrophobicContact CD2-CB 4.42Å; Y34-H44 PolarHBondContact N-O 3.47Å; Y34-S46 PolarHBondContact OH-OG 3.45Å
35P88.4Confident93.3Very high70 Ų7064.3 Ų64.346%0.45534%0.335SS..  trans-58.8137.5178.3-22.634.4000110.8V20 A24 I33V20-P35 HydrophobicContact CG1-CB 3.9Å; V20-P35 HydrophobicContact CG1-CG 4.06Å; A24-P35 HydrophobicContact CB-CG 3.61Å; I33-P35 HydrophobicContact CG2-CG 4.28Å; I33-P35 WeakPolarHBondContact O-CD 3.49Å
36S86.9Confident93.4Very high41 Ų4160.4 Ų60.429%0.28730%0.302SS..  trans-97.2133.4169.4179.30000109.2Y34 E38 D39Y34-S36 PolarHBondContact O-N 3.29Å; S36-E38 PolarHBondContact OG-N 3.09Å; S36-D39 WeakPolarHBondContact CB-O 3.5Å; S36-D39 PolarHBondContact OG-N 3.41Å
37E81.2Confident93.5Very high201 Ų20155.3 Ų55.394%0.93928%0.275SS*.SBendtrans-80.5-24.1172.7-63.5-173.3-177.500112
38E85Confident93.6Very high185 Ų18556.7 Ų56.786%0.86428%0.277SS*.SBendtrans-86.5-40.8-176.1-62.6-179.1-177.600112.4S36S36-E38 PolarHBondContact OG-N 3.09Å
39D88.4Confident93.6Very high26 Ų2656.5 Ų56.514%0.13928%0.277CS..  trans-140.299.7-175.4-168.1-16.2000111.6S3 V5 S36 T41S3-D39 WeakPolarHBondContact CA-OD2 3.48Å; S3-D39 VanDerWaalsContact CB-OD2 3.24Å; S3-D39 WeakPolarHBondContact CB-OD2 3.41Å; S3-D39 PolarHBondContact OG-OD1 3.07Å; S3-D39 PolarHBondContact OG-OD2 3.37Å; V5-D39 WeakPolarHBondContact CG2-OD1 3.24Å; S36-D39 WeakPolarHBondContact CB-O 3.5Å; S36-D39 PolarHBondContact OG-N 3.41Å; D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 WeakPolarHBondContact OD1-CA 3.32Å; D39-T41 VanDerWaalsContact OD1-CB 3.3Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 PolarHBondContact OD1-N 3.36Å; D39-T41 PolarHBondContact OD1-OG1 3.42Å; D39-T41 PolarHBondContact OD2-OG1 3.05Å
40I88.3Confident93.7Very high35 Ų3549.1 Ų49.118%0.17924%0.244CC..THydrogen-bonded Turntrans-77-8.3177.165.9161.3000113.3L13 V16 Y17 E42L13-I40 HydrophobicContact CB-CD1 4.08Å; L13-I40 HydrophobicContact CD2-CD1 3.83Å; L13-I40 HydrophobicContact CD2-CG1 4.12Å; L13-I40 WeakPolarHBondContact O-CD1 3.31Å; V16-I40 HydrophobicContact CG1-CD1 4.45Å; V16-I40 WeakPolarHBondContact CG1-O 3.45Å; Y17-I40 HydrophobicContact CD2-CG2 4.29Å; I40-E42 VanDerWaalsContact C-N 3.3Å
41T91.5Very high93.7Very high1 Ų157.4 Ų57.41%0.00628%0.279CS..THydrogen-bonded Turntrans-85.9-4177.171.20000113.1N4 V5 L8 L13 D39 L66N4-T41 HydrophobicContact CB-CG2 4.33Å; N4-T41 WeakPolarHBondContact CB-OG1 3.45Å; N4-T41 PolarHBondContact N-OG1 3.23Å; V5-T41 HydrophobicContact CB-CG2 4.35Å; V5-T41 HydrophobicContact CG2-CG2 3.81Å; L8-T41 HydrophobicContact CD1-CG2 3.72Å; L8-T41 HydrophobicContact CG-CG2 4.49Å; L13-T41 HydrophobicContact CD2-CG2 3.97Å; D39-T41 PolarHBondContact O-N 3.41Å; D39-T41 WeakPolarHBondContact OD1-CA 3.32Å; D39-T41 VanDerWaalsContact OD1-CB 3.3Å; D39-T41 WeakPolarHBondContact OD1-CB 3.34Å; D39-T41 PolarHBondContact OD1-N 3.36Å; D39-T41 PolarHBondContact OD1-OG1 3.42Å; D39-T41 PolarHBondContact OD2-OG1 3.05Å; T41-L66 WeakPolarHBondContact O-CD1 3.45Å; T41-L66 PolarHBondContact O-N 2.85Å
42E94Very high93.7Very high42 Ų4260.9 Ų60.920%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-124.9106.5170.8-173.9164.6171.700110I40 H44 R63 L64 V65I40-E42 VanDerWaalsContact C-N 3.3Å; E42-H44 IonicContact OE1-CE1 3.83Å; E42-H44 IonicContact OE1-NE2 3.65Å; E42-R63 VanDerWaalsContact CD-NH1 3.32Å; E42-R63 WeakPolarHBondContact OE1-CD 3.31Å; E42-R63 IonicContact OE1-CZ 2.96Å; E42-R63 IonicContact OE1-NE 2.73Å; E42-R63 IonicContact OE1-NH1 3.28Å; E42-R63 PolarHBondContact OE1-NH1 3.23Å; E42-R63 IonicContact OE2-NH1 3.08Å; E42-R63 PolarHBondContact OE2-NH1 3.49Å; E42-L64 CarbonylContact C-O 3.5Å; E42-L64 WeakPolarHBondContact CA-O 3.3Å; E42-V65 HydrophobicContact CG-CG2 4.45Å
43L95.4Very high93.7Very high3 Ų356.1 Ų56.12%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-94.9117.2179.8-174.968.9000110.4V20 I33 T45 R63 L64 L109V20-L43 HydrophobicContact CB-CD1 4.4Å; V20-L43 HydrophobicContact CG1-CD1 3.68Å; V20-L43 HydrophobicContact CG2-CD1 3.82Å; I33-L43 HydrophobicContact CG2-CD1 3.63Å; I33-L43 HydrophobicContact CG2-CD2 4.46Å; I33-L43 HydrophobicContact CG2-CG 4.35Å; L43-T45 HydrophobicContact CD2-CG2 3.77Å; L43-T45 HydrophobicContact CG-CG2 3.81Å; L43-R63 CarbonylContact O-C 3.46Å; L43-R63 WeakPolarHBondContact O-CA 3.23Å; L43-L64 HydrophobicContact CB-CB 4.29Å; L43-L64 HydrophobicContact CD2-CD1 4.4Å; L43-L64 PolarHBondContact N-O 3.21Å; L43-L64 PolarHBondContact O-N 3.39Å; L43-L109 HydrophobicContact CD2-CD1 4.27Å
44H96.9Very high93.8Very high67 Ų6755.6 Ų55.631%0.3129%0.294SS..EExtended strand (participates in β ladder)trans-87.1135.2169.5-74.3117.2000111.2Y34 E42Y34-H44 HydrophobicContact CD2-CB 4.42Å; Y34-H44 PolarHBondContact N-O 3.47Å; E42-H44 IonicContact OE1-CE1 3.83Å; E42-H44 IonicContact OE1-NE2 3.65Å
45T97.7Very high94Very high3 Ų350.4 Ų50.42%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-143.7165.6178.963.70000111.3K32 I33 L43 R61 M62 L113K32-T45 CarbonylContact O-C 3.53Å; K32-T45 WeakPolarHBondContact O-CA 3.43Å; K32-T45 VanDerWaalsContact O-CB 3.23Å; K32-T45 WeakPolarHBondContact O-CB 3.35Å; I33-T45 HydrophobicContact CD1-CG2 3.51Å; L43-T45 HydrophobicContact CD2-CG2 3.77Å; L43-T45 HydrophobicContact CG-CG2 3.81Å; T45-R61 WeakPolarHBondContact O-CA 3.11Å; T45-M62 PolarHBondContact N-O 3.42Å; T45-M62 PolarHBondContact O-N 3.28Å; T45-M62 VanDerWaalsContact O-O 3.07Å; T45-M62 WeakPolarHBondContact OG1-CG 3.43Å; T45-L113 HydrophobicContact CG2-CD1 4.31Å; T45-L113 HydrophobicContact CG2-CD2 3.89Å
46S97.9Very high94.5Very high3 Ų349.1 Ų49.12%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-128.5144.616361.20000110.6I31 K32 Y34 F60I31-S46 CarbonylContact C-O 3.57Å; I31-S46 VanDerWaalsContact CA-O 3.31Å; I31-S46 WeakPolarHBondContact CA-O 3.48Å; K32-S46 PolarHBondContact N-O 3.22Å; K32-S46 PolarHBondContact O-N 2.86Å; Y34-S46 PolarHBondContact OH-OG 3.45Å; S46-F60 CarbonylContact C-O 3.58Å; S46-F60 VanDerWaalsContact CA-O 3.29Å; S46-F60 WeakPolarHBondContact CA-O 3.39Å
47I98.3Very high94.9Very high0 Ų049.8 Ų49.80%028%0.282CS..EExtended strand (participates in β ladder)trans-120.8127.7177.4-59.1-179.2000108.1G30 I31 F60 M62 I116 K117 L120G30-I47 CarbonylContact O-C 3.45Å; G30-I47 WeakPolarHBondContact O-CA 3.48Å; I31-I47 HydrophobicContact CD1-CD1 4.48Å; I31-I47 HydrophobicContact CD1-CG1 4.37Å; I31-I47 HydrophobicContact CG1-CG1 4.2Å; I31-I47 HydrophobicContact CG1-CG2 4.48Å; I31-I47 HydrophobicContact CG2-CG1 4.36Å; I47-F60 PolarHBondContact N-O 3.48Å; I47-F60 PolarHBondContact O-N 3.15Å; I47-M62 HydrophobicContact CD1-SD 3.63Å; I47-M62 HydrophobicContact CG1-SD 4.31Å; I47-I116 HydrophobicContact CD1-CB 4.28Å; I47-I116 HydrophobicContact CD1-CG2 3.85Å; I47-K117 HydrophobicContact CG2-CB 4.26Å; I47-K117 HydrophobicContact CG2-CG 4.13Å; I47-L120 HydrophobicContact CG2-CD1 4.16Å
48E98.3Very high95.7Very high83 Ų8340.2 Ų40.239%0.38824%0.237SC..EExtended strand (participates in β ladder)trans-71.3127.4169.6-61.9-177.2-179.100108.7G30 P50 I59G30-E48 WeakPolarHBondContact O-CB 3.42Å; G30-E48 PolarHBondContact O-N 3.41Å; E48-P50 WeakPolarHBondContact O-CD 3.09Å; E48-I59 HydrophobicContact CB-CD1 4.4Å; E48-I59 HydrophobicContact CG-CD1 3.63Å
49G98.3Very high96.4Very high8 Ų833.6 Ų33.68%0.08221%0.208CC..PPolyproline II helixtrans-59.1122.3176.400000110.3F55 G58G49-F55 WeakPolarHBondContact CA-O 3.37Å; G49-G58 PolarHBondContact N-O 3.13Å
50P98.4Very high96.8Very high13 Ų1332.4 Ų32.48%0.08420%0.201CC..PPolyproline II helixtrans-60.8144-175.6-24.634.4000112.5E48 T53 K117 L120 I121E48-P50 WeakPolarHBondContact O-CD 3.09Å; P50-T53 HydrophobicContact CB-CG2 3.94Å; P50-T53 WeakPolarHBondContact O-CB 3.2Å; P50-T53 PolarHBondContact O-N 3.16Å; P50-T53 PolarHBondContact O-OG1 2.99Å; P50-K117 HydrophobicContact CG-CG 4.07Å; P50-L120 HydrophobicContact CG-CB 4.17Å; P50-I121 HydrophobicContact CB-CD1 4.09Å; P50-I121 HydrophobicContact CB-CG1 3.73Å; P50-I121 HydrophobicContact CG-CD1 4.19Å; P50-I121 HydrophobicContact CG-CG1 3.71Å
51E96.9Very high97.3Very high186 Ų18636.1 Ų36.187%0.86921%0.213SC*.THydrogen-bonded Turntrans-59.5150.4173.7-63.2-169.8168.500111.6T53E51-T53 PolarHBondContact O-N 2.84Å
52G96.9Very high97.6Very high77 Ų7736 Ų3679%0.79421%0.212SC*.THydrogen-bonded Turntrans72.56.5-177.700000114.7
53T98.4Very high97.8Very high8 Ų837.2 Ų37.25%0.04922%0.215CC..SBendtrans-110.6161.3173.576.60000110.3P50 E51 F55 A56 I121P50-T53 HydrophobicContact CB-CG2 3.94Å; P50-T53 WeakPolarHBondContact O-CB 3.2Å; P50-T53 PolarHBondContact O-N 3.16Å; P50-T53 PolarHBondContact O-OG1 2.99Å; E51-T53 PolarHBondContact O-N 2.84Å; T53-F55 PolarHBondContact O-N 2.76Å; T53-F55 WeakPolarHBondContact OG1-CB 3.38Å; T53-F55 PolarHBondContact OG1-N 2.89Å; T53-A56 WeakPolarHBondContact O-CB 3.38Å; T53-A56 PolarHBondContact O-N 3.35Å; T53-A56 VanDerWaalsContact O-N 3.14Å; T53-I121 HydrophobicContact CG2-CB 4.41Å; T53-I121 HydrophobicContact CG2-CG1 4.25Å; T53-I121 HydrophobicContact CG2-CG2 4.46Å
54P98.4Very high97.8Very high7 Ų737.1 Ų37.15%0.04521%0.214CC..THydrogen-bonded Turntrans-61.7-9.3171.324.2-34.5000114.1Y144 E145 A148 R149 T152P54-Y144 HydrophobicContact CG-CE1 4.08Å; P54-E145 HydrophobicContact CB-CG 4.13Å; P54-A148 HydrophobicContact CB-CB 3.53Å; P54-A148 HydrophobicContact CG-CB 3.76Å; P54-R149 HydrophobicContact CB-CG 3.77Å; P54-R149 WeakPolarHBondContact O-CA 3.5Å; P54-R149 WeakPolarHBondContact O-CG 3.33Å; P54-T152 PolarHBondContact O-OG1 2.92Å
55F98.6Very high97.8Very high0 Ų034.9 Ų34.90%021%0.205CC..THydrogen-bonded Turntrans-92.7-7.8-179.4-49-62.3000112.9G49 T53 G57 G58 F60 I83 H85 L120 Y144 A148G49-F55 WeakPolarHBondContact CA-O 3.37Å; T53-F55 PolarHBondContact O-N 2.76Å; T53-F55 WeakPolarHBondContact OG1-CB 3.38Å; T53-F55 PolarHBondContact OG1-N 2.89Å; F55-G57 PolarHBondContact O-N 2.85Å; F55-G58 PolarHBondContact O-N 2.88Å; F55-F60 HydrophobicContact CB-CE2 3.71Å; F55-F60 HydrophobicContact CB-CZ 3.77Å; F55-F60 HydrophobicContact CD1-CE1 4.36Å; F55-F60 AromaticContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CG-CE2 4.49Å; F55-F60 HydrophobicContact CG-CZ 4.2Å; F55-I83 HydrophobicContact CD1-CD1 3.88Å; F55-I83 HydrophobicContact CD1-CG1 4.03Å; F55-I83 HydrophobicContact CE1-CD1 3.69Å; F55-I83 HydrophobicContact CE1-CG1 3.64Å; F55-I83 HydrophobicContact CZ-CD1 4.27Å; F55-I83 HydrophobicContact CZ-CG1 4.49Å; F55-H85 AromaticContact CE2-CD2 3.93Å; F55-H85 HydrophobicContact CZ-CB 4.39Å; F55-H85 AromaticContact CZ-CD2 3.66Å; F55-L120 HydrophobicContact CD2-CB 3.91Å; F55-L120 HydrophobicContact CD2-CD2 4.18Å; F55-L120 WeakPolarHBondContact CD2-O 3.25Å; F55-L120 HydrophobicContact CE2-CB 4.28Å; F55-L120 HydrophobicContact CE2-CD2 4.22Å; F55-L120 VanDerWaalsContact CE2-O 3.28Å; F55-L120 WeakPolarHBondContact CE2-O 3.49Å; F55-Y144 WeakPolarHBondContact CZ-OH 3.26Å; F55-A148 HydrophobicContact CE1-CB 4.04Å; F55-A148 HydrophobicContact CZ-CB 4.42Å
56A98.2Very high97.7Very high42 Ų4234.7 Ų34.735%0.34720%0.204SC..THydrogen-bonded Turntrans-51.4135-17400000112.6T53 G58T53-A56 WeakPolarHBondContact O-CB 3.38Å; T53-A56 PolarHBondContact O-N 3.35Å; T53-A56 VanDerWaalsContact O-N 3.14Å; A56-G58 PolarHBondContact O-N 2.84Å
57G96.6Very high97.5Very high56 Ų5636 Ų3658%0.57722%0.218SC*.THydrogen-bonded Turntrans82.5-16.8-17800000115.1F55F55-G57 PolarHBondContact O-N 2.85Å
58G97.9Very high97.2Very high0 Ų042.8 Ų42.80%025%0.247CC..  trans-78.1149.7177.700000113.8G49 F55 A56G49-G58 PolarHBondContact N-O 3.13Å; F55-G58 PolarHBondContact O-N 2.88Å; A56-G58 PolarHBondContact O-N 2.84Å
59I98.3Very high96.9Very high46 Ų4643.2 Ų43.224%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-108.9112.1169.9-53.1-60.5000109.6E48 A156E48-I59 HydrophobicContact CB-CD1 4.4Å; E48-I59 HydrophobicContact CG-CD1 3.63Å; I59-A156 PolarHBondContact N-O 3.26Å
60F98.5Very high96.7Very high0 Ų043.5 Ų43.50%025%0.251CS..EExtended strand (participates in β ladder)trans-99103.2-177.2-62.5-90.2000110.2S46 I47 F55 F79 T81 I83 T152 A156S46-F60 CarbonylContact C-O 3.58Å; S46-F60 VanDerWaalsContact CA-O 3.29Å; S46-F60 WeakPolarHBondContact CA-O 3.39Å; I47-F60 PolarHBondContact N-O 3.48Å; I47-F60 PolarHBondContact O-N 3.15Å; F55-F60 HydrophobicContact CB-CE2 3.71Å; F55-F60 HydrophobicContact CB-CZ 3.77Å; F55-F60 HydrophobicContact CD1-CE1 4.36Å; F55-F60 AromaticContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CD1-CZ 3.84Å; F55-F60 HydrophobicContact CG-CE2 4.49Å; F55-F60 HydrophobicContact CG-CZ 4.2Å; F60-F79 HydrophobicContact CB-CD1 3.93Å; F60-F79 HydrophobicContact CB-CE1 3.71Å; F60-F79 HydrophobicContact CG-CE1 4.38Å; F60-T81 HydrophobicContact CD1-CG2 3.98Å; F60-T81 HydrophobicContact CE1-CG2 4.45Å; F60-I83 HydrophobicContact CD1-CB 4.24Å; F60-I83 HydrophobicContact CD1-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CG1 4.2Å; F60-I83 HydrophobicContact CE1-CB 4.09Å; F60-I83 HydrophobicContact CE1-CD1 3.69Å; F60-I83 HydrophobicContact CE1-CG1 3.75Å; F60-I83 HydrophobicContact CZ-CD1 4.36Å; F60-T152 HydrophobicContact CE2-CG2 4.42Å; F60-T152 HydrophobicContact CZ-CG2 3.88Å; F60-A156 HydrophobicContact CD1-CB 4.2Å; F60-A156 HydrophobicContact CE1-CB 3.79Å; F60-A156 HydrophobicContact CE2-CB 4.11Å; F60-A156 HydrophobicContact CZ-CB 3.75Å
61R98.2Very high96.5Very high113 Ų11344.6 Ų44.643%0.42626%0.259SS..EExtended strand (participates in β ladder)trans-70.5137.5171.4-68.2-172.6-67.2-98.10.7109.2T45 L80 T81T45-R61 WeakPolarHBondContact O-CA 3.11Å; R61-L80 HydrophobicContact CB-CB 4.15Å; R61-L80 WeakPolarHBondContact O-CA 3.49Å; R61-L80 WeakPolarHBondContact O-CB 3.38Å; R61-L80 PolarHBondContact O-N 2.89Å; R61-T81 PolarHBondContact N-OG1 2.86Å; R61-T81 PolarHBondContact O-N 3.26Å; R61-T81 VanDerWaalsContact O-N 3.09Å
62M97.8Very high96.4Very high0 Ų039.6 Ų39.60%025%0.249CC..EExtended strand (participates in β ladder)trans-150168.4178.777167.7-53.600111.7T45 I47 L64 Y78 F79 I94 I116T45-M62 PolarHBondContact N-O 3.42Å; T45-M62 PolarHBondContact O-N 3.28Å; T45-M62 VanDerWaalsContact O-O 3.07Å; T45-M62 WeakPolarHBondContact OG1-CG 3.43Å; I47-M62 HydrophobicContact CD1-SD 3.63Å; I47-M62 HydrophobicContact CG1-SD 4.31Å; M62-L64 HydrophobicContact CE-CD2 3.86Å; M62-Y78 CarbonylContact C-O 3.46Å; M62-Y78 WeakPolarHBondContact CA-O 3.16Å; M62-Y78 VanDerWaalsContact CB-O 3.24Å; M62-Y78 WeakPolarHBondContact CB-O 3.33Å; M62-F79 HydrophobicContact CB-CD1 3.98Å; M62-F79 HydrophobicContact CB-CE1 4.39Å; M62-F79 HydrophobicContact SD-CE1 4.42Å; M62-I94 HydrophobicContact CE-CD1 3.35Å; M62-I116 HydrophobicContact CE-CD1 3.66Å; M62-I116 HydrophobicContact CE-CG2 4.29Å; M62-I116 HydrophobicContact SD-CD1 4.06Å; M62-I116 HydrophobicContact SD-CG2 3.99Å
63R97.1Very high96.3Very high67 Ų6738.7 Ų38.725%0.25323%0.228SC..EExtended strand (participates in β ladder)trans-133147.6173.461.8172.8-174.2140.67112.1E42 L43 G77 Y78 L80E42-R63 VanDerWaalsContact CD-NH1 3.32Å; E42-R63 WeakPolarHBondContact OE1-CD 3.31Å; E42-R63 IonicContact OE1-CZ 2.96Å; E42-R63 IonicContact OE1-NE 2.73Å; E42-R63 IonicContact OE1-NH1 3.28Å; E42-R63 PolarHBondContact OE1-NH1 3.23Å; E42-R63 IonicContact OE2-NH1 3.08Å; E42-R63 PolarHBondContact OE2-NH1 3.49Å; L43-R63 CarbonylContact O-C 3.46Å; L43-R63 WeakPolarHBondContact O-CA 3.23Å; R63-G77 WeakPolarHBondContact O-CA 3.38Å; R63-Y78 HydrophobicContact CG-CD2 4.35Å; R63-Y78 PolarHBondContact N-O 3.44Å; R63-Y78 PolarHBondContact O-N 3.42Å; R63-L80 HydrophobicContact CG-CD2 4.01Å; R63-L80 HydrophobicContact CG-CG 4.41Å
64L97.2Very high96.2Very high0 Ų038.8 Ų38.80%023%0.229CC..EExtended strand (participates in β ladder)trans-111.5128168.8-56.9-177.2000108.9E42 L43 M62 P75 K76 L109 V112 L113 I116E42-L64 CarbonylContact C-O 3.5Å; E42-L64 WeakPolarHBondContact CA-O 3.3Å; L43-L64 HydrophobicContact CB-CB 4.29Å; L43-L64 HydrophobicContact CD2-CD1 4.4Å; L43-L64 PolarHBondContact N-O 3.21Å; L43-L64 PolarHBondContact O-N 3.39Å; M62-L64 HydrophobicContact CE-CD2 3.86Å; L64-P75 HydrophobicContact CB-CB 4.27Å; L64-P75 HydrophobicContact CD1-CG 4.42Å; L64-K76 CarbonylContact C-O 3.54Å; L64-K76 WeakPolarHBondContact CA-O 3.41Å; L64-L109 HydrophobicContact CD1-CD2 4.11Å; L64-V112 HydrophobicContact CD1-CB 4.39Å; L64-V112 HydrophobicContact CD1-CG1 3.87Å; L64-V112 HydrophobicContact CD2-CG1 4.05Å; L64-L113 HydrophobicContact CD1-CD2 3.86Å; L64-L113 HydrophobicContact CD1-CG 4.16Å; L64-L113 HydrophobicContact CG-CD2 4.45Å; L64-I116 HydrophobicContact CD2-CD1 3.91Å
65V96.1Very high96.1Very high20 Ų2038.6 Ų38.612%0.12123%0.227CC..EExtended strand (participates in β ladder)trans-108.6115.7178.4-1770000108.8E42 G67 P75 K76 Y78E42-V65 HydrophobicContact CG-CG2 4.45Å; V65-G67 PolarHBondContact O-N 2.97Å; V65-P75 WeakPolarHBondContact O-CA 3.48Å; V65-P75 WeakPolarHBondContact O-CB 3.4Å; V65-K76 PolarHBondContact N-O 3.38Å; V65-K76 PolarHBondContact O-N 2.97Å; V65-Y78 HydrophobicContact CG2-CD2 4.19Å; V65-Y78 HydrophobicContact CG2-CE2 4.06Å
66L95.3Very high96Very high0 Ų044 Ų440%025%0.251CS..  trans-79.6110.6176.3-65.289.7000108.8L8 V16 T41 F70 P75L8-L66 HydrophobicContact CD1-CB 4.13Å; V16-L66 HydrophobicContact CB-CD2 4.42Å; V16-L66 HydrophobicContact CG1-CD2 3.9Å; V16-L66 HydrophobicContact CG2-CD2 3.56Å; T41-L66 WeakPolarHBondContact O-CD1 3.45Å; T41-L66 PolarHBondContact O-N 2.85Å; L66-F70 HydrophobicContact CB-CB 4.4Å; L66-F70 HydrophobicContact CB-CG 4.35Å; L66-F70 HydrophobicContact CD2-CD1 3.61Å; L66-F70 HydrophobicContact CD2-CD2 4.17Å; L66-F70 HydrophobicContact CD2-CE1 3.57Å; L66-F70 HydrophobicContact CD2-CE2 4.13Å; L66-F70 HydrophobicContact CD2-CG 3.91Å; L66-F70 HydrophobicContact CD2-CZ 3.83Å; L66-F70 HydrophobicContact CG-CD2 4.42Å; L66-F70 HydrophobicContact CG-CG 4.36Å; L66-P75 HydrophobicContact CG-CB 4.43Å
67G93.1Very high96Very high29 Ų2942.1 Ų42.130%0.29924%0.236SC..  trans-80.1166.3176.400000112.1L8 V65 D69 F70L8-G67 WeakPolarHBondContact CD2-O 3.34Å; V65-G67 PolarHBondContact O-N 2.97Å; G67-D69 PolarHBondContact O-N 3.38Å; G67-F70 VanDerWaalsContact O-CB 3.24Å; G67-F70 WeakPolarHBondContact O-CB 3.37Å; G67-F70 PolarHBondContact O-N 2.85Å
68K92Very high96.1Very high143 Ų14342.2 Ų42.262%0.62222%0.219SC*.THydrogen-bonded Turntrans-51.5-26.8179.469.1-179.8-174.5174.10115.5N7N7-K68 HydrophobicContact CB-CB 3.99Å
69D92.7Very high96.1Very high92 Ų9242.7 Ų42.749%0.49222%0.221SC..THydrogen-bonded Turntrans-935-177.8-52.7-55.4000112.5G67 A72 V73G67-D69 PolarHBondContact O-N 3.38Å; D69-A72 WeakPolarHBondContact O-CA 3.4Å; D69-A72 VanDerWaalsContact O-CB 3.32Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.39Å; D69-V73 HydrophobicContact CB-CB 4.1Å; D69-V73 HydrophobicContact CB-CG2 3.77Å; D69-V73 PolarHBondContact O-N 3.17Å
70F94.3Very high96.1Very high14 Ų1444.7 Ų44.76%0.06123%0.231CC..THydrogen-bonded Turntrans-70.9138174.3-179.9-86.3000110.4L8 V12 V16 L66 G67 W103 L109L8-F70 HydrophobicContact CD2-CB 4.17Å; V12-F70 HydrophobicContact CG1-CD1 3.76Å; V12-F70 HydrophobicContact CG1-CE1 4.09Å; V16-F70 HydrophobicContact CG2-CD1 4.26Å; V16-F70 HydrophobicContact CG2-CE1 3.59Å; V16-F70 HydrophobicContact CG2-CZ 4.4Å; L66-F70 HydrophobicContact CB-CB 4.4Å; L66-F70 HydrophobicContact CB-CG 4.35Å; L66-F70 HydrophobicContact CD2-CD1 3.61Å; L66-F70 HydrophobicContact CD2-CD2 4.17Å; L66-F70 HydrophobicContact CD2-CE1 3.57Å; L66-F70 HydrophobicContact CD2-CE2 4.13Å; L66-F70 HydrophobicContact CD2-CG 3.91Å; L66-F70 HydrophobicContact CD2-CZ 3.83Å; L66-F70 HydrophobicContact CG-CD2 4.42Å; L66-F70 HydrophobicContact CG-CG 4.36Å; G67-F70 VanDerWaalsContact O-CB 3.24Å; G67-F70 WeakPolarHBondContact O-CB 3.37Å; G67-F70 PolarHBondContact O-N 2.85Å; F70-W103 HydrophobicContact CE2-CH2 4.2Å; F70-W103 HydrophobicContact CE2-CZ2 4.05Å; F70-L109 HydrophobicContact CE2-CD2 4.47Å
71P94.8Very high96.1Very high37 Ų3744.9 Ų44.924%0.2423%0.233CC..THydrogen-bonded Turncis-92.45.56.335.9-36.5000115.5V73 W103 A105P71-V73 PolarHBondContact O-N 3.35Å; P71-W103 HydrophobicContact CB-CZ2 4.49Å; P71-W103 WeakPolarHBondContact O-CZ2 3.2Å; P71-W103 PolarHBondContact O-NE1 2.83Å; P71-A105 HydrophobicContact CB-CB 4.09Å; P71-A105 HydrophobicContact CG-CB 4.06Å; P71-A105 WeakPolarHBondContact O-CA 3.5Å
72A94.4Very high96.1Very high80 Ų8046.2 Ų46.266%0.66124%0.242SC*.THydrogen-bonded Turntrans-62.6-34.9178.700000111.9D69D69-A72 WeakPolarHBondContact O-CA 3.4Å; D69-A72 VanDerWaalsContact O-CB 3.32Å; D69-A72 WeakPolarHBondContact O-CB 3.16Å; D69-A72 PolarHBondContact O-N 3.39Å
73V94.6Very high96.1Very high58 Ų5847.2 Ų47.235%0.35225%0.247SC..SBendtrans-109.2140170.6-178.70000109D69 P71D69-V73 HydrophobicContact CB-CB 4.1Å; D69-V73 HydrophobicContact CB-CG2 3.77Å; D69-V73 PolarHBondContact O-N 3.17Å; P71-V73 PolarHBondContact O-N 3.35Å
74P96Very high96.2Very high11 Ų1145 Ų457%0.07124%0.239CC..PPolyproline II helixtrans-62.8157176.827.5-35.7000111.1L99 K100 W103P74-L99 HydrophobicContact CB-CB 4.22Å; P74-L99 HydrophobicContact CG-CB 4.2Å; P74-K100 HydrophobicContact CG-CG 3.75Å; P74-W103 HydrophobicContact CB-CD2 3.69Å; P74-W103 HydrophobicContact CB-CE3 4.05Å; P74-W103 HydrophobicContact CB-CG 3.92Å; P74-W103 HydrophobicContact CB-CZ2 4.45Å; P74-W103 VanDerWaalsContact CD-CD1 3.49Å; P74-W103 HydrophobicContact CG-CB 4.45Å; P74-W103 HydrophobicContact CG-CD2 4.42Å; P74-W103 HydrophobicContact CG-CG 4.12Å
75P96.4Very high96.2Very high2 Ų245 Ų451%0.01324%0.239CC..PPolyproline II helixtrans-63.8156.6173.231.4-36.7000110.7L64 V65 L66 L99 L109 V112L64-P75 HydrophobicContact CB-CB 4.27Å; L64-P75 HydrophobicContact CD1-CG 4.42Å; V65-P75 WeakPolarHBondContact O-CA 3.48Å; V65-P75 WeakPolarHBondContact O-CB 3.4Å; L66-P75 HydrophobicContact CG-CB 4.43Å; P75-L99 WeakPolarHBondContact O-CD1 3.28Å; P75-L109 HydrophobicContact CG-CD2 4.08Å; P75-V112 HydrophobicContact CG-CB 4.48Å; P75-V112 HydrophobicContact CG-CG1 4.06Å; P75-V112 HydrophobicContact CG-CG2 3.95Å
76K96.8Very high96.4Very high115 Ų11544 Ų4450%0.523%0.233SC..EExtended strand (participates in β ladder)trans-84128.2172-64-179.2-177.9177.10109.4L64 V65 Y78L64-K76 CarbonylContact C-O 3.54Å; L64-K76 WeakPolarHBondContact CA-O 3.41Å; V65-K76 PolarHBondContact N-O 3.38Å; V65-K76 PolarHBondContact O-N 2.97Å; K76-Y78 HydrophobicContact CB-CE2 3.67Å
77G97.8Very high96.5Very high2 Ų244 Ų442%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-99.5141.9177.200000112.9R63 I94R63-G77 WeakPolarHBondContact O-CA 3.38Å; G77-I94 PolarHBondContact O-N 3.09Å
78Y98.4Very high96.8Very high57 Ų5742.8 Ų42.822%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-138.6123.7175.1-58.6-95.2000110.9M62 R63 V65 K76 G92 E93M62-Y78 CarbonylContact C-O 3.46Å; M62-Y78 WeakPolarHBondContact CA-O 3.16Å; M62-Y78 VanDerWaalsContact CB-O 3.24Å; M62-Y78 WeakPolarHBondContact CB-O 3.33Å; R63-Y78 HydrophobicContact CG-CD2 4.35Å; R63-Y78 PolarHBondContact N-O 3.44Å; R63-Y78 PolarHBondContact O-N 3.42Å; V65-Y78 HydrophobicContact CG2-CD2 4.19Å; V65-Y78 HydrophobicContact CG2-CE2 4.06Å; K76-Y78 HydrophobicContact CB-CE2 3.67Å; Y78-G92 CarbonylContact C-O 3.56Å; Y78-G92 VanDerWaalsContact CA-O 3.25Å; Y78-G92 WeakPolarHBondContact CA-O 3.47Å; Y78-E93 HydrophobicContact CD1-CB 3.72Å; Y78-E93 HydrophobicContact CE1-CB 3.57Å
79F98.6Very high97.1Very high10 Ų1036.4 Ų36.44%0.04419%0.194CC..EExtended strand (participates in β ladder)trans-70.1128.8163.6-77.5-74.6000110.1F60 M62 I83 V88 G92 I94 I116 L120F60-F79 HydrophobicContact CB-CD1 3.93Å; F60-F79 HydrophobicContact CB-CE1 3.71Å; F60-F79 HydrophobicContact CG-CE1 4.38Å; M62-F79 HydrophobicContact CB-CD1 3.98Å; M62-F79 HydrophobicContact CB-CE1 4.39Å; M62-F79 HydrophobicContact SD-CE1 4.42Å; F79-I83 HydrophobicContact CB-CG2 4.15Å; F79-I83 HydrophobicContact CD2-CG2 3.99Å; F79-I83 HydrophobicContact CG-CG2 4.02Å; F79-I83 HydrophobicContact CZ-CD1 4.46Å; F79-V88 HydrophobicContact CD2-CB 4.5Å; F79-V88 HydrophobicContact CD2-CG1 4.01Å; F79-V88 HydrophobicContact CD2-CG2 3.6Å; F79-V88 HydrophobicContact CE2-CG2 3.71Å; F79-G92 PolarHBondContact N-O 2.9Å; F79-G92 WeakPolarHBondContact O-CA 3.49Å; F79-I94 HydrophobicContact CD2-CD1 3.83Å; F79-I94 HydrophobicContact CD2-CG1 3.8Å; F79-I94 HydrophobicContact CE2-CD1 3.63Å; F79-I94 HydrophobicContact CE2-CG1 3.87Å; F79-I94 HydrophobicContact CZ-CD1 4.36Å; F79-I116 HydrophobicContact CE2-CG2 4.29Å; F79-I116 HydrophobicContact CZ-CG2 3.81Å; F79-L120 HydrophobicContact CZ-CD2 4.05Å
80L98.1Very high97.2Very high88 Ų8840.2 Ų40.246%0.46121%0.209SC..SBendtrans-90.4-34.2171.5-57.3-179.9000110.4R61 R63R61-L80 HydrophobicContact CB-CB 4.15Å; R61-L80 WeakPolarHBondContact O-CA 3.49Å; R61-L80 WeakPolarHBondContact O-CB 3.38Å; R61-L80 PolarHBondContact O-N 2.89Å; R63-L80 HydrophobicContact CG-CD2 4.01Å; R63-L80 HydrophobicContact CG-CG 4.41Å
81T98.2Very high97.3Very high5 Ų548.3 Ų48.33%0.03124%0.244CC..SBendtrans-74.2129.4167.6-61.70000109.3F60 R61 I83 H155 A156F60-T81 HydrophobicContact CD1-CG2 3.98Å; F60-T81 HydrophobicContact CE1-CG2 4.45Å; R61-T81 PolarHBondContact N-OG1 2.86Å; R61-T81 PolarHBondContact O-N 3.26Å; R61-T81 VanDerWaalsContact O-N 3.09Å; T81-I83 PolarHBondContact O-N 2.96Å; T81-H155 HydrophobicContact CG2-CB 4.04Å; T81-H155 WeakPolarHBondContact CG2-O 3.33Å; T81-A156 HydrophobicContact CG2-CB 3.87Å
82K97.9Very high97.4Very high141 Ų14147 Ų4761%0.61324%0.237SC*.  trans-61136.9175.3-67.9-174-178.11790110.3H155K82-H155 HydrophobicContact CB-CB 4.28Å
83I98.6Very high97.6Very high20 Ų2046.1 Ų46.110%0.10322%0.219CC..  trans-145.2140.5-176.2-170.1176.2000110.6F55 F60 F79 T81 H85 V88 L120F55-I83 HydrophobicContact CD1-CD1 3.88Å; F55-I83 HydrophobicContact CD1-CG1 4.03Å; F55-I83 HydrophobicContact CE1-CD1 3.69Å; F55-I83 HydrophobicContact CE1-CG1 3.64Å; F55-I83 HydrophobicContact CZ-CD1 4.27Å; F55-I83 HydrophobicContact CZ-CG1 4.49Å; F60-I83 HydrophobicContact CD1-CB 4.24Å; F60-I83 HydrophobicContact CD1-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CG1 4.2Å; F60-I83 HydrophobicContact CE1-CB 4.09Å; F60-I83 HydrophobicContact CE1-CD1 3.69Å; F60-I83 HydrophobicContact CE1-CG1 3.75Å; F60-I83 HydrophobicContact CZ-CD1 4.36Å; F79-I83 HydrophobicContact CB-CG2 4.15Å; F79-I83 HydrophobicContact CD2-CG2 3.99Å; F79-I83 HydrophobicContact CG-CG2 4.02Å; F79-I83 HydrophobicContact CZ-CD1 4.46Å; T81-I83 PolarHBondContact O-N 2.96Å; I83-H85 HydrophobicContact CD1-CB 4.12Å; I83-H85 HydrophobicContact CG1-CB 4.06Å; I83-H85 HydrophobicContact CG2-CB 4.4Å; I83-V88 HydrophobicContact CG2-CB 4.06Å; I83-V88 HydrophobicContact CG2-CG1 3.73Å; I83-V88 HydrophobicContact CG2-CG2 4.06Å; I83-L120 HydrophobicContact CD1-CD2 3.64Å
84F98.6Very high97.8Very high20 Ų2043.6 Ų43.69%0.08820%0.204CC..  trans-96.694.5174.3-170.4-109.7000108.3E132 A133 L136 Y144 R147 A148 L151F84-E132 HydrophobicContact CZ-CG 4.36Å; F84-A133 HydrophobicContact CD1-CB 4.15Å; F84-A133 HydrophobicContact CD2-CB 4.36Å; F84-A133 HydrophobicContact CE1-CB 3.74Å; F84-A133 HydrophobicContact CE2-CB 3.96Å; F84-A133 HydrophobicContact CG-CB 4.44Å; F84-A133 HydrophobicContact CZ-CB 3.63Å; F84-L136 HydrophobicContact CE1-CD1 4.19Å; F84-L136 HydrophobicContact CZ-CD1 4.04Å; F84-Y144 HydrophobicContact CD1-CD2 4.16Å; F84-Y144 HydrophobicContact CD1-CE2 4.34Å; F84-Y144 AromaticContact CE1-CD2 4Å; F84-Y144 HydrophobicContact CE1-CD2 4Å; F84-R147 HydrophobicContact CD1-CB 3.8Å; F84-R147 HydrophobicContact CE1-CB 3.85Å; F84-R147 HydrophobicContact CG-CB 4.4Å; F84-A148 HydrophobicContact CB-CB 4.39Å; F84-A148 HydrophobicContact CD1-CB 4.28Å; F84-L151 HydrophobicContact CB-CB 4.38Å; F84-L151 HydrophobicContact CB-CD2 3.83Å
85H98.7Very high97.8Very high1 Ų143.4 Ų43.41%0.00520%0.203CC..  trans-144.5135.6-172.1-175-75.3000111F55 I83 N87 V88 L119F55-H85 AromaticContact CE2-CD2 3.93Å; F55-H85 HydrophobicContact CZ-CB 4.39Å; F55-H85 AromaticContact CZ-CD2 3.66Å; I83-H85 HydrophobicContact CD1-CB 4.12Å; I83-H85 HydrophobicContact CG1-CB 4.06Å; I83-H85 HydrophobicContact CG2-CB 4.4Å; H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact CE1-OD1 3.31Å; H85-N87 PolarHBondContact ND1-N 3.47Å; H85-N87 PolarHBondContact O-N 2.84Å; H85-V88 HydrophobicContact CB-CB 4.11Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.55Å; H85-V88 VanDerWaalsContact O-N 3.13Å; H85-L119 PolarHBondContact NE2-O 3.02Å; H85-L119 VanDerWaalsContact NE2-O 3.1Å
86P98.6Very high97.5Very high0 Ų046.1 Ų46.10%022%0.219CC..THydrogen-bonded Turntrans-53.2-46.3-177.1-27.433.6000113.7V88 P123 A128 L129 N130 A133 L137 Y144P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.78Å; P86-P123 HydrophobicContact CB-CB 4.37Å; P86-P123 HydrophobicContact CG-CB 3.79Å; P86-P123 HydrophobicContact CG-CG 4.5Å; P86-A128 HydrophobicContact CB-CB 4.18Å; P86-A128 CarbonylContact O-C 3.59Å; P86-A128 VanDerWaalsContact O-CA 3.22Å; P86-A128 WeakPolarHBondContact O-CA 3.36Å; P86-L129 PolarHBondContact O-N 3.33Å; P86-N130 PolarHBondContact O-N 2.68Å; P86-A133 HydrophobicContact CG-CB 4.19Å; P86-L137 HydrophobicContact CG-CB 4.42Å; P86-L137 HydrophobicContact CG-CD2 4.06Å; P86-Y144 HydrophobicContact CG-CE2 4.44Å
87N98.6Very high97.2Very high0 Ų045.9 Ų45.90%022%0.223CC..THydrogen-bonded Turntrans-86.911.9-176.2-53.2107000115.2H85 C95 V98 L119 N124 S127H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact CE1-OD1 3.31Å; H85-N87 PolarHBondContact ND1-N 3.47Å; H85-N87 PolarHBondContact O-N 2.84Å; N87-C95 HydrophobicContact CB-CB 4.11Å; N87-C95 PolarHBondContact O-N 3.44Å; N87-V98 HydrophobicContact CB-CG2 4.28Å; N87-L119 HydrophobicContact CB-CD2 3.8Å; N87-L119 HydrophobicContact CB-CG 4.43Å; N87-N124 PolarHBondContact ND2-O 3.48Å; N87-N124 PolarHBondContact OD1-N 2.97Å; N87-S127 PolarHBondContact ND2-O 3.3Å; N87-S127 PolarHBondContact ND2-OG 3.19Å
88V98.7Very high96.9Very high3 Ų346 Ų462%0.01822%0.224CC..BIsolated β-bridgetrans-116.8123.8179.4-177.20000108.9F79 I83 H85 P86 E93 I94 N130F79-V88 HydrophobicContact CD2-CB 4.5Å; F79-V88 HydrophobicContact CD2-CG1 4.01Å; F79-V88 HydrophobicContact CD2-CG2 3.6Å; F79-V88 HydrophobicContact CE2-CG2 3.71Å; I83-V88 HydrophobicContact CG2-CB 4.06Å; I83-V88 HydrophobicContact CG2-CG1 3.73Å; I83-V88 HydrophobicContact CG2-CG2 4.06Å; H85-V88 HydrophobicContact CB-CB 4.11Å; H85-V88 HydrophobicContact CB-CG2 3.82Å; H85-V88 PolarHBondContact O-N 2.55Å; H85-V88 VanDerWaalsContact O-N 3.13Å; P86-V88 VanDerWaalsContact C-N 3.3Å; P86-V88 PolarHBondContact O-N 2.78Å; V88-E93 CarbonylContact C-O 3.49Å; V88-E93 WeakPolarHBondContact CA-O 3.46Å; V88-I94 HydrophobicContact CG2-CG1 4.38Å; V88-N130 WeakPolarHBondContact O-CB 3.44Å
89G97.9Very high96.6Very high8 Ų843.7 Ų43.78%0.08222%0.215CC..  trans-78.7179.1177.800000112.9K91 G92 E93G89-K91 VanDerWaalsContact C-N 3.25Å; G89-K91 PolarHBondContact O-N 2.91Å; G89-G92 PolarHBondContact O-N 3.4Å; G89-E93 WeakPolarHBondContact CA-OE1 3.36Å; G89-E93 PolarHBondContact N-O 2.84Å
90H94.9Very high96.3Very high172 Ų17248.4 Ų48.480%0.79624%0.236SC*.THydrogen-bonded Turntrans-70.4-22.7-169.3-65.339.2000113G92H90-G92 VanDerWaalsContact C-N 3.32Å
91K95.9Very high95.8Very high185 Ų18551 Ų5180%0.80424%0.239SC*.THydrogen-bonded Turntrans-96.312.5175.5-54.5178.1179.9178.40111.7G89 E93G89-K91 VanDerWaalsContact C-N 3.25Å; G89-K91 PolarHBondContact O-N 2.91Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 VanDerWaalsContact C-OE2 3.25Å; K91-E93 VanDerWaalsContact CA-OE2 3.26Å; K91-E93 WeakPolarHBondContact CA-OE2 3.41Å; K91-E93 VanDerWaalsContact CB-OE2 3.25Å; K91-E93 WeakPolarHBondContact CB-OE2 3.35Å; K91-E93 PolarHBondContact N-OE2 3.33Å
92G97.8Very high95.3Very high9 Ų956.8 Ų56.89%0.09327%0.27CS..SBendtrans83.50.7-179.400000114.3Y78 F79 G89 H90 I94Y78-G92 CarbonylContact C-O 3.56Å; Y78-G92 VanDerWaalsContact CA-O 3.25Å; Y78-G92 WeakPolarHBondContact CA-O 3.47Å; F79-G92 PolarHBondContact N-O 2.9Å; F79-G92 WeakPolarHBondContact O-CA 3.49Å; G89-G92 PolarHBondContact O-N 3.4Å; H90-G92 VanDerWaalsContact C-N 3.32Å; G92-I94 PolarHBondContact O-N 3.24Å
93E98.1Very high95.1Very high61 Ų6151.6 Ų51.629%0.28525%0.247SC..BIsolated β-bridgetrans-61.7130.9179.270.6-77.7-167.100111.8Y78 V88 G89 K91 L129Y78-E93 HydrophobicContact CD1-CB 3.72Å; Y78-E93 HydrophobicContact CE1-CB 3.57Å; V88-E93 CarbonylContact C-O 3.49Å; V88-E93 WeakPolarHBondContact CA-O 3.46Å; G89-E93 WeakPolarHBondContact CA-OE1 3.36Å; G89-E93 PolarHBondContact N-O 2.84Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 VanDerWaalsContact C-OE2 3.25Å; K91-E93 VanDerWaalsContact CA-OE2 3.26Å; K91-E93 WeakPolarHBondContact CA-OE2 3.41Å; K91-E93 VanDerWaalsContact CB-OE2 3.25Å; K91-E93 WeakPolarHBondContact CB-OE2 3.35Å; K91-E93 PolarHBondContact N-OE2 3.33Å; E93-L129 HydrophobicContact CG-CD1 4.13Å
94I98.3Very high94.9Very high5 Ų556.7 Ų56.73%0.02627%0.268CS..BIsolated β-bridgetrans-87.9136.3177.5-62.6169.8000108.6M62 G77 F79 V88 G92 V96 L99 I116 L119M62-I94 HydrophobicContact CE-CD1 3.35Å; G77-I94 PolarHBondContact O-N 3.09Å; F79-I94 HydrophobicContact CD2-CD1 3.83Å; F79-I94 HydrophobicContact CD2-CG1 3.8Å; F79-I94 HydrophobicContact CE2-CD1 3.63Å; F79-I94 HydrophobicContact CE2-CG1 3.87Å; F79-I94 HydrophobicContact CZ-CD1 4.36Å; V88-I94 HydrophobicContact CG2-CG1 4.38Å; G92-I94 PolarHBondContact O-N 3.24Å; I94-V96 PolarHBondContact O-N 2.99Å; I94-V96 VanDerWaalsContact O-N 3.09Å; I94-L99 HydrophobicContact CG2-CD1 4.49Å; I94-L99 HydrophobicContact CG2-CG 4.39Å; I94-I116 HydrophobicContact CD1-CD1 4.16Å; I94-I116 HydrophobicContact CD1-CG1 4.11Å; I94-I116 HydrophobicContact CD1-CG2 4.03Å; I94-L119 HydrophobicContact CG2-CD2 4.24Å
95C96.2Very high94.6Very high8 Ų858 Ų585%0.05428%0.283CS..PPolyproline II helixtrans-52.9116.8179-1720000112.1N87 N97 V98 S127 L129N87-C95 HydrophobicContact CB-CB 4.11Å; N87-C95 PolarHBondContact O-N 3.44Å; C95-N97 PolarHBondContact O-N 2.99Å; C95-V98 HydrophobicContact CB-CG2 4.01Å; C95-V98 WeakPolarHBondContact O-CB 3.5Å; C95-V98 PolarHBondContact O-N 2.66Å; C95-S127 PolarHBondContact SG-O 3.2Å; C95-S127 VanDerWaalsContact SG-O 3.39Å; C95-L129 HydrophobicContact CB-CD1 3.91Å; C95-L129 HydrophobicContact CB-CG 3.95Å
96V90.8Very high94.3Very high59 Ų5965.9 Ų65.936%0.35832%0.32SS..Hα-helixtrans-62.7-29.1-177.7178.40000111.7I94 V98 L99 K100I94-V96 PolarHBondContact O-N 2.99Å; I94-V96 VanDerWaalsContact O-N 3.09Å; V96-V98 PolarHBondContact O-N 3.27Å; V96-L99 PolarHBondContact O-N 3.38Å; V96-K100 HydrophobicContact CG1-CD 3.73Å; V96-K100 VanDerWaalsContact CG1-CE 3.47Å; V96-K100 HydrophobicContact CG1-CG 3.85Å; V96-K100 WeakPolarHBondContact O-CB 3.39Å; V96-K100 WeakPolarHBondContact O-CG 3.29Å; V96-K100 PolarHBondContact O-N 2.83Å
97N91.4Very high94Very high109 Ų10968.8 Ų68.858%0.58334%0.335SS*.Hα-helixtrans-63.6-31.4177.1-68.4-8.7000112C95 R101C95-N97 PolarHBondContact O-N 2.99Å; N97-R101 WeakPolarHBondContact O-CB 3.24Å; N97-R101 PolarHBondContact O-N 2.85Å; N97-R101 VanDerWaalsContact O-N 3.16Å
98V90.6Very high93.8Very high5 Ų569.2 Ų69.23%0.0334%0.339CS..Hα-helixtrans-67.2-46174.6176.50000110.4N87 C95 V96 T115 L119N87-V98 HydrophobicContact CB-CG2 4.28Å; C95-V98 HydrophobicContact CB-CG2 4.01Å; C95-V98 WeakPolarHBondContact O-CB 3.5Å; C95-V98 PolarHBondContact O-N 2.66Å; V96-V98 PolarHBondContact O-N 3.27Å; V98-T115 HydrophobicContact CG1-CG2 4.4Å; V98-L119 HydrophobicContact CB-CD2 4.44Å; V98-L119 HydrophobicContact CG1-CD1 3.7Å; V98-L119 HydrophobicContact CG1-CD2 3.83Å; V98-L119 HydrophobicContact CG1-CG 4.29Å; V98-L119 HydrophobicContact CG2-CD1 4.17Å; V98-L119 HydrophobicContact CG2-CD2 4.37Å
99L91.9Very high93.7Very high8 Ų869 Ų694%0.04234%0.338CS..Hα-helixtrans-74.6-26.1-178.4-59.1-175.4000113.2P74 P75 I94 V96 V112 T115 I116P74-L99 HydrophobicContact CB-CB 4.22Å; P74-L99 HydrophobicContact CG-CB 4.2Å; P75-L99 WeakPolarHBondContact O-CD1 3.28Å; I94-L99 HydrophobicContact CG2-CD1 4.49Å; I94-L99 HydrophobicContact CG2-CG 4.39Å; V96-L99 PolarHBondContact O-N 3.38Å; L99-V112 HydrophobicContact CD2-CG1 4.23Å; L99-T115 HydrophobicContact CD2-CG2 4.4Å; L99-I116 HydrophobicContact CD2-CD1 4.34Å; L99-I116 HydrophobicContact CD2-CG1 3.89Å
100K92.1Very high93.6Very high110 Ų11072.5 Ų72.548%0.47835%0.349SS..Hα-helixtrans-79.2-26.3176.4-79.6-176.2175.2179.70113.1P74 V96 D102 W103P74-K100 HydrophobicContact CG-CG 3.75Å; V96-K100 HydrophobicContact CG1-CD 3.73Å; V96-K100 VanDerWaalsContact CG1-CE 3.47Å; V96-K100 HydrophobicContact CG1-CG 3.85Å; V96-K100 WeakPolarHBondContact O-CB 3.39Å; V96-K100 WeakPolarHBondContact O-CG 3.29Å; V96-K100 PolarHBondContact O-N 2.83Å; K100-D102 PolarHBondContact O-N 2.94Å; K100-D102 VanDerWaalsContact O-N 3.13Å; K100-W103 PolarHBondContact O-N 3.37Å; K100-W103 VanDerWaalsContact O-N 3.15Å
101R89.3Confident93.6Very high141 Ų14167.2 Ų67.253%0.53232%0.324SS..THydrogen-bonded Turntrans-62.9118.2-179.9-170.7171.765.9-171.40.6108.3N97 W103N97-R101 WeakPolarHBondContact O-CB 3.24Å; N97-R101 PolarHBondContact O-N 2.85Å; N97-R101 VanDerWaalsContact O-N 3.16Å; R101-W103 PolarHBondContact O-N 3.08Å
102D86.3Confident93.7Very high128 Ų12858.5 Ų58.568%0.68429%0.287SS*.THydrogen-bonded Turntrans6414.1-178.1-49.5-49.9000115.8K100 K104 L107K100-D102 PolarHBondContact O-N 2.94Å; K100-D102 VanDerWaalsContact O-N 3.13Å; D102-K104 PolarHBondContact O-N 2.87Å; D102-L107 VanDerWaalsContact O-CD1 3.28Å; D102-L107 WeakPolarHBondContact O-CD1 3.35Å
103W94.8Very high93.7Very high31 Ų3158 Ų5812%0.11728%0.282CS..  trans-64132.3174.3177.1-104000111.5F70 P71 P74 K100 R101 L107 V112F70-W103 HydrophobicContact CE2-CH2 4.2Å; F70-W103 HydrophobicContact CE2-CZ2 4.05Å; P71-W103 HydrophobicContact CB-CZ2 4.49Å; P71-W103 WeakPolarHBondContact O-CZ2 3.2Å; P71-W103 PolarHBondContact O-NE1 2.83Å; P74-W103 HydrophobicContact CB-CD2 3.69Å; P74-W103 HydrophobicContact CB-CE3 4.05Å; P74-W103 HydrophobicContact CB-CG 3.92Å; P74-W103 HydrophobicContact CB-CZ2 4.45Å; P74-W103 VanDerWaalsContact CD-CD1 3.49Å; P74-W103 HydrophobicContact CG-CB 4.45Å; P74-W103 HydrophobicContact CG-CD2 4.42Å; P74-W103 HydrophobicContact CG-CG 4.12Å; K100-W103 PolarHBondContact O-N 3.37Å; K100-W103 VanDerWaalsContact O-N 3.15Å; R101-W103 PolarHBondContact O-N 3.08Å; W103-L107 HydrophobicContact CE3-CB 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.44Å; W103-L107 HydrophobicContact CZ3-CB 4.02Å; W103-V112 HydrophobicContact CE3-CG2 4.16Å; W103-V112 HydrophobicContact CH2-CG2 4.04Å; W103-V112 HydrophobicContact CZ3-CG2 3.45Å; W103-V112 VanDerWaalsContact CZ3-CG2 3.45Å
104K94.3Very high93.6Very high127 Ų12758.6 Ų58.655%0.55229%0.287SS*.  trans-130.9146.3166.7-56.2178.2-178.4177.10108.3D102 E106 L107D102-K104 PolarHBondContact O-N 2.87Å; K104-E106 PolarHBondContact O-N 2.9Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CB-CG 4.09Å; K104-L107 HydrophobicContact CG-CD1 4.49Å; K104-L107 WeakPolarHBondContact O-CB 2.99Å; K104-L107 PolarHBondContact O-N 3.4Å
105A91.8Very high93.6Very high49 Ų4960 Ų6041%0.40530%0.296SS..THydrogen-bonded Turntrans-57.4-20.1-179.200000113.6P71P71-A105 HydrophobicContact CB-CB 4.09Å; P71-A105 HydrophobicContact CG-CB 4.06Å; P71-A105 WeakPolarHBondContact O-CA 3.5Å
106E93.4Very high93.7Very high165 Ų16559.6 Ų59.677%0.77129%0.293SS*.THydrogen-bonded Turntrans-81-15177.6-51.1109.1-148.200114.7K104K104-E106 PolarHBondContact O-N 2.9Å
107L91.5Very high94Very high61 Ų6158.7 Ų58.732%0.31928%0.284SS..SBendtrans-76-26.6-169.3-66.4175.3000114.1D102 W103 K104 H111D102-L107 VanDerWaalsContact O-CD1 3.28Å; D102-L107 WeakPolarHBondContact O-CD1 3.35Å; W103-L107 HydrophobicContact CE3-CB 4.3Å; W103-L107 HydrophobicContact CE3-CD1 4.44Å; W103-L107 HydrophobicContact CZ3-CB 4.02Å; K104-L107 HydrophobicContact CB-CD1 4.18Å; K104-L107 HydrophobicContact CB-CG 4.09Å; K104-L107 HydrophobicContact CG-CD1 4.49Å; K104-L107 WeakPolarHBondContact O-CB 2.99Å; K104-L107 PolarHBondContact O-N 3.4Å; L107-H111 HydrophobicContact CB-CB 3.73Å; L107-H111 VanDerWaalsContact O-CB 3.22Å; L107-H111 WeakPolarHBondContact O-CB 3.33Å
108G93.7Very high94.3Very high9 Ų956.9 Ų56.99%0.09328%0.279CS..Hα-helixtrans68.8-178.7175.400000115.6E19 H111 V112E19-G108 VanDerWaalsContact OE1-C 3.31Å; E19-G108 VanDerWaalsContact OE1-CA 3.26Å; E19-G108 WeakPolarHBondContact OE1-CA 3.24Å; G108-H111 PolarHBondContact O-N 2.88Å; G108-V112 PolarHBondContact O-N 2.76Å
109L96.1Very high94.6Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-67-32.2-180-63.1169.9000112.7V16 E19 V20 L23 L43 L64 F70 P75 H111 V112 L113V16-L109 HydrophobicContact CG1-CD1 4.41Å; E19-L109 HydrophobicContact CG-CB 4.45Å; E19-L109 PolarHBondContact OE1-N 2.89Å; E19-L109 WeakPolarHBondContact OE2-CG 3.45Å; E19-L109 PolarHBondContact OE2-N 3.4Å; E19-L109 VanDerWaalsContact OE2-N 3.15Å; V20-L109 HydrophobicContact CG2-CD1 3.8Å; L23-L109 HydrophobicContact CD1-CB 3.84Å; L43-L109 HydrophobicContact CD2-CD1 4.27Å; L64-L109 HydrophobicContact CD1-CD2 4.11Å; F70-L109 HydrophobicContact CE2-CD2 4.47Å; P75-L109 HydrophobicContact CG-CD2 4.08Å; L109-H111 VanDerWaalsContact C-N 3.3Å; L109-H111 PolarHBondContact O-N 2.81Å; L109-V112 PolarHBondContact O-N 3.23Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å
110R96.2Very high94.9Very high80 Ų8056.9 Ų56.930%0.30228%0.279SS..Hα-helixtrans-56.5-47.4175.8-174.5175-71.7-92.71111.2E19 L23 D26 P28 L113 L114E19-R110 PolarHBondContact OE1-N 2.86Å; L23-R110 HydrophobicContact CD2-CB 3.86Å; L23-R110 HydrophobicContact CD2-CG 4.06Å; D26-R110 PolarHBondContact O-NH2 3.35Å; D26-R110 IonicContact OD2-NH2 3.78Å; P28-R110 HydrophobicContact CG-CG 4.24Å; R110-L113 PolarHBondContact O-N 3.1Å; R110-L114 HydrophobicContact CG-CD1 4.21Å; R110-L114 WeakPolarHBondContact O-CG 3.35Å; R110-L114 PolarHBondContact O-N 2.75Å; R110-L114 VanDerWaalsContact O-N 3.09Å
111H96.3Very high95.2Very high61 Ų6155.1 Ų55.128%0.28227%0.274SS..Hα-helixtrans-62.4-43.9179.7176.178.3000111.3L107 G108 L109 L113 L114 T115L107-H111 HydrophobicContact CB-CB 3.73Å; L107-H111 VanDerWaalsContact O-CB 3.22Å; L107-H111 WeakPolarHBondContact O-CB 3.33Å; G108-H111 PolarHBondContact O-N 2.88Å; L109-H111 VanDerWaalsContact C-N 3.3Å; L109-H111 PolarHBondContact O-N 2.81Å; H111-L113 PolarHBondContact O-N 3.37Å; H111-L114 PolarHBondContact O-N 2.83Å; H111-T115 PolarHBondContact NE2-OG1 3.19Å; H111-T115 WeakPolarHBondContact O-CB 3.32Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.88Å; H111-T115 VanDerWaalsContact O-OG1 3.07Å
112V97Very high95.5Very high2 Ų255.3 Ų55.31%0.01228%0.281CS..Hα-helixtrans-57.4-48.6177.91760000111.3L64 P75 L99 W103 G108 L109 L114 T115 I116L64-V112 HydrophobicContact CD1-CB 4.39Å; L64-V112 HydrophobicContact CD1-CG1 3.87Å; L64-V112 HydrophobicContact CD2-CG1 4.05Å; P75-V112 HydrophobicContact CG-CB 4.48Å; P75-V112 HydrophobicContact CG-CG1 4.06Å; P75-V112 HydrophobicContact CG-CG2 3.95Å; L99-V112 HydrophobicContact CD2-CG1 4.23Å; W103-V112 HydrophobicContact CE3-CG2 4.16Å; W103-V112 HydrophobicContact CH2-CG2 4.04Å; W103-V112 HydrophobicContact CZ3-CG2 3.45Å; W103-V112 VanDerWaalsContact CZ3-CG2 3.45Å; G108-V112 PolarHBondContact O-N 2.76Å; L109-V112 PolarHBondContact O-N 3.23Å; V112-L114 PolarHBondContact O-N 2.98Å; V112-T115 PolarHBondContact O-N 3.09Å; V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.46Å; V112-I116 WeakPolarHBondContact O-CG1 3.49Å; V112-I116 PolarHBondContact O-N 3.25Å
113L97.7Very high96.1Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-62-41.9-179.7-68.2169.9000112.1L23 I31 I33 T45 L64 L109 R110 H111 I116 K117L23-L113 HydrophobicContact CD1-CD1 4.39Å; I31-L113 HydrophobicContact CD1-CB 3.91Å; I31-L113 HydrophobicContact CG2-CD1 4.29Å; I33-L113 HydrophobicContact CD1-CD1 3.58Å; T45-L113 HydrophobicContact CG2-CD1 4.31Å; T45-L113 HydrophobicContact CG2-CD2 3.89Å; L64-L113 HydrophobicContact CD1-CD2 3.86Å; L64-L113 HydrophobicContact CD1-CG 4.16Å; L64-L113 HydrophobicContact CG-CD2 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.48Å; R110-L113 PolarHBondContact O-N 3.1Å; H111-L113 PolarHBondContact O-N 3.37Å; L113-I116 PolarHBondContact O-N 3.21Å; L113-K117 PolarHBondContact O-N 3.17Å
114L97.2Very high96Very high72 Ų7250.1 Ų50.138%0.37726%0.257SS..Hα-helixtrans-65.9-41.4175-70.9175.9000112.1P28 R110 H111 V112 I116 K117 C118P28-L114 HydrophobicContact CB-CD2 3.95Å; R110-L114 HydrophobicContact CG-CD1 4.21Å; R110-L114 WeakPolarHBondContact O-CG 3.35Å; R110-L114 PolarHBondContact O-N 2.75Å; R110-L114 VanDerWaalsContact O-N 3.09Å; H111-L114 PolarHBondContact O-N 2.83Å; V112-L114 PolarHBondContact O-N 2.98Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.06Å; L114-K117 PolarHBondContact O-N 3.21Å; L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.04Å; L114-C118 PolarHBondContact O-SG 2.86Å; L114-C118 VanDerWaalsContact O-SG 3.32Å
115T97.1Very high95.9Very high35 Ų3546 Ų4622%0.21524%0.243CC..Hα-helixtrans-60.1-40.8175.6-67.20000111.3V98 L99 H111 V112 C118 L119V98-T115 HydrophobicContact CG1-CG2 4.4Å; L99-T115 HydrophobicContact CD2-CG2 4.4Å; H111-T115 PolarHBondContact NE2-OG1 3.19Å; H111-T115 WeakPolarHBondContact O-CB 3.32Å; H111-T115 PolarHBondContact O-N 2.92Å; H111-T115 PolarHBondContact O-OG1 2.88Å; H111-T115 VanDerWaalsContact O-OG1 3.07Å; V112-T115 PolarHBondContact O-N 3.09Å; T115-C118 PolarHBondContact O-N 2.85Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 PolarHBondContact O-N 2.65Å
116I97.9Very high95.9Very high0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-66.9-43.1175.3-65154.3000111.2I47 M62 L64 F79 I94 L99 V112 L113 L114 C118 L119 L120I47-I116 HydrophobicContact CD1-CB 4.28Å; I47-I116 HydrophobicContact CD1-CG2 3.85Å; M62-I116 HydrophobicContact CE-CD1 3.66Å; M62-I116 HydrophobicContact CE-CG2 4.29Å; M62-I116 HydrophobicContact SD-CD1 4.06Å; M62-I116 HydrophobicContact SD-CG2 3.99Å; L64-I116 HydrophobicContact CD2-CD1 3.91Å; F79-I116 HydrophobicContact CE2-CG2 4.29Å; F79-I116 HydrophobicContact CZ-CG2 3.81Å; I94-I116 HydrophobicContact CD1-CD1 4.16Å; I94-I116 HydrophobicContact CD1-CG1 4.11Å; I94-I116 HydrophobicContact CD1-CG2 4.03Å; L99-I116 HydrophobicContact CD2-CD1 4.34Å; L99-I116 HydrophobicContact CD2-CG1 3.89Å; V112-I116 HydrophobicContact CG1-CD1 3.76Å; V112-I116 WeakPolarHBondContact O-CD1 3.46Å; V112-I116 WeakPolarHBondContact O-CG1 3.49Å; V112-I116 PolarHBondContact O-N 3.25Å; L113-I116 PolarHBondContact O-N 3.21Å; L114-I116 VanDerWaalsContact C-N 3.3Å; L114-I116 PolarHBondContact O-N 3.06Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.33Å; I116-L119 VanDerWaalsContact O-CB 3.26Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 3.08Å; I116-L119 VanDerWaalsContact O-N 3.09Å; I116-L120 PolarHBondContact O-N 3.07Å
117K97.9Very high95.9Very high39 Ų3945.2 Ų45.217%0.1723%0.233CC..Hα-helixtrans-59.2-44174.8-172.4179.1-177.4-177.80111.3E29 I31 I47 P50 L113 L114 L119 L120E29-K117 PolarHBondContact O-NZ 3.32Å; I31-K117 HydrophobicContact CD1-CB 4.46Å; I31-K117 HydrophobicContact CD1-CD 4.4Å; I31-K117 HydrophobicContact CG1-CD 4.47Å; I47-K117 HydrophobicContact CG2-CB 4.26Å; I47-K117 HydrophobicContact CG2-CG 4.13Å; P50-K117 HydrophobicContact CG-CG 4.07Å; L113-K117 PolarHBondContact O-N 3.17Å; L114-K117 PolarHBondContact O-N 3.21Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.39Å; K117-L120 WeakPolarHBondContact O-CB 3.33Å; K117-L120 PolarHBondContact O-N 3.5Å
118C97.2Very high96.2Very high71 Ų7143.8 Ų43.848%0.4823%0.23SC..Hα-helixtrans-62.8-32.9175-71.20000112.6L114 T115 I116 L120 I121 H122L114-C118 WeakPolarHBondContact O-CB 3.33Å; L114-C118 PolarHBondContact O-N 3.04Å; L114-C118 PolarHBondContact O-SG 2.86Å; L114-C118 VanDerWaalsContact O-SG 3.32Å; T115-C118 PolarHBondContact O-N 2.85Å; I116-C118 VanDerWaalsContact C-N 3.32Å; I116-C118 PolarHBondContact O-N 3.33Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 3.06Å; C118-I121 WeakPolarHBondContact O-CB 3.22Å; C118-I121 PolarHBondContact O-N 3.35Å; C118-I121 VanDerWaalsContact O-N 3.08Å; C118-H122 PolarHBondContact O-N 3.26Å
119L97.1Very high96.4Very high9 Ų946.8 Ų46.85%0.04724%0.243CC..Hα-helixtrans-64.3-33.7177.1-164.665000112.2H85 N87 I94 V98 T115 I116 K117 I121 H122 P123H85-L119 PolarHBondContact NE2-O 3.02Å; H85-L119 VanDerWaalsContact NE2-O 3.1Å; N87-L119 HydrophobicContact CB-CD2 3.8Å; N87-L119 HydrophobicContact CB-CG 4.43Å; I94-L119 HydrophobicContact CG2-CD2 4.24Å; V98-L119 HydrophobicContact CB-CD2 4.44Å; V98-L119 HydrophobicContact CG1-CD1 3.7Å; V98-L119 HydrophobicContact CG1-CD2 3.83Å; V98-L119 HydrophobicContact CG1-CG 4.29Å; V98-L119 HydrophobicContact CG2-CD1 4.17Å; V98-L119 HydrophobicContact CG2-CD2 4.37Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 PolarHBondContact O-N 2.65Å; I116-L119 VanDerWaalsContact O-CB 3.26Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 3.08Å; I116-L119 VanDerWaalsContact O-N 3.09Å; K117-L119 VanDerWaalsContact C-N 3.26Å; K117-L119 PolarHBondContact O-N 3.39Å; L119-I121 PolarHBondContact O-N 3.14Å; L119-H122 CarbonylContact O-C 3.42Å; L119-H122 VanDerWaalsContact O-C 3.25Å; L119-H122 PolarHBondContact O-N 2.75Å; L119-P123 VanDerWaalsContact O-N 3.17Å
120L98.2Very high96.5Very high4 Ų447.8 Ų47.82%0.02125%0.249CC..Hα-helixtrans-65.4-26.2173.4-60.9-178.4000112.7I47 P50 F55 F79 I83 I116 K117 C118I47-L120 HydrophobicContact CG2-CD1 4.16Å; P50-L120 HydrophobicContact CG-CB 4.17Å; F55-L120 HydrophobicContact CD2-CB 3.91Å; F55-L120 HydrophobicContact CD2-CD2 4.18Å; F55-L120 WeakPolarHBondContact CD2-O 3.25Å; F55-L120 HydrophobicContact CE2-CB 4.28Å; F55-L120 HydrophobicContact CE2-CD2 4.22Å; F55-L120 VanDerWaalsContact CE2-O 3.28Å; F55-L120 WeakPolarHBondContact CE2-O 3.49Å; F79-L120 HydrophobicContact CZ-CD2 4.05Å; I83-L120 HydrophobicContact CD1-CD2 3.64Å; I116-L120 PolarHBondContact O-N 3.07Å; K117-L120 WeakPolarHBondContact O-CB 3.33Å; K117-L120 PolarHBondContact O-N 3.5Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-L120 PolarHBondContact O-N 3.06Å
121I98.1Very high96.5Very high74 Ų7451.8 Ų51.838%0.37927%0.271SS..Hα-helixtrans-85-42.3176.6-50.5174.5000110.2P50 T53 C118 L119P50-I121 HydrophobicContact CB-CD1 4.09Å; P50-I121 HydrophobicContact CB-CG1 3.73Å; P50-I121 HydrophobicContact CG-CD1 4.19Å; P50-I121 HydrophobicContact CG-CG1 3.71Å; T53-I121 HydrophobicContact CG2-CB 4.41Å; T53-I121 HydrophobicContact CG2-CG1 4.25Å; T53-I121 HydrophobicContact CG2-CG2 4.46Å; C118-I121 WeakPolarHBondContact O-CB 3.22Å; C118-I121 PolarHBondContact O-N 3.35Å; C118-I121 VanDerWaalsContact O-N 3.08Å; L119-I121 PolarHBondContact O-N 3.14Å
122H97Very high96.6Very high144 Ų14453.1 Ų53.167%0.66728%0.277SS*.SBendtrans-131.283.3-174.4-60.5-46.3000110.9C118 L119C118-H122 PolarHBondContact O-N 3.26Å; L119-H122 CarbonylContact O-C 3.42Å; L119-H122 VanDerWaalsContact O-C 3.25Å; L119-H122 PolarHBondContact O-N 2.75Å
123P97Very high96.7Very high25 Ų2553 Ų5316%0.16228%0.277CS..  trans-61.3150.9175.2-20.231.4000111.5P86 L119 P125 L137P86-P123 HydrophobicContact CB-CB 4.37Å; P86-P123 HydrophobicContact CG-CB 3.79Å; P86-P123 HydrophobicContact CG-CG 4.5Å; L119-P123 VanDerWaalsContact O-N 3.17Å; P123-P125 WeakPolarHBondContact O-CD 3.37Å; P123-L137 HydrophobicContact CB-CD2 3.87Å; P123-L137 HydrophobicContact CG-CD1 4.43Å; P123-L137 HydrophobicContact CG-CD2 4.32Å
124N94.5Very high96.7Very high25 Ų2553.2 Ų53.213%0.13428%0.279CS..  trans-105.398.2177.4-177.49.2000111.6N87 E126 S127N87-N124 PolarHBondContact ND2-O 3.48Å; N87-N124 PolarHBondContact OD1-N 2.97Å; N124-E126 PolarHBondContact O-N 3.09Å; N124-E126 PolarHBondContact OD1-N 3.13Å; N124-S127 PolarHBondContact ND2-OG 3.43Å; N124-S127 VanDerWaalsContact ND2-OG 3.07Å; N124-S127 PolarHBondContact O-N 2.79Å; N124-S127 PolarHBondContact O-OG 3.03Å
125P92.1Very high96.7Very high42 Ų4255.1 Ų55.127%0.27328%0.281SS..G310 helixtrans-64.2-25.5-17725.6-33.7000113.8P123 S127 A128 L137 L138P123-P125 WeakPolarHBondContact O-CD 3.37Å; P125-S127 PolarHBondContact O-N 2.78Å; P125-A128 PolarHBondContact O-N 3.26Å; P125-L137 HydrophobicContact CB-CD2 4.42Å; P125-L138 HydrophobicContact CB-CD1 3.88Å; P125-L138 HydrophobicContact CB-CD2 4.13Å; P125-L138 HydrophobicContact CB-CG 4Å; P125-L138 HydrophobicContact CG-CD1 4.45Å; P125-L138 HydrophobicContact CG-CD2 3.96Å; P125-L138 HydrophobicContact CG-CG 4.39Å
126E91.6Very high96.8Very high180 Ų18053.7 Ų53.784%0.84127%0.272SS*.G310 helixtrans-67.6-16.3179.5-60-175.9164.500113.4N124N124-E126 PolarHBondContact O-N 3.09Å; N124-E126 PolarHBondContact OD1-N 3.13Å
127S93.5Very high96.8Very high16 Ų1655.1 Ų55.111%0.11228%0.279CS..G310 helixtrans-127.234.2-179.2620000111.7N87 C95 N124 P125 L129N87-S127 PolarHBondContact ND2-O 3.3Å; N87-S127 PolarHBondContact ND2-OG 3.19Å; C95-S127 PolarHBondContact SG-O 3.2Å; C95-S127 VanDerWaalsContact SG-O 3.39Å; N124-S127 PolarHBondContact ND2-OG 3.43Å; N124-S127 VanDerWaalsContact ND2-OG 3.07Å; N124-S127 PolarHBondContact O-N 2.79Å; N124-S127 PolarHBondContact O-OG 3.03Å; P125-S127 PolarHBondContact O-N 2.78Å; S127-L129 PolarHBondContact O-N 3.13Å
128A96.6Very high96.8Very high32 Ų3259.2 Ų59.226%0.26430%0.302SS..  trans-64.1125.6178.100000110.9P86 P125P86-A128 HydrophobicContact CB-CB 4.18Å; P86-A128 CarbonylContact O-C 3.59Å; P86-A128 VanDerWaalsContact O-CA 3.22Å; P86-A128 WeakPolarHBondContact O-CA 3.36Å; P125-A128 PolarHBondContact O-N 3.26Å
129L97.8Very high96.8Very high71 Ų7162.2 Ų62.237%0.37231%0.309SS..SBendtrans-91.8-27.9166.6-63-177.2000111.3P86 E93 C95 S127P86-L129 PolarHBondContact O-N 3.33Å; E93-L129 HydrophobicContact CG-CD1 4.13Å; C95-L129 HydrophobicContact CB-CD1 3.91Å; C95-L129 HydrophobicContact CB-CG 3.95Å; S127-L129 PolarHBondContact O-N 3.13Å
130N98.1Very high96.9Very high22 Ų2265.4 Ų65.412%0.11833%0.326CS..SBendtrans-100.395168.3-176.9-22.3000108.1P86 V88 E132 A133 G134P86-N130 PolarHBondContact O-N 2.68Å; V88-N130 WeakPolarHBondContact O-CB 3.44Å; N130-E132 VanDerWaalsContact C-N 3.26Å; N130-E132 PolarHBondContact O-N 3.43Å; N130-E132 PolarHBondContact OD1-N 2.92Å; N130-A133 HydrophobicContact CB-CB 4Å; N130-A133 PolarHBondContact O-N 2.75Å; N130-A133 PolarHBondContact OD1-N 3.36Å; N130-G134 PolarHBondContact O-N 2.84Å
131E97.6Very high96.9Very high164 Ų16470.5 Ų70.577%0.76635%0.346SS*.Hα-helixtrans-59.8-37-177.6-64.5-179.2179.400112.1G134 R135E131-G134 PolarHBondContact O-N 3.36Å; E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 3.03Å
132E97.9Very high96.9Very high89 Ų8970 Ų7042%0.41635%0.354SS..Hα-helixtrans-66.1-48.7178.2-176178.9-148.600111.4F84 N130 G134 R135 L136 R147F84-E132 HydrophobicContact CZ-CG 4.36Å; N130-E132 VanDerWaalsContact C-N 3.26Å; N130-E132 PolarHBondContact O-N 3.43Å; N130-E132 PolarHBondContact OD1-N 2.92Å; E132-G134 VanDerWaalsContact C-N 3.29Å; E132-G134 PolarHBondContact O-N 3.39Å; E132-R135 PolarHBondContact O-N 3.05Å; E132-L136 HydrophobicContact CG-CD1 4.16Å; E132-L136 WeakPolarHBondContact O-CB 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.23Å; E132-R147 IonicContact OE1-CZ 3.71Å; E132-R147 IonicContact OE1-NH1 3.27Å; E132-R147 PolarHBondContact OE1-NH1 3.38Å; E132-R147 IonicContact OE2-NH1 2.65Å
133A98.2Very high97Very high0 Ų066.4 Ų66.40%034%0.337CS..Hα-helixtrans-61.7-39.6176.100000111.4F84 P86 N130 L137F84-A133 HydrophobicContact CD1-CB 4.15Å; F84-A133 HydrophobicContact CD2-CB 4.36Å; F84-A133 HydrophobicContact CE1-CB 3.74Å; F84-A133 HydrophobicContact CE2-CB 3.96Å; F84-A133 HydrophobicContact CG-CB 4.44Å; F84-A133 HydrophobicContact CZ-CB 3.63Å; P86-A133 HydrophobicContact CG-CB 4.19Å; N130-A133 HydrophobicContact CB-CB 4Å; N130-A133 PolarHBondContact O-N 2.75Å; N130-A133 PolarHBondContact OD1-N 3.36Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.46Å
134G98.1Very high97.1Very high4 Ų465.3 Ų65.34%0.04133%0.33CS..Hα-helixtrans-63.9-43.917600000113.1N130 E131 E132 L138N130-G134 PolarHBondContact O-N 2.84Å; E131-G134 PolarHBondContact O-N 3.36Å; E132-G134 VanDerWaalsContact C-N 3.29Å; E132-G134 PolarHBondContact O-N 3.39Å; G134-L138 PolarHBondContact O-N 2.85Å
135R98.2Very high97.3Very high112 Ų11266.6 Ų66.642%0.42334%0.335SS..Hα-helixtrans-64.3-49.8176.5-173.1-170.363.975.23.5111.3E131 E132 L137 L138 E139E131-R135 VanDerWaalsContact O-CB 3.3Å; E131-R135 WeakPolarHBondContact O-CB 3.44Å; E131-R135 PolarHBondContact O-N 3.03Å; E132-R135 PolarHBondContact O-N 3.05Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.87Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.13Å; R135-E139 WeakPolarHBondContact CD-OE2 3.2Å; R135-E139 HydrophobicContact CG-CG 4.23Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE2 3.39Å; R135-E139 IonicContact CZ-OE2 3.79Å; R135-E139 IonicContact NH1-OE2 2.8Å; R135-E139 PolarHBondContact NH1-OE2 2.99Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.09Å
136L98.4Very high97.6Very high5 Ų567.8 Ų67.83%0.02634%0.344CS..Hα-helixtrans-61-40.9178.6-69.6175.1000111.4F84 E132 L138 E139 D140 Y141 E143F84-L136 HydrophobicContact CE1-CD1 4.19Å; F84-L136 HydrophobicContact CZ-CD1 4.04Å; E132-L136 HydrophobicContact CG-CD1 4.16Å; E132-L136 WeakPolarHBondContact O-CB 3.33Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.23Å; L136-L138 PolarHBondContact O-N 2.98Å; L136-L138 VanDerWaalsContact O-N 3.14Å; L136-E139 PolarHBondContact O-N 3.46Å; L136-D140 HydrophobicContact CD2-CB 4.27Å; L136-D140 CarbonylContact O-C 2.9Å; L136-D140 WeakPolarHBondContact O-CA 3.3Å; L136-D140 PolarHBondContact O-N 3.48Å; L136-Y141 PolarHBondContact O-N 3.31Å; L136-E143 HydrophobicContact CD1-CG 4.07Å; L136-E143 HydrophobicContact CD2-CB 4.2Å; L136-E143 HydrophobicContact CD2-CG 3.91Å
137L98.2Very high97.9Very high29 Ų2963.2 Ų63.215%0.15232%0.319CS..Hα-helixtrans-53.9-37.4176.1-177.676.5000112.7P86 P123 P125 A133 R135 Y141 Y144P86-L137 HydrophobicContact CG-CB 4.42Å; P86-L137 HydrophobicContact CG-CD2 4.06Å; P123-L137 HydrophobicContact CB-CD2 3.87Å; P123-L137 HydrophobicContact CG-CD1 4.43Å; P123-L137 HydrophobicContact CG-CD2 4.32Å; P125-L137 HydrophobicContact CB-CD2 4.42Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.46Å; R135-L137 VanDerWaalsContact C-N 3.32Å; R135-L137 PolarHBondContact O-N 2.87Å; L137-Y141 HydrophobicContact CD1-CD2 3.93Å; L137-Y141 HydrophobicContact CD1-CE2 3.88Å; L137-Y144 HydrophobicContact CB-CD2 4.47Å; L137-Y144 HydrophobicContact CB-CG 4.39Å; L137-Y144 HydrophobicContact CD1-CD1 3.69Å; L137-Y144 HydrophobicContact CD1-CE1 3.52Å; L137-Y144 HydrophobicContact CD1-CE2 4.5Å; L137-Y144 HydrophobicContact CD1-CG 4.24Å
138L97.8Very high98.2Very high125 Ų12562.5 Ų62.565%0.65431%0.314SS*.Hα-helixtrans-88-37.5-177.3-68.9177.3000113.7P125 G134 R135 L136P125-L138 HydrophobicContact CB-CD1 3.88Å; P125-L138 HydrophobicContact CB-CD2 4.13Å; P125-L138 HydrophobicContact CB-CG 4Å; P125-L138 HydrophobicContact CG-CD1 4.45Å; P125-L138 HydrophobicContact CG-CD2 3.96Å; P125-L138 HydrophobicContact CG-CG 4.39Å; G134-L138 PolarHBondContact O-N 2.85Å; R135-L138 PolarHBondContact O-N 3.31Å; R135-L138 VanDerWaalsContact O-N 3.13Å; L136-L138 PolarHBondContact O-N 2.98Å; L136-L138 VanDerWaalsContact O-N 3.14Å
139E98.1Very high98.2Very high135 Ų13566.3 Ų66.363%0.63132%0.321SS*.Hα-helixtrans-100.9-32.9-169.9-64.6177.1-178.800113.2R135 L136R135-E139 WeakPolarHBondContact CD-OE2 3.2Å; R135-E139 HydrophobicContact CG-CG 4.23Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE2 3.39Å; R135-E139 IonicContact CZ-OE2 3.79Å; R135-E139 IonicContact NH1-OE2 2.8Å; R135-E139 PolarHBondContact NH1-OE2 2.99Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.09Å; L136-E139 PolarHBondContact O-N 3.46Å
140D98.3Very high98.3Very high75 Ų7567.5 Ų67.540%0.40133%0.328SS..  trans-150.679.5-176.2-170-15.4000110.8L136 A142 E143 Y144L136-D140 HydrophobicContact CD2-CB 4.27Å; L136-D140 CarbonylContact O-C 2.9Å; L136-D140 WeakPolarHBondContact O-CA 3.3Å; L136-D140 PolarHBondContact O-N 3.48Å; D140-A142 PolarHBondContact O-N 2.83Å; D140-A142 PolarHBondContact OD1-N 3.47Å; D140-E143 HydrophobicContact CB-CB 4.23Å; D140-E143 PolarHBondContact O-N 3.04Å; D140-E143 PolarHBondContact OD1-N 3.39Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; D140-Y144 PolarHBondContact O-N 3.45Å
141Y98.3Very high98.3Very high111 Ų11168.8 Ų68.844%0.43533%0.334SS..Hα-helixtrans-60.6-32.3-178-174.5-93.2000112.4L136 L137 Y144 E145L136-Y141 PolarHBondContact O-N 3.31Å; L137-Y141 HydrophobicContact CD1-CD2 3.93Å; L137-Y141 HydrophobicContact CD1-CE2 3.88Å; Y141-Y144 AromaticContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CE1 4.5Å; Y141-Y144 AromaticContact CE2-CD1 3.78Å; Y141-Y144 HydrophobicContact CE2-CD1 3.78Å; Y141-Y144 AromaticContact CE2-CE1 3.95Å; Y141-Y144 HydrophobicContact CE2-CE1 3.95Å; Y141-Y144 PolarHBondContact O-N 3.01Å; Y141-E145 HydrophobicContact CD1-CB 4.37Å; Y141-E145 HydrophobicContact CE1-CB 4.1Å; Y141-E145 HydrophobicContact CE1-CG 4.48Å; Y141-E145 WeakPolarHBondContact O-CB 3.38Å; Y141-E145 PolarHBondContact O-N 2.84Å
142A98.5Very high98.3Very high65 Ų6561.2 Ų61.254%0.53730%0.299SS..Hα-helixtrans-66-43-179.100000111.3D140 E145 S146D140-A142 PolarHBondContact O-N 2.83Å; D140-A142 PolarHBondContact OD1-N 3.47Å; A142-E145 PolarHBondContact O-N 3.46Å; A142-S146 VanDerWaalsContact O-CB 3.3Å; A142-S146 WeakPolarHBondContact O-CB 3.33Å; A142-S146 PolarHBondContact O-N 3.26Å
143E98.6Very high98.3Very high67 Ų6762.9 Ų62.931%0.31331%0.307SS..Hα-helixtrans-69.1-40.3175-178.364.5-17200111.8L136 D140 E145 S146 R147L136-E143 HydrophobicContact CD1-CG 4.07Å; L136-E143 HydrophobicContact CD2-CB 4.2Å; L136-E143 HydrophobicContact CD2-CG 3.91Å; D140-E143 HydrophobicContact CB-CB 4.23Å; D140-E143 PolarHBondContact O-N 3.04Å; D140-E143 PolarHBondContact OD1-N 3.39Å; D140-E143 VanDerWaalsContact OD1-N 3.09Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.29Å; E143-S146 PolarHBondContact O-N 3.34Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.44Å; E143-R147 IonicContact OE1-CZ 2.64Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.58Å; E143-R147 PolarHBondContact OE1-NE 3.5Å; E143-R147 IonicContact OE1-NH2 3.72Å; E143-R147 PolarHBondContact OE1-NH2 2.92Å
144Y98.6Very high98.2Very high3 Ų367.9 Ų67.91%0.01233%0.333CS..Hα-helixtrans-55.3-50.8172.1162-104.5000111.3P54 F55 F84 P86 L137 D140 Y141 R147 A148P54-Y144 HydrophobicContact CG-CE1 4.08Å; F55-Y144 WeakPolarHBondContact CZ-OH 3.26Å; F84-Y144 HydrophobicContact CD1-CD2 4.16Å; F84-Y144 HydrophobicContact CD1-CE2 4.34Å; F84-Y144 AromaticContact CE1-CD2 4Å; F84-Y144 HydrophobicContact CE1-CD2 4Å; P86-Y144 HydrophobicContact CG-CE2 4.44Å; L137-Y144 HydrophobicContact CB-CD2 4.47Å; L137-Y144 HydrophobicContact CB-CG 4.39Å; L137-Y144 HydrophobicContact CD1-CD1 3.69Å; L137-Y144 HydrophobicContact CD1-CE1 3.52Å; L137-Y144 HydrophobicContact CD1-CE2 4.5Å; L137-Y144 HydrophobicContact CD1-CG 4.24Å; D140-Y144 PolarHBondContact O-N 3.45Å; Y141-Y144 AromaticContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CD1 3.91Å; Y141-Y144 HydrophobicContact CD2-CE1 4.5Å; Y141-Y144 AromaticContact CE2-CD1 3.78Å; Y141-Y144 HydrophobicContact CE2-CD1 3.78Å; Y141-Y144 AromaticContact CE2-CE1 3.95Å; Y141-Y144 HydrophobicContact CE2-CE1 3.95Å; Y141-Y144 PolarHBondContact O-N 3.01Å; Y144-R147 PolarHBondContact O-N 3.47Å; Y144-A148 HydrophobicContact CE2-CB 4.41Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.33Å
145E98.6Very high98.2Very high51 Ų5171 Ų7124%0.23835%0.346CS..Hα-helixtrans-62.6-46.7-178.2-178.4178.8-158.600111.1P54 Y141 A142 E143 R147 A148 R149P54-E145 HydrophobicContact CB-CG 4.13Å; Y141-E145 HydrophobicContact CD1-CB 4.37Å; Y141-E145 HydrophobicContact CE1-CB 4.1Å; Y141-E145 HydrophobicContact CE1-CG 4.48Å; Y141-E145 WeakPolarHBondContact O-CB 3.38Å; Y141-E145 PolarHBondContact O-N 2.84Å; A142-E145 PolarHBondContact O-N 3.46Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.29Å; E145-R147 PolarHBondContact O-N 3.09Å; E145-A148 PolarHBondContact O-N 2.95Å; E145-R149 HydrophobicContact CG-CG 4.4Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.16Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.37Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 2.76Å; E145-R149 PolarHBondContact OE1-NE 3.33Å; E145-R149 VanDerWaalsContact OE1-NE 3.08Å; E145-R149 IonicContact OE1-NH2 3.63Å; E145-R149 PolarHBondContact OE1-NH2 2.83Å
146S98.6Very high98.1Very high67 Ų6765.8 Ų65.847%0.46933%0.327SS..Hα-helixtrans-55.4-49.4177179.30000111.8A142 E143 R149 L150A142-S146 VanDerWaalsContact O-CB 3.3Å; A142-S146 WeakPolarHBondContact O-CB 3.33Å; A142-S146 PolarHBondContact O-N 3.26Å; E143-S146 PolarHBondContact O-N 3.34Å; S146-R149 PolarHBondContact O-N 3.42Å; S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.06Å
147R98.6Very high97.6Very high85 Ų8570.6 Ų70.632%0.32135%0.351SS..Hα-helixtrans-66.3-42.6179.1-70.1-177.1-175.6-162.88112.9F84 E132 E143 Y144 E145 L150 L151F84-R147 HydrophobicContact CD1-CB 3.8Å; F84-R147 HydrophobicContact CE1-CB 3.85Å; F84-R147 HydrophobicContact CG-CB 4.4Å; E132-R147 IonicContact OE1-CZ 3.71Å; E132-R147 IonicContact OE1-NH1 3.27Å; E132-R147 PolarHBondContact OE1-NH1 3.38Å; E132-R147 IonicContact OE2-NH1 2.65Å; E143-R147 WeakPolarHBondContact O-CG 3.48Å; E143-R147 PolarHBondContact O-N 3.44Å; E143-R147 IonicContact OE1-CZ 2.64Å; E143-R147 VanDerWaalsContact OE1-CZ 3.28Å; E143-R147 IonicContact OE1-NE 3.58Å; E143-R147 PolarHBondContact OE1-NE 3.5Å; E143-R147 IonicContact OE1-NH2 3.72Å; E143-R147 PolarHBondContact OE1-NH2 2.92Å; Y144-R147 PolarHBondContact O-N 3.47Å; E145-R147 PolarHBondContact O-N 3.09Å; R147-L150 PolarHBondContact O-N 3.41Å; R147-L151 WeakPolarHBondContact O-CB 3.3Å; R147-L151 PolarHBondContact O-N 3.38Å
148A98.6Very high96.1Very high0 Ų071.2 Ų71.20%036%0.364CS..Hα-helixtrans-66-39.317900000112P54 F55 F84 Y144 E145 T152P54-A148 HydrophobicContact CB-CB 3.53Å; P54-A148 HydrophobicContact CG-CB 3.76Å; F55-A148 HydrophobicContact CE1-CB 4.04Å; F55-A148 HydrophobicContact CZ-CB 4.42Å; F84-A148 HydrophobicContact CB-CB 4.39Å; F84-A148 HydrophobicContact CD1-CB 4.28Å; Y144-A148 HydrophobicContact CE2-CB 4.41Å; Y144-A148 WeakPolarHBondContact O-CB 3.48Å; Y144-A148 PolarHBondContact O-N 3.33Å; E145-A148 PolarHBondContact O-N 2.95Å; A148-T152 WeakPolarHBondContact O-CB 3.41Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.4Å
149R98.5Very high94.1Very high112 Ų11267.6 Ų67.642%0.42336%0.357SS..Hα-helixtrans-63.3-49.5172.9-74.7175.7-175-104.36.2111.6P54 E145 S146 L151 T152 E153P54-R149 HydrophobicContact CB-CG 3.77Å; P54-R149 WeakPolarHBondContact O-CA 3.5Å; P54-R149 WeakPolarHBondContact O-CG 3.33Å; E145-R149 HydrophobicContact CG-CG 4.4Å; E145-R149 WeakPolarHBondContact O-CB 3.41Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.16Å; E145-R149 PolarHBondContact O-N 3.44Å; E145-R149 IonicContact OE1-CZ 3.37Å; E145-R149 VanDerWaalsContact OE1-CZ 3.27Å; E145-R149 IonicContact OE1-NE 2.76Å; E145-R149 PolarHBondContact OE1-NE 3.33Å; E145-R149 VanDerWaalsContact OE1-NE 3.08Å; E145-R149 IonicContact OE1-NH2 3.63Å; E145-R149 PolarHBondContact OE1-NH2 2.83Å; S146-R149 PolarHBondContact O-N 3.42Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.14Å; R149-T152 WeakPolarHBondContact O-CA 3.49Å; R149-T152 WeakPolarHBondContact O-CB 3.25Å; R149-T152 PolarHBondContact O-N 3.33Å; R149-T152 VanDerWaalsContact O-N 3.09Å; R149-E153 WeakPolarHBondContact O-CG 3.26Å; R149-E153 PolarHBondContact O-N 2.94Å
150L98.1Very high91.7Very high97 Ų9767.9 Ų67.951%0.50837%0.37SS..Hα-helixtrans-55.8-45.517817863.6000111.8S146 R147 T152 E153 I154S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.06Å; R147-L150 PolarHBondContact O-N 3.41Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 2.84Å; L150-E153 PolarHBondContact O-N 2.98Å; L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 VanDerWaalsContact O-CG1 3.32Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-I154 VanDerWaalsContact O-N 3.09Å
151L97.8Very high89.1Confident49 Ų4967.6 Ų67.626%0.25739%0.385SS..Hα-helixtrans-69.1-33.9-179.8-146.269.5000111.9F84 R147 R149 I154 H155F84-L151 HydrophobicContact CB-CB 4.38Å; F84-L151 HydrophobicContact CB-CD2 3.83Å; R147-L151 WeakPolarHBondContact O-CB 3.3Å; R147-L151 PolarHBondContact O-N 3.38Å; R149-L151 VanDerWaalsContact C-N 3.3Å; R149-L151 PolarHBondContact O-N 3.14Å; L151-I154 PolarHBondContact O-N 3.01Å; L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-CD2 2.9Å; L151-H155 PolarHBondContact O-N 3.32Å
152T98.4Very high86.4Confident5 Ų564.7 Ų64.73%0.03139%0.389CS..Hα-helixtrans-62.4-46.6171.9-61.10000110.9P54 F60 A148 R149 L150 I154 H155 A156 M157P54-T152 PolarHBondContact O-OG1 2.92Å; F60-T152 HydrophobicContact CE2-CG2 4.42Å; F60-T152 HydrophobicContact CZ-CG2 3.88Å; A148-T152 WeakPolarHBondContact O-CB 3.41Å; A148-T152 PolarHBondContact O-N 2.92Å; A148-T152 PolarHBondContact O-OG1 3.4Å; R149-T152 WeakPolarHBondContact O-CA 3.49Å; R149-T152 WeakPolarHBondContact O-CB 3.25Å; R149-T152 PolarHBondContact O-N 3.33Å; R149-T152 VanDerWaalsContact O-N 3.09Å; L150-T152 VanDerWaalsContact C-N 3.32Å; L150-T152 PolarHBondContact O-N 2.84Å; T152-I154 VanDerWaalsContact C-N 3.33Å; T152-I154 PolarHBondContact O-N 3.42Å; T152-H155 PolarHBondContact O-N 3.26Å; T152-A156 HydrophobicContact CG2-CB 4.05Å; T152-A156 CarbonylContact O-C 3.58Å; T152-A156 WeakPolarHBondContact O-CA 3.37Å; T152-A156 WeakPolarHBondContact O-CB 3.38Å; T152-A156 PolarHBondContact O-N 3.36Å; T152-M157 PolarHBondContact O-N 2.97Å
153E97.3Very high83.6Confident123 Ų12367.9 Ų67.958%0.57540%0.402SS*.Hα-helixtrans-59.8-40.7178-73.3173.9-16800112.8R149 L150 M157R149-E153 WeakPolarHBondContact O-CG 3.26Å; R149-E153 PolarHBondContact O-N 2.94Å; L150-E153 PolarHBondContact O-N 2.98Å; E153-M157 WeakPolarHBondContact O-CB 3.39Å
154I97.1Very high81.1Confident105 Ų10570 Ų7054%0.53842%0.424SS..Hα-helixtrans-77.3-38.7-177.4-63.8165.8000112.1L150 L151 T152L150-I154 HydrophobicContact CD1-CD1 3.86Å; L150-I154 HydrophobicContact CD1-CG1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.94Å; L150-I154 VanDerWaalsContact O-CG1 3.32Å; L150-I154 WeakPolarHBondContact O-CG1 3.44Å; L150-I154 PolarHBondContact O-N 2.97Å; L150-I154 VanDerWaalsContact O-N 3.09Å; L151-I154 PolarHBondContact O-N 3.01Å; T152-I154 VanDerWaalsContact C-N 3.33Å; T152-I154 PolarHBondContact O-N 3.42Å
155H97.1Very high78.4Confident70 Ų7073.5 Ų73.532%0.32446%0.461SS..Hα-helixtrans-112.6-23.9-166.1-66.2-66.3000115.2T81 K82 L151 T152T81-H155 HydrophobicContact CG2-CB 4.04Å; T81-H155 WeakPolarHBondContact CG2-O 3.33Å; K82-H155 HydrophobicContact CB-CB 4.28Å; L151-H155 WeakPolarHBondContact O-CB 3.32Å; L151-H155 PolarHBondContact O-CD2 2.9Å; L151-H155 PolarHBondContact O-N 3.32Å; T152-H155 PolarHBondContact O-N 3.26Å
156A96.1Very high75.4Confident2 Ų274.8 Ų74.82%0.01748%0.481CS..THydrogen-bonded Turntrans-114.2-18.7-172.800000112.9I59 F60 T81 T152 G158I59-A156 PolarHBondContact N-O 3.26Å; F60-A156 HydrophobicContact CD1-CB 4.2Å; F60-A156 HydrophobicContact CE1-CB 3.79Å; F60-A156 HydrophobicContact CE2-CB 4.11Å; F60-A156 HydrophobicContact CZ-CB 3.75Å; T81-A156 HydrophobicContact CG2-CB 3.87Å; T152-A156 HydrophobicContact CG2-CB 4.05Å; T152-A156 CarbonylContact O-C 3.58Å; T152-A156 WeakPolarHBondContact O-CA 3.37Å; T152-A156 WeakPolarHBondContact O-CB 3.38Å; T152-A156 PolarHBondContact O-N 3.36Å; A156-G158 PolarHBondContact O-N 3.06Å
157M88.3Confident72.8Confident107 Ų10777.8 Ų77.853%0.52750%0.498SS..  trans-81.799.9173.1-62.2-66.8-8000109.8T152 E153T152-M157 PolarHBondContact O-N 2.97Å; E153-M157 WeakPolarHBondContact O-CB 3.39Å
158G66.6Low70.1Confident42 Ų4282.9 Ų82.943%0.43353%0.526SS..  trans159.491.1-177.300000110.1A156A156-G158 PolarHBondContact O-N 3.06Å
159G55.3Low67.3Low49 Ų4989.9 Ų89.951%0.50556%0.563SS.*  trans-53.1165.9168.700000112G161 G162G159-G161 PolarHBondContact O-N 3.09Å; G159-G162 PolarHBondContact O-N 3.09Å
160P47.8Very low64.8Low141 Ų14190.6 Ų90.692%0.91658%0.582SS**THydrogen-bonded Turntrans-58.6100.2-159.726.8-34.3000111.4
161G44.9Very low62.5Low68 Ų6892.8 Ų92.870%0.70160%0.595SS**THydrogen-bonded Turntrans156.8-14.7-173.100000114.6G159 T163G159-G161 PolarHBondContact O-N 3.09Å; G161-T163 PolarHBondContact O-N 2.96Å
162G40.1Very low60.1Low51 Ų5198.6 Ų98.653%0.52663%0.626SS.*  trans-64.8104.6171.200000111.2G159 S164G159-G162 PolarHBondContact O-N 3.09Å; G162-S164 PolarHBondContact O-N 3.05Å
163T39.9Very low57.6Low132 Ų132101 Ų10181%0.8165%0.651SS**  trans-43.9118.1-178.350.70000112.1G161 G165G161-T163 PolarHBondContact O-N 2.96Å; T163-G165 PolarHBondContact O-N 2.73Å; T163-G165 VanDerWaalsContact O-N 3.09Å
164S45.9Very low54.9Low111 Ų111101.6 Ų101.678%0.77667%0.666SS**  trans-52.7112.7160.144.60000108.9G162 A166G162-S164 PolarHBondContact O-N 3.05Å; S164-A166 PolarHBondContact O-N 2.64Å
165G42Very low52.3Low76 Ų76105.3 Ų105.378%0.78468%0.681SS**  trans-55.8113.7163.600000108.2T163T163-G165 PolarHBondContact O-N 2.73Å; T163-G165 VanDerWaalsContact O-N 3.09Å
166A36.4Very low49.6Very low79 Ų79107.6 Ų107.665%0.65370%0.702SS**  trans-56.9151.8170.200000109.7S164 Q168S164-A166 PolarHBondContact O-N 2.64Å; A166-Q168 PolarHBondContact O-N 2.8Å; A166-Q168 VanDerWaalsContact O-N 3.12Å
167P43.3Very low46.9Very low130 Ų130117.6 Ų117.684%0.84475%0.745SS**  trans-57.6119.8168.6-15.328.5000108.5D169P167-D169 PolarHBondContact O-N 3.23Å
168Q42.4Very low44.3Very low192 Ų192121.6 Ų121.690%0.89776%0.76SS**  trans-70112.9168.5-75.3-175.1-27.300108A166A166-Q168 PolarHBondContact O-N 2.8Å; A166-Q168 VanDerWaalsContact O-N 3.12Å
169D39.4Very low43Very low146 Ų146129.2 Ų129.278%0.78178%0.784SS**  trans-62.1127.5165-119.6-37.7000108.5P167 N171P167-D169 PolarHBondContact O-N 3.23Å; D169-N171 PolarHBondContact O-N 3.12Å
170P47.3Very low42.2Very low128 Ų128132 Ų13283%0.83180%0.802SS**THydrogen-bonded Turntrans-82.128.6-171.932.7-34.1000113.8
171N50.2Low41.5Very low143 Ų143129.1 Ų129.177%0.76580%0.797SS**THydrogen-bonded Turntrans-129.619.6-167.4-148.831.6000117.9D169 G173D169-N171 PolarHBondContact O-N 3.12Å; N171-G173 PolarHBondContact O-N 3.02Å
172D46Very low41Very low171 Ų171133.3 Ų133.391%0.91480%0.804SS**  trans-97.290.2169.2-98.5-35.1000111.5
173G45.3Very low41.7Very low54 Ų54135.8 Ų135.856%0.55781%0.811SS**PPolyproline II helixtrans-70.3149.3163.900000111.3N171 Q175N171-G173 PolarHBondContact O-N 3.02Å; G173-Q175 PolarHBondContact O-N 3.26Å
174P41.8Very low41.4Very low136 Ų136137.5 Ų137.588%0.88381%0.811SS**PPolyproline II helixtrans-73.6118.5-175.9-5.821000111.1
175Q42Very low41Very low183 Ų183141.6 Ų141.686%0.85582%0.815SS**PPolyproline II helixtrans-84.9139166.2-75.4-166.7-11.800111.7G173G173-Q175 PolarHBondContact O-N 3.26Å
176P41.4Very low40.5Very low119 Ų119149.6 Ų149.677%0.77382%0.822SS**PPolyproline II helixtrans-85.2134.2-17731.9-31.9000112.5
177K39.4Very low40.5Very low211 Ų211150.7 Ų150.792%0.91783%0.831SS**PPolyproline II helixtrans-77.6121.4169.1-73.9-175.5177.6178.20110.4
178K34Very low39.9Very low192 Ų192148.1 Ų148.184%0.83583%0.828SS**PPolyproline II helixtrans-73.5139.3168.1-63.1175.4178.2177.20110.3
179H38.8Very low40.4Very low202 Ų202145 Ų14594%0.93582%0.824SS**  trans-148.2136.5145.2-102.569.4000108.6
180A38.4Very low40.2Very low107 Ų107143.1 Ų143.188%0.88482%0.823SS**  trans-103.1151.8-172.300000111.8
181G31.7Very low39.8Very low80 Ų80143.1 Ų143.183%0.82582%0.82SS**  trans159.68716600000114.3
182D34.7Very low39.1Very low156 Ų156140.8 Ų140.883%0.83482%0.821SS**  trans-83.2-179.2169-115.8-77000111.1
183P54.9Low38.6Very low103 Ų103137.3 Ų137.367%0.66982%0.816SS**  cis-141.4178.8-7.129.6-5.7000117.1
184M34.3Very low38.2Very low168 Ų168141.3 Ų141.383%0.82883%0.829SS**  trans114.8106132-157.1113.791.500119.2
185K36.8Very low38.8Very low198 Ų198140.4 Ų140.486%0.86182%0.823SS**  175.1120.1110.9-98.6-176.4179.4-177.40115
186R32.9Very low38.5Very low244 Ų244136.3 Ų136.392%0.92182%0.821SS**  trans18.5128.9144.2-67-177.9176.5-151.3-2122
187A34.8Very low38.4Very low101 Ų101134.9 Ų134.984%0.83582%0.819SS**  155131.599.500000111.6
188G31.8Very low38.1Very low77 Ų77133.2 Ų133.279%0.79482%0.819SS**  trans-92-147.5179.600000114.1
189P51.8Low38.1Very low126 Ų126127.4 Ų127.482%0.81881%0.813SS**  cis-135.5-167.9-25.840.1-21.8000113.9
190S36.4Very low38Very low106 Ų106126.3 Ų126.374%0.74181%0.814SS**  trans85.6143.6157.5-113.40000117
191V38.7Very low37.8Very low128 Ų128124.7 Ų124.778%0.77681%0.809SS**  cis-170.8137.47.3-106.40000107.3
192A35.5Very low38Very low95 Ų95125.2 Ų125.279%0.78581%0.805SS**  105.4137103.500000117.4
193A34.4Very low38.2Very low98 Ų98125.9 Ų125.981%0.8181%0.809SS**  trans76.6115.6137.900000123
194V38Very low37.2Very low138 Ų138124.5 Ų124.584%0.83681%0.813SS**  trans-64.8172142.1-103.40000111.1
195P53.5Low37.3Very low116 Ų116121 Ų12175%0.75381%0.81SS**  cis-148.8177.925.735.5-10.6000118.8
196A37Very low37.2Very low98 Ų98116.5 Ų116.581%0.8180%0.804SS**  trans38.4134.7138.400000124.7
197A37.7Very low37.3Very low88 Ų88110.9 Ų110.973%0.72780%0.797SS**  trans175.8120.8133.300000108.9
198L32.9Very low37.2Very low177 Ų177111.9 Ų111.993%0.92779%0.793SS**  81127.172-84.6159.3000115.3
199G34.9Very low37.4Very low69 Ų69113.5 Ų113.571%0.71179%0.792SS**  trans124.4105.2151.400000113.8
200N35.8Very low36.6Very low179 Ų179112.3 Ų112.396%0.95779%0.787SS**  94.7137.362.8-10017.4000114.6
201G34Very low36.5Very low74 Ų74114.9 Ų114.976%0.76379%0.792SS**  trans123.59616200000112.3
202A37.6Very low36.3Very low90 Ų90113.7 Ų113.774%0.74479%0.79SS**  cis82.1115.74400000115.7
203N38.9Very low36.3Very low171 Ų171116.8 Ų116.891%0.91479%0.793SS**  trans94.7134.9137.5-65.2-12.2000123.6
204G33.4Very low36.4Very low74 Ų74117.9 Ų117.976%0.76380%0.795SS**  trans133.784.6146.900000114.6
205A35.8Very low36.1Very low93 Ų93116.6 Ų116.677%0.76979%0.792SS**  62.899.984.300000113.8
206S36Very low35.2Very low104 Ų104116.6 Ų116.673%0.72779%0.794SS**  77.1126.691.770.20000116.6
207T33.3Very low35Very low127 Ų127119.2 Ų119.278%0.77980%0.795SS**  trans162.2107.2139.534.50000110.3
208T33.5Very low35Very low122 Ų122121.3 Ų121.375%0.74880%0.799SS**  87.1132.291.9510000117.9
209S36.3Very low35.1Very low110 Ų110119.9 Ų119.977%0.76979%0.792SS**  trans66.3144.4144.252.50000119.3
210S35.4Very low35.2Very low101 Ų101123.7 Ų123.771%0.70680%0.796SS**  cis-179.9158.16.637.80000111.3
211N32.7Very low35.4Very low160 Ų160122 Ų12286%0.85679%0.792SS**  trans63.8150.7148.9-94.71.9000119.5
212S35.7Very low35.6Very low104 Ų104122.9 Ų122.973%0.72779%0.792SS**  cis-170.3158.411.735.50000110.5
213N34.8Very low35.4Very low159 Ų159121.9 Ų121.985%0.8579%0.791SS**  trans-37.1149164.8-82-17.2000116.6
214S36.3Very low35.4Very low122 Ų122123.7 Ų123.785%0.85379%0.79SS**  -164.3143.7122.956.20000112.8
215S32.6Very low35.6Very low110 Ų110130.2 Ų130.277%0.76980%0.798SS**  trans-84.5163.7-176.1-46.70000113
216S35Very low35.8Very low116 Ų116135.7 Ų135.781%0.81180%0.804SS**  131.7123.2126.967.20000117.4
217N31.9Very low35.9Very low153 Ų153134.9 Ų134.982%0.81880%0.804SS**  trans34.2134.3143.2-83.2-8000121.7
218T38.1Very low36.4Very low133 Ų133136.5 Ų136.582%0.81681%0.808SS**  -175.6129.5106.533.80000113.5
219N34.5Very low37Very low146 Ų146140.9 Ų140.978%0.78182%0.817SS**  trans29.9116.4138.4-63.1-19.8000122.8
220N37.4Very low37.6Very low149 Ų149146 Ų14680%0.79783%0.825SS**  47.8109.7108.8-142.510.9000119.5
221V39.9Very low38.1Very low145 Ų145152.7 Ų152.788%0.87984%0.835SS**  trans-143.7114.9147.3179.30000110.1
222A38.8Very low38.6Very low92 Ų92149.7 Ų149.776%0.7683%0.832SS**  trans-84.5141.7160.100000110
223G34Very low39.2Very low69 Ų69153 Ų15371%0.71184%0.841SS**  trans149.3108.7158.800000117.7
224K37.1Very low40Very low209 Ų209156.9 Ų156.991%0.90984%0.844SS**  trans62.4116.9146.4-69.4175175.4172.10119.3
225K38.1Very low40.7Very low211 Ų211162.5 Ų162.592%0.91785%0.846SS**  -164.7107.4111-101.4167-173.1-177.40111.3
226K39.7Very low41.2Very low207 Ų207169.2 Ų169.290%0.987%0.872SS**  trans-79.8155.4156.8-89-177.4173.9179.30108.4
227A39.4Very low41.5Very low88 Ų88171.9 Ų171.973%0.72788%0.875SS**  trans78.5100.5165.700000116
228D44.3Very low42Very low160 Ų160172.9 Ų172.986%0.85688%0.878SS**  170.699.8117.1-93.3-41.1000110.3
229K44.5Very low42.2Very low215 Ų215175.1 Ų175.194%0.93588%0.882SS**  trans-162.236.5156.3-114.7173.9-172.9-1750113R231K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.49Å
230K50Low42.7Very low218 Ų218176.8 Ų176.895%0.94889%0.887SS**  trans-9560.9168.1-144.8-176.5-166.4-174.60109.5
231R46.4Very low43Very low241 Ų241178.6 Ų178.691%0.90989%0.893SS**  trans-164.473.1170.1-158.5177-176.5-157.60.4112.8K229K229-R231 VanDerWaalsContact C-N 3.34Å; K229-R231 PolarHBondContact O-N 3.49Å
232A43Very low43.2Very low97 Ų97180.8 Ų180.880%0.80289%0.894SS**  trans-158.358158.900000109.9
233L48.5Very low43.6Very low174 Ų174187.1 Ų187.191%0.91190%0.904SS**  trans-137.881.4162.3-136.1100.9000107.5
234R50Low44.3Very low240 Ų240196.2 Ų196.291%0.90692%0.918SS**SBendtrans-171.9118.8161.2-106.1171.5-171.2-104.50.7106.7
235R52.5Low44.9Very low240 Ų240195.2 Ų195.291%0.90692%0.919SS**  trans86.186.1178.9-53.3177.7172.6-167.9-3.8114.1
236L42.5Very low45.5Very low251 Ų251193.7 Ų193.7100%1.31492%0.919SS**  -162.6088.6-92152.9000107.9

Retrieved 236 of 236 residues in 65.3 ms (Link to these results)