A0A096NXA3_PAPAN Loading...

Magnesium-dependent phosphatase 1

Magnesium-dependent phosphatase which may act as a tyrosine phosphatase.

AlphaFold DB (A0A2K5VH52), UniProt , Accession A0A096NXA3, Species PAPAN (Papio anubis, Olive baboon), Gene MDP1, Length 175 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
1M52.4Low90.6Very high243 Ų24359.5 Ų59.5100%1.19730%0.303SS*.  01330-80176.1170.700108.4
2A66.1Low91.3Very high84 Ų8454.6 Ų54.669%0.69428%0.278SS*.PPolyproline II helixtrans-63.9134.7173.900000109.6L4A2-L4 PolarHBondContact O-N 3.4Å
3R89.8Confident91.8Very high112 Ų11251.2 Ų51.242%0.42326%0.261SS..PPolyproline II helixtrans-73.6122.4179.2-74-179.2177.3-178.40.8109.3Q161R3-Q161 HydrophobicContact CB-CB 4.34Å; R3-Q161 HydrophobicContact CB-CG 4.46Å; R3-Q161 PolarHBondContact NH1-O 3.49Å
4L97.4Very high92.3Very high73 Ų7352.1 Ų52.138%0.38226%0.261SS..PPolyproline II helixtrans-91.9148.2173.5-68.8172.4000110.5A2 L61 V63 L154 F157A2-L4 PolarHBondContact O-N 3.4Å; L4-L61 HydrophobicContact CD1-CB 4.1Å; L4-L61 HydrophobicContact CD1-CD2 4.4Å; L4-L61 HydrophobicContact CD2-CD1 4.35Å; L4-V63 HydrophobicContact CB-CG2 4.19Å; L4-V63 HydrophobicContact CD1-CG2 4.38Å; L4-L154 HydrophobicContact CD2-CD2 4.5Å; L4-F157 VanDerWaalsContact C-CE1 3.47Å
5P98.2Very high92.8Very high4 Ų448.7 Ų48.73%0.02624%0.243CC..PPolyproline II helixtrans-64.2153.5169.429.3-34.2000110.1V63 I119 L154 F157P5-V63 HydrophobicContact CG-CG1 4.11Å; P5-I119 HydrophobicContact CB-CB 4.12Å; P5-I119 HydrophobicContact CB-CG2 3.8Å; P5-I119 HydrophobicContact CG-CB 4.29Å; P5-I119 HydrophobicContact CG-CG2 3.62Å; P5-L154 HydrophobicContact CG-CD2 3.69Å; P5-F157 VanDerWaalsContact CA-CE1 3.46Å; P5-F157 VanDerWaalsContact CA-CZ 3.48Å; P5-F157 HydrophobicContact CB-CD1 4.18Å; P5-F157 HydrophobicContact CB-CD2 4.05Å; P5-F157 HydrophobicContact CB-CE1 3.97Å; P5-F157 HydrophobicContact CB-CE2 3.86Å; P5-F157 HydrophobicContact CB-CG 4.23Å; P5-F157 HydrophobicContact CB-CZ 3.82Å; P5-F157 HydrophobicContact CG-CD1 4.49Å; P5-F157 VanDerWaalsContact N-CE1 3.3Å
6K98.3Very high93.1Very high128 Ų12845.7 Ų45.756%0.55723%0.228SC*.SBendtrans-90-15175.3-64.6-133.7-177.9-164.50113P64 I113 Q117K6-P64 VanDerWaalsContact O-CD 3.27Å; K6-P64 WeakPolarHBondContact O-CD 3.13Å; K6-P64 WeakPolarHBondContact O-CG 3.41Å; K6-I113 HydrophobicContact CB-CD1 4.18Å; K6-I113 HydrophobicContact CB-CG1 4.44Å; K6-I113 HydrophobicContact CB-CG2 3.89Å; K6-I113 WeakPolarHBondContact O-CD1 3.49Å; K6-Q117 HydrophobicContact CB-CB 4.12Å; K6-Q117 HydrophobicContact CG-CB 4.16Å; K6-Q117 VanDerWaalsContact CG-OE1 3.25Å; K6-Q117 PolarHBondContact N-O 3.5Å
7L98.8Very high93.5Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-147.2133172.5-168.668.2000109.6V9 P64 A66 V91 T111 I113 M118 I119L7-V9 HydrophobicContact CD2-CG2 3.79Å; L7-V9 HydrophobicContact CG-CG2 3.98Å; L7-P64 HydrophobicContact CD1-CB 4.32Å; L7-P64 HydrophobicContact CD1-CG 4.07Å; L7-A66 HydrophobicContact CD1-CB 4.09Å; L7-A66 HydrophobicContact CD2-CB 4.29Å; L7-A66 HydrophobicContact CG-CB 4.34Å; L7-V91 HydrophobicContact CD1-CG2 4.26Å; L7-T111 HydrophobicContact CD1-CG2 4.42Å; L7-T111 HydrophobicContact CD2-CG2 4.21Å; L7-I113 HydrophobicContact CB-CD1 3.87Å; L7-I113 HydrophobicContact CB-CG2 4.37Å; L7-I113 HydrophobicContact CD1-CD1 4.39Å; L7-M118 HydrophobicContact CB-CG 4.14Å; L7-M118 HydrophobicContact CD2-CE 4.07Å; L7-M118 HydrophobicContact CD2-CG 4.37Å; L7-M118 HydrophobicContact CD2-SD 3.95Å; L7-M118 WeakPolarHBondContact O-CA 3.3Å; L7-I119 PolarHBondContact O-N 3.27Å
8A98.9Very high93.8Very high0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-106.5115.916900000109.6F10 L58 V63 P64 G65 A66 I119A8-F10 HydrophobicContact CB-CE2 3.89Å; A8-F10 HydrophobicContact CB-CZ 4.42Å; A8-L58 HydrophobicContact CB-CD1 3.64Å; A8-L58 HydrophobicContact CB-CD2 4.04Å; A8-L58 HydrophobicContact CB-CG 4.49Å; A8-V63 HydrophobicContact CB-CG1 3.99Å; A8-P64 PolarHBondContact N-O 3.19Å; A8-G65 CarbonylContact O-C 3.6Å; A8-G65 VanDerWaalsContact O-CA 3.27Å; A8-G65 WeakPolarHBondContact O-CA 3.28Å; A8-A66 PolarHBondContact O-N 3.39Å; A8-I119 HydrophobicContact CB-CG2 3.84Å
9V98.9Very high94Very high0 Ų042.1 Ų42.10%021%0.214CC..EExtended strand (participates in β ladder)trans-103.9134.9-178.5-170.20000109.4L7 A66 A68 F104 L107 I119 F120 F121L7-V9 HydrophobicContact CD2-CG2 3.79Å; L7-V9 HydrophobicContact CG-CG2 3.98Å; V9-A66 CarbonylContact C-O 3.56Å; V9-A66 WeakPolarHBondContact CA-O 3.4Å; V9-A66 HydrophobicContact CG2-CB 4.36Å; V9-A68 HydrophobicContact CG1-CB 3.68Å; V9-F104 HydrophobicContact CB-CE1 4.13Å; V9-F104 HydrophobicContact CB-CZ 3.72Å; V9-F104 HydrophobicContact CG1-CE1 4.33Å; V9-F104 HydrophobicContact CG1-CE2 4.07Å; V9-F104 HydrophobicContact CG1-CZ 3.64Å; V9-F104 HydrophobicContact CG2-CE1 3.81Å; V9-F104 HydrophobicContact CG2-CZ 3.93Å; V9-L107 HydrophobicContact CG1-CD1 3.74Å; V9-L107 HydrophobicContact CG2-CD1 4.03Å; V9-I119 PolarHBondContact N-O 2.99Å; V9-F120 HydrophobicContact CB-CD2 4Å; V9-F120 HydrophobicContact CG1-CD2 4.02Å; V9-F120 HydrophobicContact CG1-CE2 4.33Å; V9-F120 WeakPolarHBondContact O-CA 3.14Å; V9-F120 WeakPolarHBondContact O-CD2 3.34Å; V9-F121 PolarHBondContact O-N 3.22Å
10F98.9Very high94.2Very high0 Ų046.1 Ų46.10%023%0.226CC..EExtended strand (participates in β ladder)trans-120.8136.4179.6-65.4-91.2000110.5A8 T15 L16 V54 L55 L58 A66 A67 A68 F90 F121 M145A8-F10 HydrophobicContact CB-CE2 3.89Å; A8-F10 HydrophobicContact CB-CZ 4.42Å; F10-T15 HydrophobicContact CD1-CG2 4.33Å; F10-L16 HydrophobicContact CB-CD2 4.33Å; F10-L16 HydrophobicContact CD1-CD2 4.11Å; F10-L16 HydrophobicContact CG-CD2 4.39Å; F10-V54 HydrophobicContact CE1-CG1 4.26Å; F10-V54 HydrophobicContact CZ-CG1 4.2Å; F10-L55 HydrophobicContact CD2-CD2 4.31Å; F10-L55 HydrophobicContact CE2-CD2 3.89Å; F10-L55 HydrophobicContact CZ-CD2 4.17Å; F10-L58 HydrophobicContact CE2-CD1 3.6Å; F10-L58 HydrophobicContact CZ-CD1 3.45Å; F10-L58 VanDerWaalsContact CZ-CD1 3.45Å; F10-A66 PolarHBondContact N-O 2.96Å; F10-A67 CarbonylContact O-C 3.56Å; F10-A67 WeakPolarHBondContact O-CA 3.48Å; F10-A68 PolarHBondContact O-N 3.26Å; F10-F90 HydrophobicContact CB-CE1 4.46Å; F10-F90 AromaticContact CD2-CE1 4Å; F10-F90 HydrophobicContact CD2-CE1 4Å; F10-F121 HydrophobicContact CD1-CB 3.83Å; F10-F121 HydrophobicContact CD1-CD2 4.05Å; F10-F121 HydrophobicContact CD1-CG 4.21Å; F10-F121 HydrophobicContact CE1-CB 4.1Å; F10-F121 AromaticContact CE1-CD2 3.61Å; F10-F121 HydrophobicContact CE1-CD2 3.61Å; F10-F121 HydrophobicContact CE1-CE2 4.23Å; F10-F121 AromaticContact CE1-CG 3.98Å; F10-F121 HydrophobicContact CE1-CG 3.98Å; F10-F121 AromaticContact CZ-CD2 3.92Å; F10-F121 HydrophobicContact CZ-CD2 3.92Å; F10-F121 HydrophobicContact CZ-CE2 4.21Å; F10-M145 HydrophobicContact CD1-CG 4.46Å; F10-M145 HydrophobicContact CE1-CE 3.98Å; F10-M145 HydrophobicContact CE1-CG 3.97Å; F10-M145 HydrophobicContact CE1-SD 3.95Å
11D98.8Very high94.4Very high11 Ų1143.9 Ų43.96%0.05922%0.215CC..  trans-67.4171.4153.3-166.838000111.4T15 A68 K100 F121 D122D11-T15 HydrophobicContact CB-CG2 4.42Å; D11-T15 WeakPolarHBondContact O-CB 3.34Å; D11-T15 VanDerWaalsContact O-CG2 3.31Å; D11-T15 WeakPolarHBondContact O-CG2 3.31Å; D11-A68 WeakPolarHBondContact CA-O 3.34Å; D11-K100 IonicContact OD1-NZ 2.78Å; D11-K100 PolarHBondContact OD1-NZ 3.43Å; D11-K100 IonicContact OD2-NZ 3.75Å; D11-F121 PolarHBondContact N-O 3.47Å; D11-D122 HydrophobicContact CB-CB 4.05Å; D11-D122 WeakPolarHBondContact CB-OD2 3.47Å
12L98.8Very high96.6Very high0 Ų035.6 Ų35.60%018%0.176CC..SBendtrans-106.2-66.1-179.2-62.6-177.8000112.3T15 L16 W17 A67 A77 L81 I95L12-T15 PolarHBondContact O-N 2.85Å; L12-L16 HydrophobicContact CD2-CD1 3.61Å; L12-L16 HydrophobicContact CD2-CG 4.38Å; L12-L16 PolarHBondContact O-N 3.17Å; L12-W17 HydrophobicContact CB-CH2 3.95Å; L12-W17 HydrophobicContact CB-CZ2 3.68Å; L12-W17 HydrophobicContact CD1-CH2 4.02Å; L12-W17 HydrophobicContact CD1-CZ2 4.34Å; L12-W17 HydrophobicContact CD2-CH2 4.41Å; L12-W17 HydrophobicContact CG-CH2 4.36Å; L12-A67 HydrophobicContact CD2-CB 4.16Å; L12-A77 HydrophobicContact CD1-CB 4.02Å; L12-L81 HydrophobicContact CD2-CD1 4.46Å; L12-L81 HydrophobicContact CD2-CD2 4.08Å; L12-I95 HydrophobicContact CD1-CD1 3.82Å; L12-I95 HydrophobicContact CD1-CG1 4.12Å; L12-I95 HydrophobicContact CD1-CG2 4.46Å
13D98.7Very high98.1Very high11 Ų1135.9 Ų35.96%0.05917%0.169CC..BIsolated β-bridgetrans-65.8138.4-176.6-61.1-48.5000110.5T15 W17 F19 W20 V21 D123D13-T15 PolarHBondContact O-N 2.85Å; D13-W17 PolarHBondContact OD1-NE1 3.34Å; D13-F19 WeakPolarHBondContact CA-O 3.37Å; D13-F19 WeakPolarHBondContact CB-O 3.3Å; D13-W20 HydrophobicContact CB-CG 4.48Å; D13-W20 WeakPolarHBondContact OD1-CA 3.33Å; D13-V21 WeakPolarHBondContact OD1-CG1 3.27Å; D13-V21 PolarHBondContact OD1-N 2.64Å; D13-D123 VanDerWaalsContact O-OD1 3.09Å
14Y98.7Very high98.5Very high64 Ų6434.1 Ų34.125%0.25117%0.166SC..THydrogen-bonded Turntrans52.92-173.1-69.1-79.8000117W17 W20 H24 Y48 D123 G144Y14-W17 WeakPolarHBondContact CA-O 3.33Å; Y14-W17 PolarHBondContact N-O 3.15Å; Y14-W20 AromaticContact CD2-CD1 3.85Å; Y14-W20 HydrophobicContact CD2-CD2 4.45Å; Y14-W20 AromaticContact CD2-CE2 3.94Å; Y14-W20 HydrophobicContact CD2-CG 4.33Å; Y14-W20 AromaticContact CD2-NE1 3.54Å; Y14-W20 AromaticContact CE2-CD1 3.79Å; Y14-W20 AromaticContact CE2-CD2 3.7Å; Y14-W20 HydrophobicContact CE2-CD2 3.7Å; Y14-W20 AromaticContact CE2-CE2 3.49Å; Y14-W20 VanDerWaalsContact CE2-CE2 3.49Å; Y14-W20 HydrophobicContact CE2-CE3 4.4Å; Y14-W20 AromaticContact CE2-CG 3.82Å; Y14-W20 HydrophobicContact CE2-CG 3.82Å; Y14-W20 AromaticContact CE2-CZ2 3.99Å; Y14-W20 HydrophobicContact CE2-CZ2 3.99Å; Y14-W20 AromaticContact CE2-NE1 3.54Å; Y14-H24 PolarHBondContact OH-CE1 2.93Å; Y14-H24 VanDerWaalsContact OH-CE1 3.22Å; Y14-Y48 WeakPolarHBondContact O-CE2 3.33Å; Y14-Y48 PolarHBondContact O-OH 3.19Å; Y14-D123 VanDerWaalsContact CB-CG 3.47Å; Y14-D123 WeakPolarHBondContact CB-OD2 3.46Å; Y14-G144 WeakPolarHBondContact O-CA 3.33Å
15T98.8Very high98.6Very high0 Ų031.3 Ų31.30%015%0.152CC..THydrogen-bonded Turntrans-105.9-58.1176.4-66.60000111.2F10 D11 L12 D13 Y48 I141 M145F10-T15 HydrophobicContact CD1-CG2 4.33Å; D11-T15 HydrophobicContact CB-CG2 4.42Å; D11-T15 WeakPolarHBondContact O-CB 3.34Å; D11-T15 VanDerWaalsContact O-CG2 3.31Å; D11-T15 WeakPolarHBondContact O-CG2 3.31Å; L12-T15 PolarHBondContact O-N 2.85Å; D13-T15 PolarHBondContact O-N 2.85Å; T15-Y48 VanDerWaalsContact O-CD2 3.31Å; T15-Y48 WeakPolarHBondContact O-CD2 3.17Å; T15-I141 HydrophobicContact CG2-CD1 3.94Å; T15-M145 WeakPolarHBondContact O-CB 3.36Å; T15-M145 PolarHBondContact O-N 3.27Å
16L98.8Very high98.6Very high1 Ų132.4 Ų32.41%0.00516%0.157CC..THydrogen-bonded Turntrans-94.1-28177.4-57.9-171.8000112.6F10 L12 L47 Y48 V51 L81 F90F10-L16 HydrophobicContact CB-CD2 4.33Å; F10-L16 HydrophobicContact CD1-CD2 4.11Å; F10-L16 HydrophobicContact CG-CD2 4.39Å; L12-L16 HydrophobicContact CD2-CD1 3.61Å; L12-L16 HydrophobicContact CD2-CG 4.38Å; L12-L16 PolarHBondContact O-N 3.17Å; L16-L47 CarbonylContact O-C 3.58Å; L16-L47 VanDerWaalsContact O-CA 3.31Å; L16-L47 WeakPolarHBondContact O-CA 3.23Å; L16-L47 WeakPolarHBondContact O-CB 3.27Å; L16-Y48 PolarHBondContact O-N 2.88Å; L16-V51 HydrophobicContact CB-CG1 4.42Å; L16-V51 HydrophobicContact CD2-CG1 3.95Å; L16-V51 HydrophobicContact CD2-CG2 4.27Å; L16-L81 HydrophobicContact CD1-CD2 4.32Å; L16-F90 HydrophobicContact CD1-CE2 4.29Å; L16-F90 HydrophobicContact CD1-CZ 3.82Å
17W98.8Very high98.6Very high0 Ų027.5 Ų27.50%014%0.138CC..BIsolated β-bridgetrans-138.7155176.954.562.9000111.3L12 D13 Y14 F19 V21 L47 Y48 A77 L80 L81L12-W17 HydrophobicContact CB-CH2 3.95Å; L12-W17 HydrophobicContact CB-CZ2 3.68Å; L12-W17 HydrophobicContact CD1-CH2 4.02Å; L12-W17 HydrophobicContact CD1-CZ2 4.34Å; L12-W17 HydrophobicContact CD2-CH2 4.41Å; L12-W17 HydrophobicContact CG-CH2 4.36Å; D13-W17 PolarHBondContact OD1-NE1 3.34Å; Y14-W17 WeakPolarHBondContact CA-O 3.33Å; Y14-W17 PolarHBondContact N-O 3.15Å; W17-F19 VanDerWaalsContact C-N 3.27Å; W17-F19 HydrophobicContact CB-CD1 4.13Å; W17-F19 HydrophobicContact CB-CE1 3.57Å; W17-F19 HydrophobicContact CB-CZ 3.94Å; W17-F19 AromaticContact CD1-CD1 3.9Å; W17-F19 AromaticContact CD1-CD2 3.81Å; W17-F19 AromaticContact CD1-CE1 3.73Å; W17-F19 AromaticContact CD1-CE2 3.62Å; W17-F19 AromaticContact CD1-CG 3.91Å; W17-F19 AromaticContact CD1-CZ 3.55Å; W17-F19 HydrophobicContact CD2-CE2 4.48Å; W17-F19 HydrophobicContact CD2-CZ 4.08Å; W17-F19 HydrophobicContact CG-CD1 4.25Å; W17-F19 AromaticContact CG-CE1 3.71Å; W17-F19 HydrophobicContact CG-CE1 3.71Å; W17-F19 HydrophobicContact CG-CE2 4.11Å; W17-F19 AromaticContact CG-CZ 3.59Å; W17-F19 HydrophobicContact CG-CZ 3.59Å; W17-F19 AromaticContact NE1-CE2 3.73Å; W17-F19 PolarHBondContact NE1-O 3.08Å; W17-F19 VanDerWaalsContact NE1-O 3.17Å; W17-F19 PolarHBondContact O-N 2.78Å; W17-F19 VanDerWaalsContact O-N 3.08Å; W17-V21 HydrophobicContact CZ2-CB 4.08Å; W17-V21 HydrophobicContact CZ2-CG1 4.25Å; W17-L47 HydrophobicContact CB-CD2 4.43Å; W17-L47 HydrophobicContact CE3-CD2 4.12Å; W17-Y48 WeakPolarHBondContact O-CE2 3.44Å; W17-A77 HydrophobicContact CH2-CB 4.35Å; W17-L80 HydrophobicContact CD2-CD1 4.31Å; W17-L80 HydrophobicContact CE3-CB 4.36Å; W17-L80 HydrophobicContact CE3-CD1 4.14Å; W17-L80 HydrophobicContact CH2-CB 4.04Å; W17-L80 HydrophobicContact CH2-CD1 3.94Å; W17-L80 HydrophobicContact CZ2-CD1 4.11Å; W17-L80 HydrophobicContact CZ3-CB 3.69Å; W17-L80 HydrophobicContact CZ3-CD1 3.96Å; W17-L81 HydrophobicContact CZ3-CD2 4.34Å
18P98.4Very high98.6Very high51 Ų5131.5 Ų31.533%0.33116%0.164SC..SBendtrans-8942.6-167.936.9-37.5000113.8R46 Y48P18-R46 WeakPolarHBondContact CD-O 3.33Å; P18-Y48 HydrophobicContact CB-CE1 3.89Å; P18-Y48 HydrophobicContact CB-CE2 4.2Å
19F98.5Very high98.6Very high17 Ų1731.8 Ų31.88%0.07517%0.165CC..SBendtrans-161.6163-178.559.2-90.8000112.1D13 W17 V21 H24 V25 V45 L80D13-F19 WeakPolarHBondContact CA-O 3.37Å; D13-F19 WeakPolarHBondContact CB-O 3.3Å; W17-F19 VanDerWaalsContact C-N 3.27Å; W17-F19 HydrophobicContact CB-CD1 4.13Å; W17-F19 HydrophobicContact CB-CE1 3.57Å; W17-F19 HydrophobicContact CB-CZ 3.94Å; W17-F19 AromaticContact CD1-CD1 3.9Å; W17-F19 AromaticContact CD1-CD2 3.81Å; W17-F19 AromaticContact CD1-CE1 3.73Å; W17-F19 AromaticContact CD1-CE2 3.62Å; W17-F19 AromaticContact CD1-CG 3.91Å; W17-F19 AromaticContact CD1-CZ 3.55Å; W17-F19 HydrophobicContact CD2-CE2 4.48Å; W17-F19 HydrophobicContact CD2-CZ 4.08Å; W17-F19 HydrophobicContact CG-CD1 4.25Å; W17-F19 AromaticContact CG-CE1 3.71Å; W17-F19 HydrophobicContact CG-CE1 3.71Å; W17-F19 HydrophobicContact CG-CE2 4.11Å; W17-F19 AromaticContact CG-CZ 3.59Å; W17-F19 HydrophobicContact CG-CZ 3.59Å; W17-F19 AromaticContact NE1-CE2 3.73Å; W17-F19 PolarHBondContact NE1-O 3.08Å; W17-F19 VanDerWaalsContact NE1-O 3.17Å; W17-F19 PolarHBondContact O-N 2.78Å; W17-F19 VanDerWaalsContact O-N 3.08Å; F19-V21 HydrophobicContact CE2-CB 4.18Å; F19-H24 HydrophobicContact CB-CB 3.87Å; F19-V25 HydrophobicContact CD2-CG1 3.99Å; F19-V25 HydrophobicContact CD2-CG2 4.01Å; F19-V25 HydrophobicContact CE2-CG1 3.98Å; F19-V25 HydrophobicContact CE2-CG2 3.75Å; F19-V25 HydrophobicContact CG-CG1 4.48Å; F19-V25 HydrophobicContact CZ-CG1 4.44Å; F19-V45 HydrophobicContact CE1-CG1 3.62Å; F19-V45 HydrophobicContact CE2-CG1 4.45Å; F19-V45 HydrophobicContact CZ-CG1 3.36Å; F19-L80 HydrophobicContact CE2-CD1 4.13Å; F19-L80 HydrophobicContact CZ-CD1 3.92Å
20W98.7Very high98.5Very high123 Ų12336 Ų3647%0.46619%0.185SC..  trans-82.9121.5161-63.3-53.5000111.4D13 Y14 D22 T23 H24D13-W20 HydrophobicContact CB-CG 4.48Å; D13-W20 WeakPolarHBondContact OD1-CA 3.33Å; Y14-W20 AromaticContact CD2-CD1 3.85Å; Y14-W20 HydrophobicContact CD2-CD2 4.45Å; Y14-W20 AromaticContact CD2-CE2 3.94Å; Y14-W20 HydrophobicContact CD2-CG 4.33Å; Y14-W20 AromaticContact CD2-NE1 3.54Å; Y14-W20 AromaticContact CE2-CD1 3.79Å; Y14-W20 AromaticContact CE2-CD2 3.7Å; Y14-W20 HydrophobicContact CE2-CD2 3.7Å; Y14-W20 AromaticContact CE2-CE2 3.49Å; Y14-W20 VanDerWaalsContact CE2-CE2 3.49Å; Y14-W20 HydrophobicContact CE2-CE3 4.4Å; Y14-W20 AromaticContact CE2-CG 3.82Å; Y14-W20 HydrophobicContact CE2-CG 3.82Å; Y14-W20 AromaticContact CE2-CZ2 3.99Å; Y14-W20 HydrophobicContact CE2-CZ2 3.99Å; Y14-W20 AromaticContact CE2-NE1 3.54Å; W20-D22 VanDerWaalsContact C-N 3.26Å; W20-D22 PolarHBondContact O-N 2.69Å; W20-T23 HydrophobicContact CE3-CG2 4.42Å; W20-T23 PolarHBondContact O-N 2.55Å; W20-H24 AromaticContact CD2-CE1 3.83Å; W20-H24 AromaticContact CE3-CE1 3.26Å; W20-H24 AromaticContact CE3-ND1 3.98Å; W20-H24 AromaticContact CZ3-CE1 3.94Å; W20-H24 PolarHBondContact N-ND1 2.85Å; W20-H24 PolarHBondContact O-N 3.44Å; W20-H24 PolarHBondContact O-ND1 3.34Å
21V98.6Very high98.5Very high0 Ų041.4 Ų41.40%021%0.209CC..THydrogen-bonded Turntrans-65.1-25.8-178.565.20000113.7D13 W17 F19 V25 F29 T71 E73 A77 L80D13-V21 WeakPolarHBondContact OD1-CG1 3.27Å; D13-V21 PolarHBondContact OD1-N 2.64Å; W17-V21 HydrophobicContact CZ2-CB 4.08Å; W17-V21 HydrophobicContact CZ2-CG1 4.25Å; F19-V21 HydrophobicContact CE2-CB 4.18Å; V21-V25 HydrophobicContact CG2-CG2 4.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.08Å; V21-F29 HydrophobicContact CG2-CE2 4.24Å; V21-F29 HydrophobicContact CG2-CZ 4.1Å; V21-T71 HydrophobicContact CG1-CG2 4.02Å; V21-T71 WeakPolarHBondContact CG1-OG1 3.46Å; V21-E73 HydrophobicContact CG1-CB 4.24Å; V21-E73 HydrophobicContact CG2-CG 4.16Å; V21-A77 HydrophobicContact CG1-CB 4.28Å; V21-L80 HydrophobicContact CG2-CD1 3.88Å
22D97.9Very high98.4Very high68 Ų6841.8 Ų41.836%0.36421%0.212SC..THydrogen-bonded Turntrans-89.30.5178.567.11.1000114.1W20 S72 E73W20-D22 VanDerWaalsContact C-N 3.26Å; W20-D22 PolarHBondContact O-N 2.69Å; D22-S72 PolarHBondContact OD2-OG 2.82Å; D22-E73 HydrophobicContact CB-CB 3.69Å
23T97.9Very high98.2Very high91 Ų9148.3 Ų48.356%0.55826%0.257SS*.THydrogen-bonded Turntrans-130.3-48.9-171.4-56.40000113.3W20W20-T23 HydrophobicContact CE3-CG2 4.42Å; W20-T23 PolarHBondContact O-N 2.55Å
24H98.6Very high98.1Very high75 Ų7552.1 Ų52.135%0.34728%0.278SS..SBendtrans-96.3-8-165.7-63.599.9000115Y14 F19 W20 Q43Y14-H24 PolarHBondContact OH-CE1 2.93Å; Y14-H24 VanDerWaalsContact OH-CE1 3.22Å; F19-H24 HydrophobicContact CB-CB 3.87Å; W20-H24 AromaticContact CD2-CE1 3.83Å; W20-H24 AromaticContact CE3-CE1 3.26Å; W20-H24 AromaticContact CE3-ND1 3.98Å; W20-H24 AromaticContact CZ3-CE1 3.94Å; W20-H24 PolarHBondContact N-ND1 2.85Å; W20-H24 PolarHBondContact O-N 3.44Å; W20-H24 PolarHBondContact O-ND1 3.34Å; H24-Q43 PolarHBondContact O-NE2 2.87Å; H24-Q43 PolarHBondContact O-OE1 2.67Å
25V98.5Very high97.9Very high14 Ų1451.2 Ų51.29%0.08529%0.288CS..SBendtrans-137161.3-176-67.60000108.8F19 V21 F29 D39 V45F19-V25 HydrophobicContact CD2-CG1 3.99Å; F19-V25 HydrophobicContact CD2-CG2 4.01Å; F19-V25 HydrophobicContact CE2-CG1 3.98Å; F19-V25 HydrophobicContact CE2-CG2 3.75Å; F19-V25 HydrophobicContact CG-CG1 4.48Å; F19-V25 HydrophobicContact CZ-CG1 4.44Å; V21-V25 HydrophobicContact CG2-CG2 4.23Å; V21-V25 WeakPolarHBondContact O-CG2 3.08Å; V25-F29 HydrophobicContact CB-CE1 3.97Å; V25-F29 HydrophobicContact CB-CZ 4.23Å; V25-F29 HydrophobicContact CG2-CE1 3.87Å; V25-F29 HydrophobicContact CG2-CZ 3.63Å; V25-D39 HydrophobicContact CB-CB 4.4Å; V25-V45 HydrophobicContact CG1-CG2 4.16Å
26D98.5Very high97.9Very high27 Ų2753.3 Ų53.314%0.14430%0.301CS..  trans-124.291.8-173.6-160.6-3.1000110.7D39 R40 R41D26-D39 PolarHBondContact N-OD2 2.77Å; D26-D39 WeakPolarHBondContact O-CB 3.49Å; D26-R40 HydrophobicContact CB-CG 3.96Å; D26-R40 VanDerWaalsContact CG-NH2 3.33Å; D26-R40 WeakPolarHBondContact O-CB 3.36Å; D26-R40 VanDerWaalsContact O-CG 3.26Å; D26-R40 WeakPolarHBondContact O-CG 3.5Å; D26-R40 PolarHBondContact O-N 3.02Å; D26-R40 WeakPolarHBondContact OD1-CD 3.25Å; D26-R40 IonicContact OD1-CZ 3.28Å; D26-R40 IonicContact OD1-NE 2.7Å; D26-R40 PolarHBondContact OD1-NE 3.2Å; D26-R40 IonicContact OD1-NH1 3.42Å; D26-R40 PolarHBondContact OD1-NH1 3.44Å; D26-R40 IonicContact OD1-NH2 2.75Å; D26-R40 PolarHBondContact OD1-NH2 3.28Å; D26-R40 VanDerWaalsContact OD1-NH2 3.13Å; D26-R40 IonicContact OD2-CZ 3.13Å; D26-R40 IonicContact OD2-NE 3.98Å; D26-R40 PolarHBondContact OD2-NE 3.31Å; D26-R40 IonicContact OD2-NH2 3.47Å; D26-R40 PolarHBondContact OD2-NH2 3.4Å; D26-R41 HydrophobicContact CB-CG 4.1Å; D26-R41 IonicContact OD2-CZ 3.03Å; D26-R41 VanDerWaalsContact OD2-CZ 3.32Å; D26-R41 IonicContact OD2-NE 2.97Å; D26-R41 PolarHBondContact OD2-NE 3.07Å; D26-R41 IonicContact OD2-NH2 2.74Å; D26-R41 PolarHBondContact OD2-NH2 3.1Å
27P97.6Very high97.9Very high25 Ų2553.5 Ų53.516%0.16230%0.302CS..SBendtrans-57.7159.7178.1-20.430.2000113.4F29 R40 E73P27-F29 HydrophobicContact CB-CD2 4.43Å; P27-F29 HydrophobicContact CB-CE2 3.95Å; P27-F29 HydrophobicContact CB-CZ 4.25Å; P27-F29 HydrophobicContact CG-CE2 3.8Å; P27-F29 HydrophobicContact CG-CZ 3.79Å; P27-R40 WeakPolarHBondContact O-CD 3.42Å; P27-E73 HydrophobicContact CG-CG 3.78Å
28P98.4Very high97.9Very high83 Ų8356.1 Ų56.154%0.53931%0.312SS..PPolyproline II helixcis-78.9162.92.833.4-36.3000112.6R40P28-R40 PolarHBondContact O-N 3.34Å
29F98.7Very high97.9Very high6 Ų653.7 Ų53.73%0.02630%0.296CS..PPolyproline II helixtrans-96.4158.5176-53.4-76.1000111.6V21 V25 P27 V37 R38 D39 V45 Q79 L80 L83V21-F29 HydrophobicContact CG2-CE2 4.24Å; V21-F29 HydrophobicContact CG2-CZ 4.1Å; V25-F29 HydrophobicContact CB-CE1 3.97Å; V25-F29 HydrophobicContact CB-CZ 4.23Å; V25-F29 HydrophobicContact CG2-CE1 3.87Å; V25-F29 HydrophobicContact CG2-CZ 3.63Å; P27-F29 HydrophobicContact CB-CD2 4.43Å; P27-F29 HydrophobicContact CB-CE2 3.95Å; P27-F29 HydrophobicContact CB-CZ 4.25Å; P27-F29 HydrophobicContact CG-CE2 3.8Å; P27-F29 HydrophobicContact CG-CZ 3.79Å; F29-V37 HydrophobicContact CB-CG1 4.13Å; F29-R38 CarbonylContact C-O 3.53Å; F29-R38 VanDerWaalsContact CA-O 3.25Å; F29-R38 WeakPolarHBondContact CA-O 3.26Å; F29-D39 HydrophobicContact CD1-CB 3.78Å; F29-D39 HydrophobicContact CE1-CB 3.7Å; F29-V45 HydrophobicContact CD1-CG2 4Å; F29-V45 HydrophobicContact CE1-CG2 3.94Å; F29-Q79 HydrophobicContact CB-CG 4.48Å; F29-Q79 HydrophobicContact CD2-CB 4.39Å; F29-Q79 PolarHBondContact O-NE2 3.41Å; F29-L80 HydrophobicContact CB-CD2 4.09Å; F29-L80 HydrophobicContact CD1-CD2 3.72Å; F29-L80 HydrophobicContact CD2-CD1 4.48Å; F29-L80 HydrophobicContact CD2-CD2 3.53Å; F29-L80 HydrophobicContact CD2-CG 3.68Å; F29-L80 HydrophobicContact CE1-CD2 4.01Å; F29-L80 HydrophobicContact CE2-CD1 3.96Å; F29-L80 HydrophobicContact CE2-CD2 3.83Å; F29-L80 HydrophobicContact CE2-CG 3.62Å; F29-L80 HydrophobicContact CG-CD2 3.48Å; F29-L80 VanDerWaalsContact CG-CD2 3.48Å; F29-L80 HydrophobicContact CG-CG 4.17Å; F29-L80 HydrophobicContact CZ-CD1 3.98Å; F29-L80 HydrophobicContact CZ-CD2 4.06Å; F29-L80 HydrophobicContact CZ-CG 4.07Å; F29-L83 HydrophobicContact CB-CD1 3.49Å; F29-L83 VanDerWaalsContact CB-CD1 3.49Å
30H98.4Very high97.9Very high89 Ų8960.4 Ų60.441%0.41232%0.321SS..EExtended strand (participates in β ladder)trans-147.5155.3170.965.7-74.4000110.5S32 V37 R38H30-S32 PolarHBondContact NE2-OG 3.32Å; H30-V37 WeakPolarHBondContact O-CA 3.26Å; H30-R38 PolarHBondContact N-O 3.23Å; H30-R38 PolarHBondContact ND1-O 3.01Å; H30-R38 PolarHBondContact O-N 3.48Å
31K97.9Very high97.8Very high114 Ų11463.6 Ų63.650%0.49633%0.333SS..EExtended strand (participates in β ladder)trans-88.1117.2170.3-170.1169.4-72.8175.20108.6L83K31-L83 HydrophobicContact CB-CD2 4.27Å; K31-L83 WeakPolarHBondContact CE-O 3.36Å; K31-L83 PolarHBondContact NZ-O 2.97Å
32S96.9Very high97.8Very high18 Ų1865.5 Ų65.513%0.12635%0.353CS..  trans-71.3164.2174.9-75.40000111.5H30 D34 G35 T36 R38H30-S32 PolarHBondContact NE2-OG 3.32Å; S32-D34 WeakPolarHBondContact CB-OD1 3.46Å; S32-D34 PolarHBondContact O-N 3.11Å; S32-G35 PolarHBondContact O-N 3.32Å; S32-T36 WeakPolarHBondContact CB-O 3.46Å; S32-T36 PolarHBondContact N-O 3.09Å; S32-R38 WeakPolarHBondContact OG-CD 3.39Å; S32-R38 PolarHBondContact OG-NH1 3.45Å
33S95.5Very high97.8Very high137 Ų13766.5 Ų66.596%0.95836%0.355SS*.THydrogen-bonded Turntrans-63.1-22.6-179.254.90000114.1G35S33-G35 PolarHBondContact O-N 2.93Å
34D96.2Very high97.8Very high91 Ų9166.5 Ų66.549%0.48735%0.352SS..THydrogen-bonded Turntrans-80.7-0.8173.761.14.3000113.2S32 T36 R38S32-D34 WeakPolarHBondContact CB-OD1 3.46Å; S32-D34 PolarHBondContact O-N 3.11Å; D34-T36 VanDerWaalsContact C-N 3.32Å; D34-T36 VanDerWaalsContact OD1-CB 3.29Å; D34-T36 WeakPolarHBondContact OD1-CB 3.32Å; D34-T36 PolarHBondContact OD1-N 2.91Å; D34-T36 PolarHBondContact OD1-OG1 3.09Å; D34-R38 IonicContact OD1-NH1 3.52Å; D34-R38 PolarHBondContact OD1-NH1 3.3Å; D34-R38 IonicContact OD2-CZ 2.73Å; D34-R38 IonicContact OD2-NH1 3.32Å; D34-R38 PolarHBondContact OD2-NH1 3.5Å; D34-R38 VanDerWaalsContact OD2-NH1 3.08Å; D34-R38 IonicContact OD2-NH2 3.48Å; D34-R38 PolarHBondContact OD2-NH2 3.07Å
35G94.9Very high97.8Very high46 Ų4663.2 Ų63.247%0.47434%0.337SS..SBendtrans87.3-7.2-178.100000114.6S32 S33S32-G35 PolarHBondContact O-N 3.32Å; S33-G35 PolarHBondContact O-N 2.93Å
36T97.6Very high97.8Very high44 Ų4471.3 Ų71.327%0.2737%0.366SS..  trans-74.2138.6179.2-52.70000110.6S32 D34 R38 D44S32-T36 WeakPolarHBondContact CB-O 3.46Å; S32-T36 PolarHBondContact N-O 3.09Å; D34-T36 VanDerWaalsContact C-N 3.32Å; D34-T36 VanDerWaalsContact OD1-CB 3.29Å; D34-T36 WeakPolarHBondContact OD1-CB 3.32Å; D34-T36 PolarHBondContact OD1-N 2.91Å; D34-T36 PolarHBondContact OD1-OG1 3.09Å; T36-R38 HydrophobicContact CG2-CG 4.3Å; T36-D44 HydrophobicContact CG2-CB 4.06Å
37V98.6Very high97.8Very high4 Ų471.1 Ų71.12%0.02437%0.365CS..EExtended strand (participates in β ladder)trans-83.9130.3170.2178.40000108.4F29 H30 V45 L80 L83 F84F29-V37 HydrophobicContact CB-CG1 4.13Å; H30-V37 WeakPolarHBondContact O-CA 3.26Å; V37-V45 HydrophobicContact CB-CB 4.4Å; V37-V45 HydrophobicContact CG1-CB 4.15Å; V37-V45 PolarHBondContact O-N 3.44Å; V37-L80 HydrophobicContact CG1-CD2 4Å; V37-L83 HydrophobicContact CG1-CB 4.41Å; V37-L83 HydrophobicContact CG1-CD1 3.88Å; V37-L83 HydrophobicContact CG2-CB 3.98Å; V37-F84 HydrophobicContact CB-CE1 3.91Å; V37-F84 HydrophobicContact CB-CZ 3.83Å; V37-F84 HydrophobicContact CG1-CZ 4.23Å; V37-F84 HydrophobicContact CG2-CD1 3.99Å; V37-F84 HydrophobicContact CG2-CE1 3.54Å; V37-F84 HydrophobicContact CG2-CZ 3.91Å
38R98.7Very high97.9Very high56 Ų5671.8 Ų71.821%0.21136%0.364CS..EExtended strand (participates in β ladder)trans-128.4147.3179-65.8-172.2175.4109.75.4111.5F29 H30 S32 D34 T36 Q43 D44F29-R38 CarbonylContact C-O 3.53Å; F29-R38 VanDerWaalsContact CA-O 3.25Å; F29-R38 WeakPolarHBondContact CA-O 3.26Å; H30-R38 PolarHBondContact N-O 3.23Å; H30-R38 PolarHBondContact ND1-O 3.01Å; H30-R38 PolarHBondContact O-N 3.48Å; S32-R38 WeakPolarHBondContact OG-CD 3.39Å; S32-R38 PolarHBondContact OG-NH1 3.45Å; D34-R38 IonicContact OD1-NH1 3.52Å; D34-R38 PolarHBondContact OD1-NH1 3.3Å; D34-R38 IonicContact OD2-CZ 2.73Å; D34-R38 IonicContact OD2-NH1 3.32Å; D34-R38 PolarHBondContact OD2-NH1 3.5Å; D34-R38 VanDerWaalsContact OD2-NH1 3.08Å; D34-R38 IonicContact OD2-NH2 3.48Å; D34-R38 PolarHBondContact OD2-NH2 3.07Å; T36-R38 HydrophobicContact CG2-CG 4.3Å; R38-Q43 VanDerWaalsContact CA-O 3.26Å; R38-Q43 WeakPolarHBondContact CA-O 3.43Å; R38-D44 IonicContact CZ-OD1 3.02Å; R38-D44 IonicContact NE-OD1 2.71Å; R38-D44 PolarHBondContact NE-OD1 3.22Å; R38-D44 IonicContact NH2-OD1 2.71Å; R38-D44 PolarHBondContact NH2-OD1 2.87Å
39D98.6Very high97.9Very high0 Ų073.5 Ų73.50%038%0.376CS..  trans-78.2-177.3169.785.3-10.5000111.6V25 D26 F29 R41 G42 Q43 V45V25-D39 HydrophobicContact CB-CB 4.4Å; D26-D39 PolarHBondContact N-OD2 2.77Å; D26-D39 WeakPolarHBondContact O-CB 3.49Å; F29-D39 HydrophobicContact CD1-CB 3.78Å; F29-D39 HydrophobicContact CE1-CB 3.7Å; D39-R41 PolarHBondContact O-N 2.99Å; D39-R41 WeakPolarHBondContact OD1-CA 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.19Å; D39-R41 PolarHBondContact OD1-N 3.41Å; D39-G42 PolarHBondContact O-N 2.81Å; D39-G42 VanDerWaalsContact O-N 3.11Å; D39-G42 PolarHBondContact OD1-N 3.22Å; D39-Q43 PolarHBondContact N-O 3.04Å; D39-Q43 VanDerWaalsContact N-O 3.11Å; D39-Q43 WeakPolarHBondContact OD1-CB 3.43Å; D39-Q43 PolarHBondContact OD1-N 3.26Å; D39-V45 HydrophobicContact CB-CG2 4.43Å
40R98.2Very high97.9Very high158 Ų15876.7 Ų76.760%0.59639%0.391SS*.THydrogen-bonded Turntrans-67.4-18.1-178.386.7-176.7-165.7-168.6-14.3113.9D26 P27 P28D26-R40 HydrophobicContact CB-CG 3.96Å; D26-R40 VanDerWaalsContact CG-NH2 3.33Å; D26-R40 WeakPolarHBondContact O-CB 3.36Å; D26-R40 VanDerWaalsContact O-CG 3.26Å; D26-R40 WeakPolarHBondContact O-CG 3.5Å; D26-R40 PolarHBondContact O-N 3.02Å; D26-R40 WeakPolarHBondContact OD1-CD 3.25Å; D26-R40 IonicContact OD1-CZ 3.28Å; D26-R40 IonicContact OD1-NE 2.7Å; D26-R40 PolarHBondContact OD1-NE 3.2Å; D26-R40 IonicContact OD1-NH1 3.42Å; D26-R40 PolarHBondContact OD1-NH1 3.44Å; D26-R40 IonicContact OD1-NH2 2.75Å; D26-R40 PolarHBondContact OD1-NH2 3.28Å; D26-R40 VanDerWaalsContact OD1-NH2 3.13Å; D26-R40 IonicContact OD2-CZ 3.13Å; D26-R40 IonicContact OD2-NE 3.98Å; D26-R40 PolarHBondContact OD2-NE 3.31Å; D26-R40 IonicContact OD2-NH2 3.47Å; D26-R40 PolarHBondContact OD2-NH2 3.4Å; P27-R40 WeakPolarHBondContact O-CD 3.42Å; P28-R40 PolarHBondContact O-N 3.34Å
41R98Very high97.9Very high190 Ų19072.5 Ų72.572%0.71737%0.371SS*.THydrogen-bonded Turntrans-92.9-1.3177.3-62.9-173.8-175.1-1453.3112.5D26 D39 Q43D26-R41 HydrophobicContact CB-CG 4.1Å; D26-R41 IonicContact OD2-CZ 3.03Å; D26-R41 VanDerWaalsContact OD2-CZ 3.32Å; D26-R41 IonicContact OD2-NE 2.97Å; D26-R41 PolarHBondContact OD2-NE 3.07Å; D26-R41 IonicContact OD2-NH2 2.74Å; D26-R41 PolarHBondContact OD2-NH2 3.1Å; D39-R41 PolarHBondContact O-N 2.99Å; D39-R41 WeakPolarHBondContact OD1-CA 3.28Å; D39-R41 WeakPolarHBondContact OD1-CB 3.19Å; D39-R41 PolarHBondContact OD1-N 3.41Å; R41-Q43 VanDerWaalsContact C-N 3.34Å
42G97.6Very high97.9Very high40 Ų4069.8 Ų69.841%0.41237%0.365SS..  trans80.315-176.600000113.5D39D39-G42 PolarHBondContact O-N 2.81Å; D39-G42 VanDerWaalsContact O-N 3.11Å; D39-G42 PolarHBondContact OD1-N 3.22Å
43Q98.3Very high98Very high89 Ų8973.9 Ų73.942%0.41638%0.382SS..  trans-71.3129.4173.5-178.7176.8-18.200109.8H24 R38 D39 R41 V45H24-Q43 PolarHBondContact O-NE2 2.87Å; H24-Q43 PolarHBondContact O-OE1 2.67Å; R38-Q43 VanDerWaalsContact CA-O 3.26Å; R38-Q43 WeakPolarHBondContact CA-O 3.43Å; D39-Q43 PolarHBondContact N-O 3.04Å; D39-Q43 VanDerWaalsContact N-O 3.11Å; D39-Q43 WeakPolarHBondContact OD1-CB 3.43Å; D39-Q43 PolarHBondContact OD1-N 3.26Å; R41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-V45 PolarHBondContact O-N 2.96Å
44D98.3Very high98.2Very high91 Ų9167.4 Ų67.449%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-67.6126.6175.7-71.7-7000110.7T36 R38T36-D44 HydrophobicContact CG2-CB 4.06Å; R38-D44 IonicContact CZ-OD1 3.02Å; R38-D44 IonicContact NE-OD1 2.71Å; R38-D44 PolarHBondContact NE-OD1 3.22Å; R38-D44 IonicContact NH2-OD1 2.71Å; R38-D44 PolarHBondContact NH2-OD1 2.87Å
45V98.6Very high98.3Very high5 Ų563.2 Ų63.23%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-109.6131.4177.5-174.60000108.8F19 V25 F29 V37 D39 Q43 L80 F84F19-V45 HydrophobicContact CE1-CG1 3.62Å; F19-V45 HydrophobicContact CE2-CG1 4.45Å; F19-V45 HydrophobicContact CZ-CG1 3.36Å; V25-V45 HydrophobicContact CG1-CG2 4.16Å; F29-V45 HydrophobicContact CD1-CG2 4Å; F29-V45 HydrophobicContact CE1-CG2 3.94Å; V37-V45 HydrophobicContact CB-CB 4.4Å; V37-V45 HydrophobicContact CG1-CB 4.15Å; V37-V45 PolarHBondContact O-N 3.44Å; D39-V45 HydrophobicContact CB-CG2 4.43Å; Q43-V45 PolarHBondContact O-N 2.96Å; V45-L80 HydrophobicContact CG1-CD1 4.32Å; V45-L80 HydrophobicContact CG1-CD2 3.82Å; V45-F84 HydrophobicContact CB-CZ 4.42Å; V45-F84 HydrophobicContact CG1-CE2 4.08Å; V45-F84 HydrophobicContact CG1-CZ 3.98Å; V45-F84 WeakPolarHBondContact O-CZ 3.47Å
46R98.4Very high98.5Very high185 Ų18567.5 Ų67.570%0.69832%0.32SS*.  trans-143151.6-178.457-176.9157.7-174.1-6.3111.7P18P18-R46 WeakPolarHBondContact CD-O 3.33Å
47L98.8Very high98.5Very high23 Ų2371.7 Ų71.712%0.1233%0.331CS..  trans-75.1168.8167.9-57.9175.4000110.8L16 W17 V51 P52 F84 L86L16-L47 CarbonylContact O-C 3.58Å; L16-L47 VanDerWaalsContact O-CA 3.31Å; L16-L47 WeakPolarHBondContact O-CA 3.23Å; L16-L47 WeakPolarHBondContact O-CB 3.27Å; W17-L47 HydrophobicContact CB-CD2 4.43Å; W17-L47 HydrophobicContact CE3-CD2 4.12Å; L47-V51 HydrophobicContact CB-CB 4.28Å; L47-V51 HydrophobicContact CD1-CB 4.35Å; L47-V51 HydrophobicContact CD1-CG1 4.03Å; L47-P52 HydrophobicContact CD1-CG 4.17Å; L47-F84 HydrophobicContact CD1-CB 4.02Å; L47-F84 HydrophobicContact CD1-CD1 4.25Å; L47-F84 HydrophobicContact CD1-CD2 4.49Å; L47-F84 HydrophobicContact CD1-CG 4.02Å; L47-F84 HydrophobicContact CD2-CB 4.47Å; L47-F84 HydrophobicContact CD2-CD2 3.62Å; L47-F84 HydrophobicContact CD2-CE2 3.94Å; L47-F84 HydrophobicContact CD2-CG 4.01Å; L47-F84 HydrophobicContact CG-CB 4.4Å; L47-F84 HydrophobicContact CG-CD1 4.07Å; L47-F84 HydrophobicContact CG-CD2 3.96Å; L47-F84 HydrophobicContact CG-CE1 4.33Å; L47-F84 HydrophobicContact CG-CE2 4.22Å; L47-F84 HydrophobicContact CG-CG 3.89Å; L47-F84 HydrophobicContact CG-CZ 4.41Å; L47-L86 HydrophobicContact CD1-CD1 3.85Å; L47-L86 HydrophobicContact CD1-CD2 4.19Å; L47-L86 HydrophobicContact CD1-CG 4.38Å; L47-L86 HydrophobicContact CD2-CD1 3.98Å
48Y98.8Very high98.5Very high39 Ų3971.7 Ų71.715%0.15333%0.331CS..  trans-61.3141.1155.9-70.9-79.5000109.8Y14 T15 L16 W17 P18 E50 V51 N143Y14-Y48 WeakPolarHBondContact O-CE2 3.33Å; Y14-Y48 PolarHBondContact O-OH 3.19Å; T15-Y48 VanDerWaalsContact O-CD2 3.31Å; T15-Y48 WeakPolarHBondContact O-CD2 3.17Å; L16-Y48 PolarHBondContact O-N 2.88Å; W17-Y48 WeakPolarHBondContact O-CE2 3.44Å; P18-Y48 HydrophobicContact CB-CE1 3.89Å; P18-Y48 HydrophobicContact CB-CE2 4.2Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.08Å; Y48-E50 VanDerWaalsContact O-N 3.15Å; Y48-V51 WeakPolarHBondContact O-CB 3.47Å; Y48-V51 PolarHBondContact O-N 3.17Å; Y48-V51 VanDerWaalsContact O-N 3.15Å; Y48-N143 WeakPolarHBondContact CE1-O 3.49Å
49P98.6Very high98.4Very high119 Ų11974.2 Ų74.277%0.77335%0.345SS*.THydrogen-bonded Turntrans-55.6-40.1-165.1-29.135.7000115.1
50E98.7Very high98.4Very high73 Ų7378 Ų7834%0.34137%0.371SS..THydrogen-bonded Turntrans-92.21.6-173-64-177.4-169.200113.6Y48 E53 V54 N146 L147Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 3.08Å; Y48-E50 VanDerWaalsContact O-N 3.15Å; E50-E53 PolarHBondContact O-N 2.95Å; E50-E53 VanDerWaalsContact O-N 3.08Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.44Å; E50-N146 HydrophobicContact CB-CB 4.31Å; E50-N146 WeakPolarHBondContact OE2-CB 3.45Å; E50-L147 HydrophobicContact CB-CG 4.39Å; E50-L147 VanDerWaalsContact OE2-CB 3.29Å; E50-L147 WeakPolarHBondContact OE2-CB 3.41Å; E50-L147 WeakPolarHBondContact OE2-CG 3.39Å; E50-L147 PolarHBondContact OE2-N 3.42Å
51V98.8Very high98.4Very high0 Ų073 Ų730%036%0.356CS..Hα-helixtrans-55.9-45.5-179164.60000113.1L16 L47 Y48 E53 V54 L55 L86 M145L16-V51 HydrophobicContact CB-CG1 4.42Å; L16-V51 HydrophobicContact CD2-CG1 3.95Å; L16-V51 HydrophobicContact CD2-CG2 4.27Å; L47-V51 HydrophobicContact CB-CB 4.28Å; L47-V51 HydrophobicContact CD1-CB 4.35Å; L47-V51 HydrophobicContact CD1-CG1 4.03Å; Y48-V51 WeakPolarHBondContact O-CB 3.47Å; Y48-V51 PolarHBondContact O-N 3.17Å; Y48-V51 VanDerWaalsContact O-N 3.15Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.29Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-L55 HydrophobicContact CG1-CD1 4.14Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 2.94Å; V51-L86 HydrophobicContact CG1-CD1 4.28Å; V51-M145 HydrophobicContact CG2-CB 4.11Å
52P98.5Very high98.4Very high57 Ų5767.1 Ų67.137%0.3735%0.354SS..Hα-helixtrans-58.4-38.5176.1-25.836.2000112.9L47 K56L47-P52 HydrophobicContact CD1-CG 4.17Å; P52-K56 VanDerWaalsContact O-CB 3.26Å; P52-K56 WeakPolarHBondContact O-CB 3.45Å; P52-K56 PolarHBondContact O-N 3.38Å
53E98.7Very high98.4Very high105 Ų10565.5 Ų65.549%0.49134%0.337SS..Hα-helixtrans-74.4-36.7-179.4-71.3146.7177.400112.1E50 V51 K56 R57 L147E50-E53 PolarHBondContact O-N 2.95Å; E50-E53 VanDerWaalsContact O-N 3.08Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.29Å; E53-K56 PolarHBondContact O-N 3.45Å; E53-R57 VanDerWaalsContact O-CB 3.26Å; E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 PolarHBondContact O-N 2.94Å; E53-L147 HydrophobicContact CB-CD1 4.36Å; E53-L147 HydrophobicContact CB-CD2 4.26Å
54V98.8Very high98.3Very high1 Ų163.5 Ų63.51%0.00633%0.332CS..Hα-helixtrans-57.6-50.5171.7164.20000110.8F10 E50 V51 R57 L58 M145 L147 L150F10-V54 HydrophobicContact CE1-CG1 4.26Å; F10-V54 HydrophobicContact CZ-CG1 4.2Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.44Å; V51-V54 PolarHBondContact O-N 3.39Å; V54-R57 WeakPolarHBondContact O-CB 3.29Å; V54-R57 PolarHBondContact O-N 2.98Å; V54-L58 PolarHBondContact O-N 3.41Å; V54-L58 VanDerWaalsContact O-N 3.09Å; V54-M145 HydrophobicContact CB-CG 4.43Å; V54-M145 HydrophobicContact CG1-CE 3.71Å; V54-M145 HydrophobicContact CG1-CG 3.79Å; V54-M145 HydrophobicContact CG2-CE 4.45Å; V54-M145 HydrophobicContact CG2-CG 4.21Å; V54-L147 HydrophobicContact CG2-CD2 4.07Å; V54-L147 HydrophobicContact CG2-CG 4.31Å; V54-L150 HydrophobicContact CG1-CB 4.39Å; V54-L150 HydrophobicContact CG1-CD1 4.45Å; V54-L150 HydrophobicContact CG1-CD2 4.14Å; V54-L150 HydrophobicContact CG2-CB 4.42Å
55L98.7Very high98.3Very high3 Ų359.4 Ų59.42%0.01631%0.311CS..Hα-helixtrans-68.3-40.8-179.2-64.8175.9000111.7F10 V51 R57 L58 Q59 L86 Y89 F90F10-L55 HydrophobicContact CD2-CD2 4.31Å; F10-L55 HydrophobicContact CE2-CD2 3.89Å; F10-L55 HydrophobicContact CZ-CD2 4.17Å; V51-L55 HydrophobicContact CG1-CD1 4.14Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 2.94Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.84Å; L55-L58 PolarHBondContact O-N 3.07Å; L55-Q59 PolarHBondContact O-N 2.99Å; L55-L86 HydrophobicContact CD1-CB 4.42Å; L55-L86 HydrophobicContact CD1-CD1 4.29Å; L55-L86 HydrophobicContact CD1-CD2 3.96Å; L55-L86 HydrophobicContact CD1-CG 4.45Å; L55-Y89 HydrophobicContact CB-CD1 3.94Å; L55-Y89 HydrophobicContact CB-CD2 3.91Å; L55-Y89 HydrophobicContact CB-CE1 4.35Å; L55-Y89 HydrophobicContact CB-CE2 4.33Å; L55-Y89 HydrophobicContact CB-CG 3.71Å; L55-Y89 HydrophobicContact CD1-CD2 3.96Å; L55-Y89 HydrophobicContact CD1-CG 4.28Å; L55-F90 HydrophobicContact CD1-CE2 4.22Å; L55-F90 HydrophobicContact CD1-CZ 4.06Å; L55-F90 HydrophobicContact CD2-CE1 4.26Å; L55-F90 HydrophobicContact CD2-CZ 4.03Å
56K98.4Very high98.3Very high135 Ų13559.2 Ų59.259%0.58731%0.309SS*.Hα-helixtrans-60.2-39.2172.7-174.2179.2-178.5-179.70111.9P52 E53 Q59 S60P52-K56 VanDerWaalsContact O-CB 3.26Å; P52-K56 WeakPolarHBondContact O-CB 3.45Å; P52-K56 PolarHBondContact O-N 3.38Å; E53-K56 PolarHBondContact O-N 3.45Å; K56-Q59 PolarHBondContact O-N 2.82Å; K56-S60 PolarHBondContact O-N 3.47Å
57R98.5Very high98.4Very high133 Ų13350.4 Ų50.450%0.50228%0.276SS..Hα-helixtrans-63.8-46.4177.4-178.557.2173.8172.7-3.2111.2E53 V54 L55 Q59 S60 L61 L150E53-R57 VanDerWaalsContact O-CB 3.26Å; E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 PolarHBondContact O-N 2.94Å; V54-R57 WeakPolarHBondContact O-CB 3.29Å; V54-R57 PolarHBondContact O-N 2.98Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.84Å; R57-Q59 VanDerWaalsContact C-N 3.35Å; R57-Q59 PolarHBondContact O-N 3.45Å; R57-S60 PolarHBondContact O-N 3.48Å; R57-S60 PolarHBondContact O-OG 2.8Å; R57-L61 HydrophobicContact CG-CD1 4.24Å; R57-L61 WeakPolarHBondContact O-CG 3.11Å; R57-L61 PolarHBondContact O-N 3.38Å; R57-L61 VanDerWaalsContact O-N 3.1Å; R57-L150 HydrophobicContact CB-CD2 3.9Å; R57-L150 HydrophobicContact CG-CD2 3.79Å
58L98.4Very high98.4Very high3 Ų349.3 Ų49.32%0.01627%0.27CS..Hα-helixtrans-59.9-44.5175.3-77.1170.1000112.2A8 F10 V54 L55 S60 L61 G62 V63 L150A8-L58 HydrophobicContact CB-CD1 3.64Å; A8-L58 HydrophobicContact CB-CD2 4.04Å; A8-L58 HydrophobicContact CB-CG 4.49Å; F10-L58 HydrophobicContact CE2-CD1 3.6Å; F10-L58 HydrophobicContact CZ-CD1 3.45Å; F10-L58 VanDerWaalsContact CZ-CD1 3.45Å; V54-L58 PolarHBondContact O-N 3.41Å; V54-L58 VanDerWaalsContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 3.07Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.39Å; L58-L61 CarbonylContact O-C 3.57Å; L58-L61 PolarHBondContact O-N 3.48Å; L58-L61 VanDerWaalsContact O-N 3.07Å; L58-G62 PolarHBondContact O-N 3.46Å; L58-V63 CarbonylContact C-O 3.46Å; L58-V63 HydrophobicContact CB-CB 4.41Å; L58-V63 HydrophobicContact CD2-CB 3.84Å; L58-V63 HydrophobicContact CD2-CG1 3.85Å; L58-V63 HydrophobicContact CD2-CG2 4.36Å; L58-V63 PolarHBondContact O-N 3.27Å; L58-L150 HydrophobicContact CD1-CD1 4.15Å; L58-L150 HydrophobicContact CD2-CD1 3.93Å; L58-L150 HydrophobicContact CG-CD1 3.97Å; L58-L150 HydrophobicContact CG-CD2 4.4Å
59Q97.5Very high98.4Very high109 Ų10947.4 Ų47.451%0.50926%0.263SS..Hα-helixtrans-59-43.9175.1-170.2-17946.700111.8L55 K56 R57 L61 G62 Y89L55-Q59 PolarHBondContact O-N 2.99Å; K56-Q59 PolarHBondContact O-N 2.82Å; R57-Q59 VanDerWaalsContact C-N 3.35Å; R57-Q59 PolarHBondContact O-N 3.45Å; Q59-L61 PolarHBondContact O-N 3.4Å; Q59-G62 PolarHBondContact O-N 2.97Å; Q59-Y89 HydrophobicContact CB-CD1 4.25Å; Q59-Y89 HydrophobicContact CB-CE1 4.37Å
60S97.9Very high98.4Very high79 Ų7945.8 Ų45.855%0.55224%0.242SC*.Hα-helixtrans-64.2-24.117777.30000113.9K56 R57 L58 G62K56-S60 PolarHBondContact O-N 3.47Å; R57-S60 PolarHBondContact O-N 3.48Å; R57-S60 PolarHBondContact O-OG 2.8Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 3.39Å; S60-G62 VanDerWaalsContact C-N 3.32Å
61L97.7Very high98.4Very high54 Ų5442.5 Ų42.528%0.28323%0.227SC..THydrogen-bonded Turntrans-88.2-0.9175.5-67.2171.3000112.4L4 R57 L58 Q59 V63 L154L4-L61 HydrophobicContact CD1-CB 4.1Å; L4-L61 HydrophobicContact CD1-CD2 4.4Å; L4-L61 HydrophobicContact CD2-CD1 4.35Å; R57-L61 HydrophobicContact CG-CD1 4.24Å; R57-L61 WeakPolarHBondContact O-CG 3.11Å; R57-L61 PolarHBondContact O-N 3.38Å; R57-L61 VanDerWaalsContact O-N 3.1Å; L58-L61 CarbonylContact O-C 3.57Å; L58-L61 PolarHBondContact O-N 3.48Å; L58-L61 VanDerWaalsContact O-N 3.07Å; Q59-L61 PolarHBondContact O-N 3.4Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 HydrophobicContact CB-CG2 4.11Å; L61-V63 PolarHBondContact O-N 2.89Å; L61-L154 HydrophobicContact CD1-CD1 4.01Å
62G97.7Very high98.3Very high66 Ų6646.2 Ų46.268%0.6825%0.252SS*.THydrogen-bonded Turntrans70.122.2-175.600000113.7L58 Q59 S60 P64L58-G62 PolarHBondContact O-N 3.46Å; Q59-G62 PolarHBondContact O-N 2.97Å; S60-G62 VanDerWaalsContact C-N 3.32Å; G62-P64 WeakPolarHBondContact O-CD 3.37Å
63V98.4Very high98.3Very high7 Ų746.2 Ų46.24%0.04225%0.247CC..  trans-97.2112.3178.1-177.80000109L4 P5 A8 L58 L61L4-V63 HydrophobicContact CB-CG2 4.19Å; L4-V63 HydrophobicContact CD1-CG2 4.38Å; P5-V63 HydrophobicContact CG-CG1 4.11Å; A8-V63 HydrophobicContact CB-CG1 3.99Å; L58-V63 CarbonylContact C-O 3.46Å; L58-V63 HydrophobicContact CB-CB 4.41Å; L58-V63 HydrophobicContact CD2-CB 3.84Å; L58-V63 HydrophobicContact CD2-CG1 3.85Å; L58-V63 HydrophobicContact CD2-CG2 4.36Å; L58-V63 PolarHBondContact O-N 3.27Å; L61-V63 VanDerWaalsContact C-N 3.27Å; L61-V63 HydrophobicContact CB-CG2 4.11Å; L61-V63 PolarHBondContact O-N 2.89Å
64P96.9Very high98.3Very high47 Ų4744.4 Ų44.431%0.30524%0.24SC..  trans-67.8144.1176.628.2-33.8000111.3K6 L7 A8 G62 V91K6-P64 VanDerWaalsContact O-CD 3.27Å; K6-P64 WeakPolarHBondContact O-CD 3.13Å; K6-P64 WeakPolarHBondContact O-CG 3.41Å; L7-P64 HydrophobicContact CD1-CB 4.32Å; L7-P64 HydrophobicContact CD1-CG 4.07Å; A8-P64 PolarHBondContact N-O 3.19Å; G62-P64 WeakPolarHBondContact O-CD 3.37Å; P64-V91 HydrophobicContact CB-CG1 3.92Å; P64-V91 HydrophobicContact CB-CG2 4.08Å
65G98.4Very high98.3Very high5 Ų552.2 Ų52.25%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-94.7150.1174.200000112.5A8 Y89 F90 V91A8-G65 CarbonylContact O-C 3.6Å; A8-G65 VanDerWaalsContact O-CA 3.27Å; A8-G65 WeakPolarHBondContact O-CA 3.28Å; G65-Y89 WeakPolarHBondContact CA-O 3.19Å; G65-Y89 PolarHBondContact N-O 2.89Å; G65-F90 CarbonylContact O-C 3.54Å; G65-F90 VanDerWaalsContact O-CA 3.31Å; G65-F90 WeakPolarHBondContact O-CA 3.34Å; G65-V91 WeakPolarHBondContact O-CG2 3.23Å; G65-V91 PolarHBondContact O-N 2.93Å
66A98.8Very high98.3Very high0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-136.1155.1165.300000111L7 A8 V9 F10 F90 H92 L107L7-A66 HydrophobicContact CD1-CB 4.09Å; L7-A66 HydrophobicContact CD2-CB 4.29Å; L7-A66 HydrophobicContact CG-CB 4.34Å; A8-A66 PolarHBondContact O-N 3.39Å; V9-A66 CarbonylContact C-O 3.56Å; V9-A66 WeakPolarHBondContact CA-O 3.4Å; V9-A66 HydrophobicContact CG2-CB 4.36Å; F10-A66 PolarHBondContact N-O 2.96Å; A66-F90 VanDerWaalsContact C-CD1 3.45Å; A66-H92 VanDerWaalsContact CA-O 3.23Å; A66-H92 WeakPolarHBondContact CA-O 3.44Å; A66-H92 WeakPolarHBondContact CB-O 3.02Å; A66-L107 HydrophobicContact CB-CD1 4.2Å; A66-L107 HydrophobicContact CB-CD2 3.83Å
67A98.9Very high98.3Very high0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-106.6139.1172.700000110.4F10 L12 F90 H92 R93 E94F10-A67 CarbonylContact O-C 3.56Å; F10-A67 WeakPolarHBondContact O-CA 3.48Å; L12-A67 HydrophobicContact CD2-CB 4.16Å; A67-F90 HydrophobicContact CB-CD1 4.28Å; A67-F90 HydrophobicContact CB-CE1 4.43Å; A67-H92 PolarHBondContact N-O 3.33Å; A67-R93 HydrophobicContact CB-CB 4.26Å; A67-R93 HydrophobicContact CB-CG 4.04Å; A67-R93 WeakPolarHBondContact O-CA 3.42Å; A67-E94 PolarHBondContact O-N 2.87Å
68A98.8Very high98.4Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-135.5106170.600000107.8V9 F10 D11 E94 K100 H103 F104 L107V9-A68 HydrophobicContact CG1-CB 3.68Å; F10-A68 PolarHBondContact O-N 3.26Å; D11-A68 WeakPolarHBondContact CA-O 3.34Å; A68-E94 CarbonylContact C-O 3.48Å; A68-E94 VanDerWaalsContact CA-O 3.23Å; A68-E94 WeakPolarHBondContact CA-O 3.4Å; A68-K100 HydrophobicContact CB-CD 4.15Å; A68-K100 WeakPolarHBondContact O-CE 3.29Å; A68-K100 PolarHBondContact O-NZ 3.32Å; A68-H103 HydrophobicContact CB-CB 4.06Å; A68-F104 HydrophobicContact CB-CE2 4.37Å; A68-L107 HydrophobicContact CB-CD1 4.32Å
69S98.8Very high98.4Very high0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-131.6143.4-179168.20000112T71 E94 I95 Y96 H103S69-T71 WeakPolarHBondContact OG-CG2 3.38Å; S69-T71 PolarHBondContact OG-N 3Å; S69-E94 PolarHBondContact N-O 3.24Å; S69-I95 WeakPolarHBondContact O-CA 3.48Å; S69-Y96 PolarHBondContact O-N 2.78Å; S69-H103 PolarHBondContact O-NE2 2.85Å; S69-H103 VanDerWaalsContact O-NE2 3.11Å
70R98.6Very high98.4Very high85 Ų8539.3 Ų39.332%0.32123%0.226SC..  trans-92.43.3-178.7-65.4173.161.8132.39.5113.7Y96 P97 G98 K100 N127R70-Y96 WeakPolarHBondContact CA-O 3.34Å; R70-P97 WeakPolarHBondContact O-CA 3.43Å; R70-G98 WeakPolarHBondContact CG-O 3.39Å; R70-G98 PolarHBondContact NE-O 2.91Å; R70-G98 VanDerWaalsContact NE-O 3.07Å; R70-G98 PolarHBondContact NH2-O 2.9Å; R70-K100 HydrophobicContact CG-CD 4.25Å; R70-K100 HydrophobicContact CG-CG 4.15Å; R70-N127 WeakPolarHBondContact CD-OD1 3.5Å; R70-N127 PolarHBondContact NH1-OD1 2.94Å
71T98.4Very high98.5Very high4 Ų435.6 Ų35.63%0.02520%0.2CC..  trans-59.4144.9-175.2-172.90000111.7V21 S69 E73 A77 I95 P97V21-T71 HydrophobicContact CG1-CG2 4.02Å; V21-T71 WeakPolarHBondContact CG1-OG1 3.46Å; S69-T71 WeakPolarHBondContact OG-CG2 3.38Å; S69-T71 PolarHBondContact OG-N 3Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-E73 PolarHBondContact OG1-N 2.83Å; T71-E73 VanDerWaalsContact OG1-N 3.16Å; T71-A77 HydrophobicContact CG2-CB 3.93Å; T71-I95 HydrophobicContact CG2-CG2 3.65Å; T71-P97 WeakPolarHBondContact O-CD 3.17Å
72S98.3Very high98.5Very high77 Ų7739 Ų3954%0.53822%0.215SC..SBendtrans-80-20169.962.90000112.7D22 I74D22-S72 PolarHBondContact OD2-OG 2.82Å; S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 2.98Å; S72-I74 VanDerWaalsContact O-N 3.1Å
73E98.6Very high98.6Very high57 Ų5737.4 Ų37.427%0.26619%0.19SC..  trans-88.670.6179.3-176.948.5-102.300110.7V21 D22 P27 T71 G76 A77V21-E73 HydrophobicContact CG1-CB 4.24Å; V21-E73 HydrophobicContact CG2-CG 4.16Å; D22-E73 HydrophobicContact CB-CB 3.69Å; P27-E73 HydrophobicContact CG-CG 3.78Å; T71-E73 VanDerWaalsContact C-N 3.34Å; T71-E73 PolarHBondContact OG1-N 2.83Å; T71-E73 VanDerWaalsContact OG1-N 3.16Å; E73-G76 PolarHBondContact OE1-N 3.16Å; E73-A77 VanDerWaalsContact O-CB 3.29Å; E73-A77 WeakPolarHBondContact O-CB 3.45Å; E73-A77 PolarHBondContact O-N 2.84Å
74I98.6Very high98.6Very high68 Ų6839.1 Ų39.135%0.34920%0.197SC..Hα-helixtrans-66.4-43.5-173.3-58172.7000111.3S72 N78 I95S72-I74 VanDerWaalsContact C-N 3.33Å; S72-I74 PolarHBondContact O-N 2.98Å; S72-I74 VanDerWaalsContact O-N 3.1Å; I74-N78 PolarHBondContact O-N 3.09Å; I74-N78 VanDerWaalsContact O-N 3.13Å; I74-N78 PolarHBondContact O-ND2 3.41Å; I74-I95 HydrophobicContact CG2-CG2 4.39Å
75E98.7Very high98.6Very high164 Ų16440.5 Ų40.577%0.76620%0.202SC*.Hα-helixtrans-69.1-47.6-176.9-67.6-173.6-177.600110.5A77 N78 Q79E75-A77 PolarHBondContact O-N 3.01Å; E75-N78 PolarHBondContact O-N 3.23Å; E75-Q79 WeakPolarHBondContact O-CB 3.35Å; E75-Q79 PolarHBondContact O-N 3.29Å
76G98.8Very high98.6Very high2 Ų240.3 Ų40.32%0.02120%0.2CC..Hα-helixtrans-58.7-45.117600000112.8E73 N78 Q79 L80E73-G76 PolarHBondContact OE1-N 3.16Å; G76-N78 PolarHBondContact O-N 3.2Å; G76-Q79 PolarHBondContact O-N 2.97Å; G76-L80 WeakPolarHBondContact O-CG 3.34Å; G76-L80 PolarHBondContact O-N 3.17Å
77A98.8Very high98.6Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-60.4-46177.300000112.6L12 W17 V21 T71 E73 E75 Q79 L80 L81 I95L12-A77 HydrophobicContact CD1-CB 4.02Å; W17-A77 HydrophobicContact CH2-CB 4.35Å; V21-A77 HydrophobicContact CG1-CB 4.28Å; T71-A77 HydrophobicContact CG2-CB 3.93Å; E73-A77 VanDerWaalsContact O-CB 3.29Å; E73-A77 WeakPolarHBondContact O-CB 3.45Å; E73-A77 PolarHBondContact O-N 2.84Å; E75-A77 PolarHBondContact O-N 3.01Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; A77-L80 PolarHBondContact O-N 2.66Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.32Å; A77-I95 HydrophobicContact CB-CG2 4.03Å
78N98.8Very high98.5Very high49 Ų4949.7 Ų49.726%0.26224%0.238SC..Hα-helixtrans-65.6-38.1176.7-79.7-77.8000111.8I74 E75 G76 L80 L81 E82I74-N78 PolarHBondContact O-N 3.09Å; I74-N78 VanDerWaalsContact O-N 3.13Å; I74-N78 PolarHBondContact O-ND2 3.41Å; E75-N78 PolarHBondContact O-N 3.23Å; G76-N78 PolarHBondContact O-N 3.2Å; N78-L80 PolarHBondContact O-N 2.93Å; N78-L81 PolarHBondContact O-N 3.08Å; N78-E82 PolarHBondContact O-N 2.75Å; N78-E82 VanDerWaalsContact O-N 3.07Å
79Q98.8Very high98.4Very high62 Ų6251.6 Ų51.629%0.2925%0.245SC..Hα-helixtrans-63.6-40.2177.1-169-176.330.100111.9F29 E75 G76 A77 E82 L83F29-Q79 HydrophobicContact CB-CG 4.48Å; F29-Q79 HydrophobicContact CD2-CB 4.39Å; F29-Q79 PolarHBondContact O-NE2 3.41Å; E75-Q79 WeakPolarHBondContact O-CB 3.35Å; E75-Q79 PolarHBondContact O-N 3.29Å; G76-Q79 PolarHBondContact O-N 2.97Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; Q79-E82 WeakPolarHBondContact O-CB 3.48Å; Q79-E82 PolarHBondContact O-N 2.78Å; Q79-L83 HydrophobicContact CG-CD1 4Å; Q79-L83 HydrophobicContact CG-CG 4.3Å; Q79-L83 WeakPolarHBondContact O-CB 3.14Å; Q79-L83 WeakPolarHBondContact O-CG 3.39Å; Q79-L83 PolarHBondContact O-N 3.02Å
80L98.9Very high98.4Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-62.8-44174.7-70.7-179.5000111.8W17 F19 V21 F29 V37 V45 G76 A77 N78 E82 L83 F84W17-L80 HydrophobicContact CD2-CD1 4.31Å; W17-L80 HydrophobicContact CE3-CB 4.36Å; W17-L80 HydrophobicContact CE3-CD1 4.14Å; W17-L80 HydrophobicContact CH2-CB 4.04Å; W17-L80 HydrophobicContact CH2-CD1 3.94Å; W17-L80 HydrophobicContact CZ2-CD1 4.11Å; W17-L80 HydrophobicContact CZ3-CB 3.69Å; W17-L80 HydrophobicContact CZ3-CD1 3.96Å; F19-L80 HydrophobicContact CE2-CD1 4.13Å; F19-L80 HydrophobicContact CZ-CD1 3.92Å; V21-L80 HydrophobicContact CG2-CD1 3.88Å; F29-L80 HydrophobicContact CB-CD2 4.09Å; F29-L80 HydrophobicContact CD1-CD2 3.72Å; F29-L80 HydrophobicContact CD2-CD1 4.48Å; F29-L80 HydrophobicContact CD2-CD2 3.53Å; F29-L80 HydrophobicContact CD2-CG 3.68Å; F29-L80 HydrophobicContact CE1-CD2 4.01Å; F29-L80 HydrophobicContact CE2-CD1 3.96Å; F29-L80 HydrophobicContact CE2-CD2 3.83Å; F29-L80 HydrophobicContact CE2-CG 3.62Å; F29-L80 HydrophobicContact CG-CD2 3.48Å; F29-L80 VanDerWaalsContact CG-CD2 3.48Å; F29-L80 HydrophobicContact CG-CG 4.17Å; F29-L80 HydrophobicContact CZ-CD1 3.98Å; F29-L80 HydrophobicContact CZ-CD2 4.06Å; F29-L80 HydrophobicContact CZ-CG 4.07Å; V37-L80 HydrophobicContact CG1-CD2 4Å; V45-L80 HydrophobicContact CG1-CD1 4.32Å; V45-L80 HydrophobicContact CG1-CD2 3.82Å; G76-L80 WeakPolarHBondContact O-CG 3.34Å; G76-L80 PolarHBondContact O-N 3.17Å; A77-L80 PolarHBondContact O-N 2.66Å; N78-L80 PolarHBondContact O-N 2.93Å; L80-E82 PolarHBondContact O-N 2.9Å; L80-L83 PolarHBondContact O-N 3.41Å; L80-F84 HydrophobicContact CB-CD2 4.23Å; L80-F84 HydrophobicContact CB-CE2 4.29Å; L80-F84 HydrophobicContact CD2-CE2 3.96Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.97Å
81L98.8Very high98.4Very high0 Ų051.7 Ų51.70%025%0.254CS..Hα-helixtrans-58.4-37.2175.2-66.9178.3000112.1L12 L16 W17 A77 N78 D85 L86 I87 F90 I95L12-L81 HydrophobicContact CD2-CD1 4.46Å; L12-L81 HydrophobicContact CD2-CD2 4.08Å; L16-L81 HydrophobicContact CD1-CD2 4.32Å; W17-L81 HydrophobicContact CZ3-CD2 4.34Å; A77-L81 WeakPolarHBondContact O-CG 3.36Å; A77-L81 PolarHBondContact O-N 3.32Å; N78-L81 PolarHBondContact O-N 3.08Å; L81-D85 PolarHBondContact O-N 3.31Å; L81-L86 HydrophobicContact CD2-CB 4.14Å; L81-L86 HydrophobicContact CD2-CD1 4.13Å; L81-L86 PolarHBondContact O-N 3.15Å; L81-I87 HydrophobicContact CB-CD1 3.58Å; L81-I87 HydrophobicContact CB-CG1 3.98Å; L81-I87 HydrophobicContact CD1-CD1 4.23Å; L81-I87 PolarHBondContact O-N 3.31Å; L81-F90 HydrophobicContact CD2-CD2 4.32Å; L81-F90 HydrophobicContact CD2-CE2 3.84Å; L81-I95 HydrophobicContact CD1-CD1 4.04Å
82E98.6Very high98.3Very high126 Ų12654.1 Ų54.159%0.58927%0.266SS*.Hα-helixtrans-70.3-50.6176.1-175.366.5-154.300111.6N78 Q79 L80 F84 D85 I87N78-E82 PolarHBondContact O-N 2.75Å; N78-E82 VanDerWaalsContact O-N 3.07Å; Q79-E82 WeakPolarHBondContact O-CB 3.48Å; Q79-E82 PolarHBondContact O-N 2.78Å; L80-E82 PolarHBondContact O-N 2.9Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 2.78Å; E82-D85 WeakPolarHBondContact O-CA 3.39Å; E82-D85 PolarHBondContact O-N 2.88Å; E82-I87 HydrophobicContact CB-CG1 4.37Å; E82-I87 WeakPolarHBondContact OE2-CG1 3.37Å
83L98.6Very high98.4Very high32 Ų3254.8 Ų54.817%0.16826%0.256CS..Hα-helixtrans-65.2-33.7-176.8-70.7175000112.8F29 K31 V37 Q79 L80 D85F29-L83 HydrophobicContact CB-CD1 3.49Å; F29-L83 VanDerWaalsContact CB-CD1 3.49Å; K31-L83 HydrophobicContact CB-CD2 4.27Å; K31-L83 WeakPolarHBondContact CE-O 3.36Å; K31-L83 PolarHBondContact NZ-O 2.97Å; V37-L83 HydrophobicContact CG1-CB 4.41Å; V37-L83 HydrophobicContact CG1-CD1 3.88Å; V37-L83 HydrophobicContact CG2-CB 3.98Å; Q79-L83 HydrophobicContact CG-CD1 4Å; Q79-L83 HydrophobicContact CG-CG 4.3Å; Q79-L83 WeakPolarHBondContact O-CB 3.14Å; Q79-L83 WeakPolarHBondContact O-CG 3.39Å; Q79-L83 PolarHBondContact O-N 3.02Å; L80-L83 PolarHBondContact O-N 3.41Å; L83-D85 VanDerWaalsContact C-N 3.25Å
84F98.5Very high98.4Very high43 Ų4352.3 Ų52.319%0.18925%0.245CC..THydrogen-bonded Turntrans-84.63.5171.9-67.6-55.9000113.8V37 V45 L47 L80 E82 L86V37-F84 HydrophobicContact CB-CE1 3.91Å; V37-F84 HydrophobicContact CB-CZ 3.83Å; V37-F84 HydrophobicContact CG1-CZ 4.23Å; V37-F84 HydrophobicContact CG2-CD1 3.99Å; V37-F84 HydrophobicContact CG2-CE1 3.54Å; V37-F84 HydrophobicContact CG2-CZ 3.91Å; V45-F84 HydrophobicContact CB-CZ 4.42Å; V45-F84 HydrophobicContact CG1-CE2 4.08Å; V45-F84 HydrophobicContact CG1-CZ 3.98Å; V45-F84 WeakPolarHBondContact O-CZ 3.47Å; L47-F84 HydrophobicContact CD1-CB 4.02Å; L47-F84 HydrophobicContact CD1-CD1 4.25Å; L47-F84 HydrophobicContact CD1-CD2 4.49Å; L47-F84 HydrophobicContact CD1-CG 4.02Å; L47-F84 HydrophobicContact CD2-CB 4.47Å; L47-F84 HydrophobicContact CD2-CD2 3.62Å; L47-F84 HydrophobicContact CD2-CE2 3.94Å; L47-F84 HydrophobicContact CD2-CG 4.01Å; L47-F84 HydrophobicContact CG-CB 4.4Å; L47-F84 HydrophobicContact CG-CD1 4.07Å; L47-F84 HydrophobicContact CG-CD2 3.96Å; L47-F84 HydrophobicContact CG-CE1 4.33Å; L47-F84 HydrophobicContact CG-CE2 4.22Å; L47-F84 HydrophobicContact CG-CG 3.89Å; L47-F84 HydrophobicContact CG-CZ 4.41Å; L80-F84 HydrophobicContact CB-CD2 4.23Å; L80-F84 HydrophobicContact CB-CE2 4.29Å; L80-F84 HydrophobicContact CD2-CE2 3.96Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 WeakPolarHBondContact O-CD2 3.47Å; L80-F84 PolarHBondContact O-N 2.97Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 2.78Å; F84-L86 HydrophobicContact CB-CD1 4.18Å; F84-L86 HydrophobicContact CB-CD2 4.42Å; F84-L86 HydrophobicContact CB-CG 3.8Å; F84-L86 WeakPolarHBondContact O-CD2 3.45Å; F84-L86 PolarHBondContact O-N 3.27Å
85D97.9Very high98.4Very high76 Ų7649.6 Ų49.641%0.40623%0.231SC..THydrogen-bonded Turntrans60.434.8173.5-170.725.6000112.9L81 E82 L83 R88L81-D85 PolarHBondContact O-N 3.31Å; E82-D85 WeakPolarHBondContact O-CA 3.39Å; E82-D85 PolarHBondContact O-N 2.88Å; L83-D85 VanDerWaalsContact C-N 3.25Å; D85-R88 WeakPolarHBondContact O-CG 3.38Å; D85-R88 PolarHBondContact O-NE 3.23Å; D85-R88 IonicContact OD1-CZ 3.07Å; D85-R88 IonicContact OD1-NE 2.85Å; D85-R88 PolarHBondContact OD1-NE 2.9Å; D85-R88 IonicContact OD1-NH2 2.64Å; D85-R88 PolarHBondContact OD1-NH2 3.4Å; D85-R88 IonicContact OD2-CZ 3Å; D85-R88 IonicContact OD2-NE 3.44Å; D85-R88 PolarHBondContact OD2-NE 3.49Å; D85-R88 IonicContact OD2-NH1 3.71Å; D85-R88 IonicContact OD2-NH2 2.55Å; D85-R88 PolarHBondContact OD2-NH2 2.89Å
86L98.4Very high98.4Very high2 Ų243.8 Ų43.81%0.0120%0.202CC..  trans-95.6-18.4-177.4-55.4-172000113.2L47 V51 L55 L81 F84 R88 Y89 F90L47-L86 HydrophobicContact CD1-CD1 3.85Å; L47-L86 HydrophobicContact CD1-CD2 4.19Å; L47-L86 HydrophobicContact CD1-CG 4.38Å; L47-L86 HydrophobicContact CD2-CD1 3.98Å; V51-L86 HydrophobicContact CG1-CD1 4.28Å; L55-L86 HydrophobicContact CD1-CB 4.42Å; L55-L86 HydrophobicContact CD1-CD1 4.29Å; L55-L86 HydrophobicContact CD1-CD2 3.96Å; L55-L86 HydrophobicContact CD1-CG 4.45Å; L81-L86 HydrophobicContact CD2-CB 4.14Å; L81-L86 HydrophobicContact CD2-CD1 4.13Å; L81-L86 PolarHBondContact O-N 3.15Å; F84-L86 HydrophobicContact CB-CD1 4.18Å; F84-L86 HydrophobicContact CB-CD2 4.42Å; F84-L86 HydrophobicContact CB-CG 3.8Å; F84-L86 WeakPolarHBondContact O-CD2 3.45Å; F84-L86 PolarHBondContact O-N 3.27Å; L86-R88 PolarHBondContact O-N 3.14Å; L86-R88 VanDerWaalsContact O-N 3.09Å; L86-Y89 HydrophobicContact CD2-CD2 4.43Å; L86-Y89 HydrophobicContact CD2-CE2 4.45Å; L86-Y89 PolarHBondContact O-N 2.9Å; L86-F90 HydrophobicContact CB-CD2 4.44Å; L86-F90 HydrophobicContact CB-CE2 3.99Å; L86-F90 VanDerWaalsContact O-CD2 3.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.48Å
87I97.6Very high98.4Very high41 Ų4147.4 Ų47.421%0.2123%0.225CC..G310 helixtrans-51.3-37.9-178.9-69.7-68.2000111.9L81 E82 Y89 F90L81-I87 HydrophobicContact CB-CD1 3.58Å; L81-I87 HydrophobicContact CB-CG1 3.98Å; L81-I87 HydrophobicContact CD1-CD1 4.23Å; L81-I87 PolarHBondContact O-N 3.31Å; E82-I87 HydrophobicContact CB-CG1 4.37Å; E82-I87 WeakPolarHBondContact OE2-CG1 3.37Å; I87-Y89 PolarHBondContact O-N 2.67Å; I87-Y89 VanDerWaalsContact O-N 3.11Å; I87-F90 PolarHBondContact O-N 2.96Å; I87-F90 VanDerWaalsContact O-N 3.07Å
88R96.9Very high98.3Very high156 Ų15648.9 Ų48.959%0.58924%0.24SC*.G310 helixtrans-57.1-22.5177.666.3175.572.9-168.9-7.7115D85 L86D85-R88 WeakPolarHBondContact O-CG 3.38Å; D85-R88 PolarHBondContact O-NE 3.23Å; D85-R88 IonicContact OD1-CZ 3.07Å; D85-R88 IonicContact OD1-NE 2.85Å; D85-R88 PolarHBondContact OD1-NE 2.9Å; D85-R88 IonicContact OD1-NH2 2.64Å; D85-R88 PolarHBondContact OD1-NH2 3.4Å; D85-R88 IonicContact OD2-CZ 3Å; D85-R88 IonicContact OD2-NE 3.44Å; D85-R88 PolarHBondContact OD2-NE 3.49Å; D85-R88 IonicContact OD2-NH1 3.71Å; D85-R88 IonicContact OD2-NH2 2.55Å; D85-R88 PolarHBondContact OD2-NH2 2.89Å; L86-R88 PolarHBondContact O-N 3.14Å; L86-R88 VanDerWaalsContact O-N 3.09Å
89Y98Very high98.2Very high39 Ų3948.6 Ų48.615%0.15324%0.242CC..G310 helixtrans-93.7-12.3-179.2-59-73.9000113L55 Q59 G65 L86 I87L55-Y89 HydrophobicContact CB-CD1 3.94Å; L55-Y89 HydrophobicContact CB-CD2 3.91Å; L55-Y89 HydrophobicContact CB-CE1 4.35Å; L55-Y89 HydrophobicContact CB-CE2 4.33Å; L55-Y89 HydrophobicContact CB-CG 3.71Å; L55-Y89 HydrophobicContact CD1-CD2 3.96Å; L55-Y89 HydrophobicContact CD1-CG 4.28Å; Q59-Y89 HydrophobicContact CB-CD1 4.25Å; Q59-Y89 HydrophobicContact CB-CE1 4.37Å; G65-Y89 WeakPolarHBondContact CA-O 3.19Å; G65-Y89 PolarHBondContact N-O 2.89Å; L86-Y89 HydrophobicContact CD2-CD2 4.43Å; L86-Y89 HydrophobicContact CD2-CE2 4.45Å; L86-Y89 PolarHBondContact O-N 2.9Å; I87-Y89 PolarHBondContact O-N 2.67Å; I87-Y89 VanDerWaalsContact O-N 3.11Å
90F98.2Very high98.2Very high8 Ų845.7 Ų45.74%0.03523%0.229CC..EExtended strand (participates in β ladder)trans-109.8104.4-174.1-64.4-63.9000111.7F10 L16 L55 G65 A66 A67 L81 L86 I87 H92 R93F10-F90 HydrophobicContact CB-CE1 4.46Å; F10-F90 AromaticContact CD2-CE1 4Å; F10-F90 HydrophobicContact CD2-CE1 4Å; L16-F90 HydrophobicContact CD1-CE2 4.29Å; L16-F90 HydrophobicContact CD1-CZ 3.82Å; L55-F90 HydrophobicContact CD1-CE2 4.22Å; L55-F90 HydrophobicContact CD1-CZ 4.06Å; L55-F90 HydrophobicContact CD2-CE1 4.26Å; L55-F90 HydrophobicContact CD2-CZ 4.03Å; G65-F90 CarbonylContact O-C 3.54Å; G65-F90 VanDerWaalsContact O-CA 3.31Å; G65-F90 WeakPolarHBondContact O-CA 3.34Å; A66-F90 VanDerWaalsContact C-CD1 3.45Å; A67-F90 HydrophobicContact CB-CD1 4.28Å; A67-F90 HydrophobicContact CB-CE1 4.43Å; L81-F90 HydrophobicContact CD2-CD2 4.32Å; L81-F90 HydrophobicContact CD2-CE2 3.84Å; L86-F90 HydrophobicContact CB-CD2 4.44Å; L86-F90 HydrophobicContact CB-CE2 3.99Å; L86-F90 VanDerWaalsContact O-CD2 3.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.48Å; I87-F90 PolarHBondContact O-N 2.96Å; I87-F90 VanDerWaalsContact O-N 3.07Å; F90-H92 VanDerWaalsContact C-N 3.3Å; F90-H92 PolarHBondContact O-N 3.28Å; F90-R93 HydrophobicContact CB-CG 3.96Å; F90-R93 PolarHBondContact O-NH1 3.34Å
91V97.4Very high98.2Very high79 Ų7947.3 Ų47.348%0.47924%0.239SC..EExtended strand (participates in β ladder)trans-67.2-32.9177.9-63.20000112.1L7 P64 G65L7-V91 HydrophobicContact CD1-CG2 4.26Å; P64-V91 HydrophobicContact CB-CG1 3.92Å; P64-V91 HydrophobicContact CB-CG2 4.08Å; G65-V91 WeakPolarHBondContact O-CG2 3.23Å; G65-V91 PolarHBondContact O-N 2.93Å
92H98.2Very high98.2Very high56 Ų5649.9 Ų49.926%0.25925%0.254SS..EExtended strand (participates in β ladder)trans-141.5151.4175.1-60.7-61.9000110.8A66 A67 F90 L107 T111A66-H92 VanDerWaalsContact CA-O 3.23Å; A66-H92 WeakPolarHBondContact CA-O 3.44Å; A66-H92 WeakPolarHBondContact CB-O 3.02Å; A67-H92 PolarHBondContact N-O 3.33Å; F90-H92 VanDerWaalsContact C-N 3.3Å; F90-H92 PolarHBondContact O-N 3.28Å; H92-L107 HydrophobicContact CB-CD2 3.65Å; H92-T111 WeakPolarHBondContact CD2-CG2 3.2Å
93R98.6Very high98.2Very high91 Ų9143.9 Ų43.934%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-137.2117.8179.4-60.1179-67-79.42.7108.2A67 F90 I95A67-R93 HydrophobicContact CB-CB 4.26Å; A67-R93 HydrophobicContact CB-CG 4.04Å; A67-R93 WeakPolarHBondContact O-CA 3.42Å; F90-R93 HydrophobicContact CB-CG 3.96Å; F90-R93 PolarHBondContact O-NH1 3.34Å; R93-I95 HydrophobicContact CB-CD1 4.09Å; R93-I95 HydrophobicContact CB-CG1 4.27Å
94E98.8Very high98.2Very high5 Ų542.3 Ų42.32%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-104.9103.7167.5-59.2-58.3129.600106.8A67 A68 S69 Y96 H103 R106 L107 K110A67-E94 PolarHBondContact O-N 2.87Å; A68-E94 CarbonylContact C-O 3.48Å; A68-E94 VanDerWaalsContact CA-O 3.23Å; A68-E94 WeakPolarHBondContact CA-O 3.4Å; S69-E94 PolarHBondContact N-O 3.24Å; E94-Y96 HydrophobicContact CB-CE1 3.81Å; E94-Y96 VanDerWaalsContact OE2-CE1 3.29Å; E94-Y96 WeakPolarHBondContact OE2-CE1 3.42Å; E94-Y96 PolarHBondContact OE2-OH 3.31Å; E94-Y96 VanDerWaalsContact OE2-OH 3.09Å; E94-H103 HydrophobicContact CB-CB 3.95Å; E94-H103 VanDerWaalsContact CB-CD2 3.48Å; E94-H103 WeakPolarHBondContact CB-CD2 3.29Å; E94-H103 HydrophobicContact CG-CB 4.43Å; E94-H103 PolarHBondContact O-CD2 2.91Å; E94-H103 VanDerWaalsContact O-CD2 3.32Å; E94-R106 HydrophobicContact CG-CB 4.25Å; E94-R106 WeakPolarHBondContact OE2-CD 3.43Å; E94-R106 IonicContact OE2-NH1 3.35Å; E94-L107 HydrophobicContact CG-CD2 3.9Å; E94-L107 HydrophobicContact CG-CG 3.83Å; E94-K110 WeakPolarHBondContact OE1-CE 3.43Å; E94-K110 IonicContact OE1-NZ 2.66Å; E94-K110 PolarHBondContact OE1-NZ 3.46Å
95I98.8Very high98.2Very high11 Ų1144.4 Ų44.46%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-130.699-176-56.6172000107.6L12 S69 T71 I74 A77 L81 R93L12-I95 HydrophobicContact CD1-CD1 3.82Å; L12-I95 HydrophobicContact CD1-CG1 4.12Å; L12-I95 HydrophobicContact CD1-CG2 4.46Å; S69-I95 WeakPolarHBondContact O-CA 3.48Å; T71-I95 HydrophobicContact CG2-CG2 3.65Å; I74-I95 HydrophobicContact CG2-CG2 4.39Å; A77-I95 HydrophobicContact CB-CG2 4.03Å; L81-I95 HydrophobicContact CD1-CD1 4.04Å; R93-I95 HydrophobicContact CB-CD1 4.09Å; R93-I95 HydrophobicContact CB-CG1 4.27Å
96Y98.6Very high98.3Very high42 Ų4245.8 Ų45.817%0.16523%0.228CC..SBendtrans-172.4157.7177.346.5-94.7000110.5S69 R70 E94 G98 H103 R106S69-Y96 PolarHBondContact O-N 2.78Å; R70-Y96 WeakPolarHBondContact CA-O 3.34Å; E94-Y96 HydrophobicContact CB-CE1 3.81Å; E94-Y96 VanDerWaalsContact OE2-CE1 3.29Å; E94-Y96 WeakPolarHBondContact OE2-CE1 3.42Å; E94-Y96 PolarHBondContact OE2-OH 3.31Å; E94-Y96 VanDerWaalsContact OE2-OH 3.09Å; Y96-G98 PolarHBondContact O-N 3.25Å; Y96-H103 AromaticContact CD2-CE1 3.83Å; Y96-H103 AromaticContact CD2-NE2 3.67Å; Y96-H103 AromaticContact CE2-CD2 3.91Å; Y96-H103 AromaticContact CE2-CE1 3.43Å; Y96-H103 VanDerWaalsContact CE2-CE1 3.43Å; Y96-H103 WeakPolarHBondContact CE2-CE1 3.1Å; Y96-H103 AromaticContact CE2-ND1 3.89Å; Y96-H103 AromaticContact CE2-NE2 3.42Å; Y96-H103 WeakPolarHBondContact CE2-NE2 3.39Å; Y96-H103 AromaticContact CZ-CD2 3.7Å; Y96-H103 AromaticContact CZ-NE2 3.68Å; Y96-H103 PolarHBondContact O-CE1 2.75Å; Y96-H103 PolarHBondContact O-NE2 3.25Å; Y96-R106 WeakPolarHBondContact OH-CD 3.31Å; Y96-R106 PolarHBondContact OH-NH1 3.11Å; Y96-R106 VanDerWaalsContact OH-NH1 3.07Å
97P98.4Very high98.3Very high77 Ų7745.7 Ų45.750%0.523%0.227SC..SBendtrans-59.6135.7173.8-25.636.3000112.6R70 T71R70-P97 WeakPolarHBondContact O-CA 3.43Å; T71-P97 WeakPolarHBondContact O-CD 3.17Å
98G97.3Very high98.3Very high31 Ų3146.8 Ų46.832%0.3223%0.232SC..SBendtrans156.5-173.5176.200000113.4R70 Y96R70-G98 WeakPolarHBondContact CG-O 3.39Å; R70-G98 PolarHBondContact NE-O 2.91Å; R70-G98 VanDerWaalsContact NE-O 3.07Å; R70-G98 PolarHBondContact NH2-O 2.9Å; Y96-G98 PolarHBondContact O-N 3.25Å
99S97.8Very high98.4Very high44 Ų4446.8 Ų46.831%0.30824%0.239SC..  trans-74.4137.2173.2179.20000110.7V101 T102 H103S99-V101 PolarHBondContact O-N 3.31Å; S99-V101 WeakPolarHBondContact OG-CB 3.39Å; S99-V101 PolarHBondContact OG-N 3.18Å; S99-T102 WeakPolarHBondContact O-CB 3.48Å; S99-T102 PolarHBondContact O-N 3.24Å; S99-T102 VanDerWaalsContact O-N 3.09Å; S99-H103 PolarHBondContact O-N 2.88Å; S99-H103 PolarHBondContact O-ND1 2.95Å
100K98.3Very high98.4Very high0 Ų050.4 Ų50.40%026%0.255CS..Hα-helixtrans-60-24.2171.7-73.5-79.7177.3119.70112.1D11 A68 R70 T102 H103 F104 F120 D122 N127 V131D11-K100 IonicContact OD1-NZ 2.78Å; D11-K100 PolarHBondContact OD1-NZ 3.43Å; D11-K100 IonicContact OD2-NZ 3.75Å; A68-K100 HydrophobicContact CB-CD 4.15Å; A68-K100 WeakPolarHBondContact O-CE 3.29Å; A68-K100 PolarHBondContact O-NZ 3.32Å; R70-K100 HydrophobicContact CG-CD 4.25Å; R70-K100 HydrophobicContact CG-CG 4.15Å; K100-T102 VanDerWaalsContact C-N 3.34Å; K100-T102 PolarHBondContact O-N 3.07Å; K100-H103 WeakPolarHBondContact O-CB 3.48Å; K100-H103 PolarHBondContact O-N 3.5Å; K100-H103 VanDerWaalsContact O-N 3.14Å; K100-F104 WeakPolarHBondContact O-CD2 3.41Å; K100-F104 PolarHBondContact O-N 2.82Å; K100-F120 HydrophobicContact CD-CZ 4.03Å; K100-D122 IonicContact NZ-OD2 3.04Å; K100-D122 PolarHBondContact NZ-OD2 2.82Å; K100-N127 HydrophobicContact CG-CB 4Å; K100-N127 WeakPolarHBondContact CG-OD1 3.44Å; K100-V131 HydrophobicContact CB-CG2 3.51Å
101V98.6Very high98.4Very high35 Ų3551.8 Ų51.821%0.21226%0.264CS..Hα-helixtrans-55.8-49.3172.2175.40000110.9S99 H103 F104 E105 D130 L134S99-V101 PolarHBondContact O-N 3.31Å; S99-V101 WeakPolarHBondContact OG-CB 3.39Å; S99-V101 PolarHBondContact OG-N 3.18Å; V101-H103 VanDerWaalsContact C-N 3.28Å; V101-H103 PolarHBondContact O-N 3.39Å; V101-F104 PolarHBondContact O-N 3.3Å; V101-F104 VanDerWaalsContact O-N 3.15Å; V101-E105 HydrophobicContact CG1-CG 4.45Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 2.87Å; V101-D130 HydrophobicContact CG2-CB 4.32Å; V101-L134 HydrophobicContact CG1-CD1 4.28Å; V101-L134 HydrophobicContact CG1-CD2 4.18Å
102T98.7Very high98.4Very high53 Ų5350.9 Ų50.933%0.32527%0.271SS..Hα-helixtrans-62.5-34.9177.9-52.30000112.6S99 K100 R106S99-T102 WeakPolarHBondContact O-CB 3.48Å; S99-T102 PolarHBondContact O-N 3.24Å; S99-T102 VanDerWaalsContact O-N 3.09Å; K100-T102 VanDerWaalsContact C-N 3.34Å; K100-T102 PolarHBondContact O-N 3.07Å; T102-R106 WeakPolarHBondContact O-CG 3.48Å; T102-R106 PolarHBondContact O-N 2.63Å
103H98.8Very high98.5Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-64.4-47.7175.4-6369.5000110.4A68 S69 E94 Y96 S99 K100 V101 R106 L107A68-H103 HydrophobicContact CB-CB 4.06Å; S69-H103 PolarHBondContact O-NE2 2.85Å; S69-H103 VanDerWaalsContact O-NE2 3.11Å; E94-H103 HydrophobicContact CB-CB 3.95Å; E94-H103 VanDerWaalsContact CB-CD2 3.48Å; E94-H103 WeakPolarHBondContact CB-CD2 3.29Å; E94-H103 HydrophobicContact CG-CB 4.43Å; E94-H103 PolarHBondContact O-CD2 2.91Å; E94-H103 VanDerWaalsContact O-CD2 3.32Å; Y96-H103 AromaticContact CD2-CE1 3.83Å; Y96-H103 AromaticContact CD2-NE2 3.67Å; Y96-H103 AromaticContact CE2-CD2 3.91Å; Y96-H103 AromaticContact CE2-CE1 3.43Å; Y96-H103 VanDerWaalsContact CE2-CE1 3.43Å; Y96-H103 WeakPolarHBondContact CE2-CE1 3.1Å; Y96-H103 AromaticContact CE2-ND1 3.89Å; Y96-H103 AromaticContact CE2-NE2 3.42Å; Y96-H103 WeakPolarHBondContact CE2-NE2 3.39Å; Y96-H103 AromaticContact CZ-CD2 3.7Å; Y96-H103 AromaticContact CZ-NE2 3.68Å; Y96-H103 PolarHBondContact O-CE1 2.75Å; Y96-H103 PolarHBondContact O-NE2 3.25Å; S99-H103 PolarHBondContact O-N 2.88Å; S99-H103 PolarHBondContact O-ND1 2.95Å; K100-H103 WeakPolarHBondContact O-CB 3.48Å; K100-H103 PolarHBondContact O-N 3.5Å; K100-H103 VanDerWaalsContact O-N 3.14Å; V101-H103 VanDerWaalsContact C-N 3.28Å; V101-H103 PolarHBondContact O-N 3.39Å; H103-R106 PolarHBondContact O-N 2.88Å; H103-L107 WeakPolarHBondContact O-CG 3.4Å; H103-L107 PolarHBondContact O-N 3.33Å
104F98.8Very high98.4Very high0 Ų047.9 Ų47.90%027%0.267CS..Hα-helixtrans-64.8-41178.8-89.8-95.5000112.6V9 A68 K100 V101 R106 L107 Q108 F115 M118 F120 V131 L134 V136V9-F104 HydrophobicContact CB-CE1 4.13Å; V9-F104 HydrophobicContact CB-CZ 3.72Å; V9-F104 HydrophobicContact CG1-CE1 4.33Å; V9-F104 HydrophobicContact CG1-CE2 4.07Å; V9-F104 HydrophobicContact CG1-CZ 3.64Å; V9-F104 HydrophobicContact CG2-CE1 3.81Å; V9-F104 HydrophobicContact CG2-CZ 3.93Å; A68-F104 HydrophobicContact CB-CE2 4.37Å; K100-F104 WeakPolarHBondContact O-CD2 3.41Å; K100-F104 PolarHBondContact O-N 2.82Å; V101-F104 PolarHBondContact O-N 3.3Å; V101-F104 VanDerWaalsContact O-N 3.15Å; F104-R106 VanDerWaalsContact C-N 3.32Å; F104-R106 PolarHBondContact O-N 3.13Å; F104-L107 PolarHBondContact O-N 2.76Å; F104-Q108 WeakPolarHBondContact O-CB 3.31Å; F104-Q108 PolarHBondContact O-N 3.32Å; F104-F115 HydrophobicContact CB-CE1 3.9Å; F104-F115 HydrophobicContact CD1-CD1 4.39Å; F104-F115 HydrophobicContact CD1-CE1 4.48Å; F104-F115 WeakPolarHBondContact O-CE1 3.31Å; F104-M118 HydrophobicContact CD1-SD 3.88Å; F104-M118 HydrophobicContact CE1-SD 4.03Å; F104-F120 HydrophobicContact CE1-CB 4.3Å; F104-F120 HydrophobicContact CE1-CG 4.5Å; F104-F120 HydrophobicContact CE2-CD1 4.1Å; F104-F120 AromaticContact CE2-CD2 3.85Å; F104-F120 HydrophobicContact CE2-CD2 3.85Å; F104-F120 HydrophobicContact CE2-CE1 4.12Å; F104-F120 AromaticContact CE2-CE2 3.89Å; F104-F120 HydrophobicContact CE2-CE2 3.89Å; F104-F120 AromaticContact CE2-CG 3.94Å; F104-F120 HydrophobicContact CE2-CG 3.94Å; F104-F120 AromaticContact CE2-CZ 3.97Å; F104-F120 HydrophobicContact CE2-CZ 3.97Å; F104-F120 HydrophobicContact CZ-CB 3.67Å; F104-F120 AromaticContact CZ-CD1 3.98Å; F104-F120 HydrophobicContact CZ-CD1 3.98Å; F104-F120 AromaticContact CZ-CD2 3.52Å; F104-F120 HydrophobicContact CZ-CD2 3.52Å; F104-F120 HydrophobicContact CZ-CE1 4.45Å; F104-F120 HydrophobicContact CZ-CE2 4.05Å; F104-F120 AromaticContact CZ-CG 3.45Å; F104-F120 HydrophobicContact CZ-CG 3.45Å; F104-F120 VanDerWaalsContact CZ-CG 3.45Å; F104-F120 HydrophobicContact CZ-CZ 4.44Å; F104-V131 HydrophobicContact CD1-CG1 4Å; F104-V131 HydrophobicContact CD2-CG1 3.79Å; F104-V131 HydrophobicContact CD2-CG2 3.81Å; F104-V131 HydrophobicContact CE1-CG1 3.88Å; F104-V131 HydrophobicContact CE2-CB 4.46Å; F104-V131 HydrophobicContact CE2-CG1 3.67Å; F104-V131 HydrophobicContact CE2-CG2 3.9Å; F104-V131 HydrophobicContact CG-CG1 3.95Å; F104-V131 HydrophobicContact CZ-CG1 3.73Å; F104-L134 HydrophobicContact CB-CD1 3.81Å; F104-L134 HydrophobicContact CG-CD1 4.49Å; F104-V136 HydrophobicContact CD1-CG2 3.8Å; F104-V136 HydrophobicContact CE1-CB 4.5Å; F104-V136 HydrophobicContact CE1-CG1 3.9Å; F104-V136 HydrophobicContact CE1-CG2 3.88Å; F104-V136 HydrophobicContact CZ-CG1 4.46Å
105E98.7Very high98.4Very high87 Ų8749.1 Ų49.141%0.40727%0.272SS..Hα-helixtrans-56.5-45.4173.6-73171167.800111.9V101 Q108 Q109 F115V101-E105 HydrophobicContact CG1-CG 4.45Å; V101-E105 WeakPolarHBondContact O-CG 3.42Å; V101-E105 PolarHBondContact O-N 2.87Å; E105-Q108 PolarHBondContact O-N 2.94Å; E105-Q109 VanDerWaalsContact O-CG 3.32Å; E105-Q109 WeakPolarHBondContact O-CG 3.2Å; E105-Q109 PolarHBondContact O-N 3.15Å; E105-F115 HydrophobicContact CG-CZ 4.4Å
106R98.8Very high98.4Very high104 Ų10451 Ų5139%0.39229%0.286SS..Hα-helixtrans-67.6-39.4176.5-71.1-176.8-174.4172.4-1.3112.7E94 Y96 T102 H103 F104 Q108 Q109 K110E94-R106 HydrophobicContact CG-CB 4.25Å; E94-R106 WeakPolarHBondContact OE2-CD 3.43Å; E94-R106 IonicContact OE2-NH1 3.35Å; Y96-R106 WeakPolarHBondContact OH-CD 3.31Å; Y96-R106 PolarHBondContact OH-NH1 3.11Å; Y96-R106 VanDerWaalsContact OH-NH1 3.07Å; T102-R106 WeakPolarHBondContact O-CG 3.48Å; T102-R106 PolarHBondContact O-N 2.63Å; H103-R106 PolarHBondContact O-N 2.88Å; F104-R106 VanDerWaalsContact C-N 3.32Å; F104-R106 PolarHBondContact O-N 3.13Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q109 PolarHBondContact O-N 3.45Å; R106-K110 WeakPolarHBondContact O-CG 3.35Å; R106-K110 PolarHBondContact O-N 3.05Å
107L98.8Very high98.4Very high0 Ų052 Ų520%029%0.292CS..Hα-helixtrans-61.3-43.5174-72.9176.4000111.3V9 A66 A68 H92 E94 H103 F104 K110 T111V9-L107 HydrophobicContact CG1-CD1 3.74Å; V9-L107 HydrophobicContact CG2-CD1 4.03Å; A66-L107 HydrophobicContact CB-CD1 4.2Å; A66-L107 HydrophobicContact CB-CD2 3.83Å; A68-L107 HydrophobicContact CB-CD1 4.32Å; H92-L107 HydrophobicContact CB-CD2 3.65Å; E94-L107 HydrophobicContact CG-CD2 3.9Å; E94-L107 HydrophobicContact CG-CG 3.83Å; H103-L107 WeakPolarHBondContact O-CG 3.4Å; H103-L107 PolarHBondContact O-N 3.33Å; F104-L107 PolarHBondContact O-N 2.76Å; L107-K110 PolarHBondContact O-N 3.14Å; L107-T111 WeakPolarHBondContact O-CB 3.31Å; L107-T111 VanDerWaalsContact O-CG2 3.3Å; L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 3.21Å; L107-T111 PolarHBondContact O-OG1 3.16Å
108Q98.6Very high98.4Very high64 Ų6448.3 Ų48.330%0.29927%0.268SS..Hα-helixtrans-62-44.5174.6173174.481.400111.4F104 E105 R106 K110 T111 G112 F115 M118F104-Q108 WeakPolarHBondContact O-CB 3.31Å; F104-Q108 PolarHBondContact O-N 3.32Å; E105-Q108 PolarHBondContact O-N 2.94Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-K110 VanDerWaalsContact C-N 3.35Å; Q108-K110 PolarHBondContact O-N 3.32Å; Q108-T111 PolarHBondContact O-N 3.19Å; Q108-G112 VanDerWaalsContact O-CA 3.3Å; Q108-G112 WeakPolarHBondContact O-CA 3.38Å; Q108-G112 PolarHBondContact O-N 3.24Å; Q108-F115 HydrophobicContact CB-CD1 4.41Å; Q108-F115 HydrophobicContact CB-CE1 3.68Å; Q108-F115 HydrophobicContact CB-CZ 3.93Å; Q108-F115 HydrophobicContact CG-CE1 4.39Å; Q108-F115 HydrophobicContact CG-CZ 4.35Å; Q108-F115 VanDerWaalsContact OE1-CZ 3.32Å; Q108-M118 HydrophobicContact CB-CE 4.05Å
109Q98.4Very high98.5Very high157 Ų15746.8 Ų46.873%0.73425%0.253SS*.Hα-helixtrans-60.3-42.4177.2-74.7174.4-3.400112.5E105 R106E105-Q109 VanDerWaalsContact O-CG 3.32Å; E105-Q109 WeakPolarHBondContact O-CG 3.2Å; E105-Q109 PolarHBondContact O-N 3.15Å; R106-Q109 PolarHBondContact O-N 3.45Å
110K98.3Very high98.5Very high115 Ų11544.7 Ų44.750%0.524%0.238SC..Hα-helixtrans-73.4-35.6-179.4-72176.4178.7175.20113.3E94 R106 L107 Q108E94-K110 WeakPolarHBondContact OE1-CE 3.43Å; E94-K110 IonicContact OE1-NZ 2.66Å; E94-K110 PolarHBondContact OE1-NZ 3.46Å; R106-K110 WeakPolarHBondContact O-CG 3.35Å; R106-K110 PolarHBondContact O-N 3.05Å; L107-K110 PolarHBondContact O-N 3.14Å; Q108-K110 VanDerWaalsContact C-N 3.35Å; Q108-K110 PolarHBondContact O-N 3.32Å
111T98.1Very high98.6Very high36 Ų3644.7 Ų44.722%0.22124%0.238CC..Hα-helixtrans-96.6-23.5-174.360.60000114.1L7 H92 L107 Q108 I113L7-T111 HydrophobicContact CD1-CG2 4.42Å; L7-T111 HydrophobicContact CD2-CG2 4.21Å; H92-T111 WeakPolarHBondContact CD2-CG2 3.2Å; L107-T111 WeakPolarHBondContact O-CB 3.31Å; L107-T111 VanDerWaalsContact O-CG2 3.3Å; L107-T111 WeakPolarHBondContact O-CG2 3.47Å; L107-T111 PolarHBondContact O-N 3.21Å; L107-T111 PolarHBondContact O-OG1 3.16Å; Q108-T111 PolarHBondContact O-N 3.19Å; T111-I113 HydrophobicContact CG2-CD1 4.42Å; T111-I113 PolarHBondContact O-N 3.42Å; T111-I113 PolarHBondContact OG1-N 2.99Å
112G98.2Very high98.6Very high61 Ų6143 Ų4363%0.62923%0.228SC*.  trans67.18.7-168.300000114.2Q108Q108-G112 VanDerWaalsContact O-CA 3.3Å; Q108-G112 WeakPolarHBondContact O-CA 3.38Å; Q108-G112 PolarHBondContact O-N 3.24Å
113I98.5Very high98.5Very high27 Ų2742.4 Ų42.414%0.13822%0.222CC..  trans-83.2129.2-175.3-65.2170000109.5K6 L7 T111 Q117 M118K6-I113 HydrophobicContact CB-CD1 4.18Å; K6-I113 HydrophobicContact CB-CG1 4.44Å; K6-I113 HydrophobicContact CB-CG2 3.89Å; K6-I113 WeakPolarHBondContact O-CD1 3.49Å; L7-I113 HydrophobicContact CB-CD1 3.87Å; L7-I113 HydrophobicContact CB-CG2 4.37Å; L7-I113 HydrophobicContact CD1-CD1 4.39Å; T111-I113 HydrophobicContact CG2-CD1 4.42Å; T111-I113 PolarHBondContact O-N 3.42Å; T111-I113 PolarHBondContact OG1-N 2.99Å; I113-Q117 HydrophobicContact CG2-CB 3.98Å; I113-M118 HydrophobicContact CB-CE 4.04Å; I113-M118 HydrophobicContact CG2-CE 4.13Å; I113-M118 HydrophobicContact CG2-CG 3.99Å; I113-M118 WeakPolarHBondContact O-CE 3.42Å
114P98.3Very high98.5Very high57 Ų5746.9 Ų46.937%0.3724%0.243SC..  trans-62.8144.2174.3-22.333.4000111.8S116 Q117P114-S116 PolarHBondContact O-N 3.07Å; P114-Q117 HydrophobicContact CB-CG 4.41Å; P114-Q117 HydrophobicContact CG-CG 4.49Å; P114-Q117 WeakPolarHBondContact O-CA 3.45Å; P114-Q117 PolarHBondContact O-N 3.09Å
115F98.6Very high98.4Very high31 Ų3154.3 Ų54.314%0.13627%0.271CS..G310 helixtrans-54.8-38.4178.1-67.2-48.4000113F104 E105 Q108 Q117 M118 L134 V136F104-F115 HydrophobicContact CB-CE1 3.9Å; F104-F115 HydrophobicContact CD1-CD1 4.39Å; F104-F115 HydrophobicContact CD1-CE1 4.48Å; F104-F115 WeakPolarHBondContact O-CE1 3.31Å; E105-F115 HydrophobicContact CG-CZ 4.4Å; Q108-F115 HydrophobicContact CB-CD1 4.41Å; Q108-F115 HydrophobicContact CB-CE1 3.68Å; Q108-F115 HydrophobicContact CB-CZ 3.93Å; Q108-F115 HydrophobicContact CG-CE1 4.39Å; Q108-F115 HydrophobicContact CG-CZ 4.35Å; Q108-F115 VanDerWaalsContact OE1-CZ 3.32Å; F115-Q117 PolarHBondContact O-N 3.21Å; F115-Q117 VanDerWaalsContact O-N 3.08Å; F115-M118 HydrophobicContact CD1-CE 4.13Å; F115-M118 HydrophobicContact CD1-SD 4.07Å; F115-M118 HydrophobicContact CE1-CE 4.49Å; F115-M118 WeakPolarHBondContact O-CB 3.29Å; F115-M118 PolarHBondContact O-N 2.96Å; F115-L134 HydrophobicContact CB-CB 4.35Å; F115-L134 WeakPolarHBondContact CB-O 3.26Å; F115-L134 HydrophobicContact CD1-CB 4.44Å; F115-L134 HydrophobicContact CD2-CB 3.89Å; F115-L134 HydrophobicContact CE1-CD1 4.26Å; F115-L134 HydrophobicContact CE2-CB 4.28Å; F115-L134 HydrophobicContact CE2-CD1 4.46Å; F115-L134 HydrophobicContact CG-CB 3.98Å; F115-L134 HydrophobicContact CZ-CD1 4.21Å; F115-V136 HydrophobicContact CB-CG2 3.79Å; F115-V136 HydrophobicContact CD1-CG2 4Å; F115-V136 HydrophobicContact CG-CG2 4.22Å; F115-V136 WeakPolarHBondContact O-CA 3.43Å
116S98Very high98.3Very high49 Ų4957.6 Ų57.634%0.34328%0.28SS..G310 helixtrans-62.1-14.4175.959.50000114.5P114 G135 Q161P114-S116 PolarHBondContact O-N 3.07Å; S116-G135 WeakPolarHBondContact CA-O 3.39Å; S116-Q161 PolarHBondContact O-NE2 2.83Å
117Q98.3Very high98.3Very high63 Ų6353 Ų5329%0.29426%0.263SS..G310 helixtrans-102.96.8175.6-60.9-172.416.300113K6 I113 P114 F115K6-Q117 HydrophobicContact CB-CB 4.12Å; K6-Q117 HydrophobicContact CG-CB 4.16Å; K6-Q117 VanDerWaalsContact CG-OE1 3.25Å; K6-Q117 PolarHBondContact N-O 3.5Å; I113-Q117 HydrophobicContact CG2-CB 3.98Å; P114-Q117 HydrophobicContact CB-CG 4.41Å; P114-Q117 HydrophobicContact CG-CG 4.49Å; P114-Q117 WeakPolarHBondContact O-CA 3.45Å; P114-Q117 PolarHBondContact O-N 3.09Å; F115-Q117 PolarHBondContact O-N 3.21Å; F115-Q117 VanDerWaalsContact O-N 3.08Å
118M98.7Very high98.2Very high0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-101147.6176.8-54.2-171.1-175.500111.4L7 F104 Q108 I113 F115 V136 T137L7-M118 HydrophobicContact CB-CG 4.14Å; L7-M118 HydrophobicContact CD2-CE 4.07Å; L7-M118 HydrophobicContact CD2-CG 4.37Å; L7-M118 HydrophobicContact CD2-SD 3.95Å; L7-M118 WeakPolarHBondContact O-CA 3.3Å; F104-M118 HydrophobicContact CD1-SD 3.88Å; F104-M118 HydrophobicContact CE1-SD 4.03Å; Q108-M118 HydrophobicContact CB-CE 4.05Å; I113-M118 HydrophobicContact CB-CE 4.04Å; I113-M118 HydrophobicContact CG2-CE 4.13Å; I113-M118 HydrophobicContact CG2-CG 3.99Å; I113-M118 WeakPolarHBondContact O-CE 3.42Å; F115-M118 HydrophobicContact CD1-CE 4.13Å; F115-M118 HydrophobicContact CD1-SD 4.07Å; F115-M118 HydrophobicContact CE1-CE 4.49Å; F115-M118 WeakPolarHBondContact O-CB 3.29Å; F115-M118 PolarHBondContact O-N 2.96Å; M118-V136 HydrophobicContact CB-CG1 4.07Å; M118-V136 HydrophobicContact CB-CG2 4.39Å; M118-T137 PolarHBondContact O-N 2.93Å; M118-T137 VanDerWaalsContact O-N 3.16Å
119I98.8Very high98.2Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-115143.1163.4-170.4162.2000109.4P5 L7 A8 V9 F121 T137 I139 G153 F157P5-I119 HydrophobicContact CB-CB 4.12Å; P5-I119 HydrophobicContact CB-CG2 3.8Å; P5-I119 HydrophobicContact CG-CB 4.29Å; P5-I119 HydrophobicContact CG-CG2 3.62Å; L7-I119 PolarHBondContact O-N 3.27Å; A8-I119 HydrophobicContact CB-CG2 3.84Å; V9-I119 PolarHBondContact N-O 2.99Å; I119-F121 HydrophobicContact CD1-CE1 4.46Å; I119-F121 HydrophobicContact CD1-CE2 4.05Å; I119-F121 HydrophobicContact CD1-CZ 3.7Å; I119-F121 HydrophobicContact CG1-CE2 3.89Å; I119-F121 HydrophobicContact CG1-CZ 4.01Å; I119-F121 HydrophobicContact CG2-CE2 3.84Å; I119-T137 CarbonylContact C-O 3.59Å; I119-T137 WeakPolarHBondContact CA-O 3.4Å; I119-T137 HydrophobicContact CD1-CG2 4.48Å; I119-T137 HydrophobicContact CG1-CG2 4.4Å; I119-T137 WeakPolarHBondContact CG1-O 3.3Å; I119-I139 HydrophobicContact CD1-CD1 4.34Å; I119-I139 HydrophobicContact CD1-CG1 3.85Å; I119-I139 HydrophobicContact CG1-CG1 3.98Å; I119-G153 WeakPolarHBondContact CD1-O 3.41Å; I119-F157 HydrophobicContact CB-CD2 4.22Å; I119-F157 HydrophobicContact CD1-CB 3.99Å
120F98.9Very high98.2Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-129135-178178.1-138.8000111.6V9 K100 F104 D122 N127 I128 V131 V136 T137 C138 I139V9-F120 HydrophobicContact CB-CD2 4Å; V9-F120 HydrophobicContact CG1-CD2 4.02Å; V9-F120 HydrophobicContact CG1-CE2 4.33Å; V9-F120 WeakPolarHBondContact O-CA 3.14Å; V9-F120 WeakPolarHBondContact O-CD2 3.34Å; K100-F120 HydrophobicContact CD-CZ 4.03Å; F104-F120 HydrophobicContact CE1-CB 4.3Å; F104-F120 HydrophobicContact CE1-CG 4.5Å; F104-F120 HydrophobicContact CE2-CD1 4.1Å; F104-F120 AromaticContact CE2-CD2 3.85Å; F104-F120 HydrophobicContact CE2-CD2 3.85Å; F104-F120 HydrophobicContact CE2-CE1 4.12Å; F104-F120 AromaticContact CE2-CE2 3.89Å; F104-F120 HydrophobicContact CE2-CE2 3.89Å; F104-F120 AromaticContact CE2-CG 3.94Å; F104-F120 HydrophobicContact CE2-CG 3.94Å; F104-F120 AromaticContact CE2-CZ 3.97Å; F104-F120 HydrophobicContact CE2-CZ 3.97Å; F104-F120 HydrophobicContact CZ-CB 3.67Å; F104-F120 AromaticContact CZ-CD1 3.98Å; F104-F120 HydrophobicContact CZ-CD1 3.98Å; F104-F120 AromaticContact CZ-CD2 3.52Å; F104-F120 HydrophobicContact CZ-CD2 3.52Å; F104-F120 HydrophobicContact CZ-CE1 4.45Å; F104-F120 HydrophobicContact CZ-CE2 4.05Å; F104-F120 AromaticContact CZ-CG 3.45Å; F104-F120 HydrophobicContact CZ-CG 3.45Å; F104-F120 VanDerWaalsContact CZ-CG 3.45Å; F104-F120 HydrophobicContact CZ-CZ 4.44Å; F120-D122 HydrophobicContact CD1-CB 4.33Å; F120-D122 HydrophobicContact CE1-CB 3.65Å; F120-D122 HydrophobicContact CE2-CB 3.88Å; F120-D122 HydrophobicContact CZ-CB 3.42Å; F120-D122 VanDerWaalsContact CZ-CB 3.42Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.43Å; F120-N127 HydrophobicContact CE1-CB 4.3Å; F120-I128 HydrophobicContact CD1-CD1 4.3Å; F120-I128 HydrophobicContact CE1-CD1 4.45Å; F120-V131 HydrophobicContact CD1-CB 3.99Å; F120-V131 HydrophobicContact CD1-CG1 3.82Å; F120-V131 HydrophobicContact CD1-CG2 4.21Å; F120-V131 HydrophobicContact CE1-CB 4.08Å; F120-V131 HydrophobicContact CE1-CG1 4.29Å; F120-V131 HydrophobicContact CE1-CG2 3.83Å; F120-V131 HydrophobicContact CG-CG1 4.45Å; F120-V136 HydrophobicContact CB-CG1 3.71Å; F120-T137 PolarHBondContact N-O 3.48Å; F120-C138 HydrophobicContact CD1-CB 4.44Å; F120-C138 CarbonylContact O-C 3.53Å; F120-I139 PolarHBondContact O-N 3.15Å
121F98.9Very high98.2Very high0 Ų042.9 Ų42.90%022%0.224CC..EExtended strand (participates in β ladder)trans-120.4118.6-179.8-68.1-80.4000109.7V9 F10 D11 I119 I139 I141 M145 T149 L150V9-F121 PolarHBondContact O-N 3.22Å; F10-F121 HydrophobicContact CD1-CB 3.83Å; F10-F121 HydrophobicContact CD1-CD2 4.05Å; F10-F121 HydrophobicContact CD1-CG 4.21Å; F10-F121 HydrophobicContact CE1-CB 4.1Å; F10-F121 AromaticContact CE1-CD2 3.61Å; F10-F121 HydrophobicContact CE1-CD2 3.61Å; F10-F121 HydrophobicContact CE1-CE2 4.23Å; F10-F121 AromaticContact CE1-CG 3.98Å; F10-F121 HydrophobicContact CE1-CG 3.98Å; F10-F121 AromaticContact CZ-CD2 3.92Å; F10-F121 HydrophobicContact CZ-CD2 3.92Å; F10-F121 HydrophobicContact CZ-CE2 4.21Å; D11-F121 PolarHBondContact N-O 3.47Å; I119-F121 HydrophobicContact CD1-CE1 4.46Å; I119-F121 HydrophobicContact CD1-CE2 4.05Å; I119-F121 HydrophobicContact CD1-CZ 3.7Å; I119-F121 HydrophobicContact CG1-CE2 3.89Å; I119-F121 HydrophobicContact CG1-CZ 4.01Å; I119-F121 HydrophobicContact CG2-CE2 3.84Å; F121-I139 HydrophobicContact CD1-CB 3.69Å; F121-I139 HydrophobicContact CD1-CG1 4.14Å; F121-I139 HydrophobicContact CD1-CG2 3.93Å; F121-I139 HydrophobicContact CE1-CB 3.83Å; F121-I139 HydrophobicContact CE1-CG1 3.82Å; F121-I139 HydrophobicContact CE1-CG2 3.93Å; F121-I139 HydrophobicContact CZ-CG1 4.37Å; F121-I141 HydrophobicContact CB-CD1 3.69Å; F121-I141 HydrophobicContact CD1-CD1 4.12Å; F121-I141 HydrophobicContact CG-CD1 4.36Å; F121-M145 HydrophobicContact CB-SD 4.36Å; F121-M145 HydrophobicContact CD1-CE 3.86Å; F121-M145 HydrophobicContact CD1-SD 3.78Å; F121-M145 HydrophobicContact CE1-CE 3.73Å; F121-M145 HydrophobicContact CE1-SD 4.26Å; F121-M145 HydrophobicContact CE2-CE 4.44Å; F121-M145 HydrophobicContact CG-CE 4.28Å; F121-M145 HydrophobicContact CG-SD 4.08Å; F121-M145 HydrophobicContact CZ-CE 4.04Å; F121-T149 HydrophobicContact CD1-CG2 4.25Å; F121-T149 HydrophobicContact CE1-CG2 4.32Å; F121-L150 HydrophobicContact CE2-CD1 4.47Å; F121-L150 HydrophobicContact CZ-CD1 4.14Å
122D98.8Very high98.2Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-156.4142-175.7-165.3-65.3000109.2D11 K100 F120 E124 N127 I128 I139 H140 I141D11-D122 HydrophobicContact CB-CB 4.05Å; D11-D122 WeakPolarHBondContact CB-OD2 3.47Å; K100-D122 IonicContact NZ-OD2 3.04Å; K100-D122 PolarHBondContact NZ-OD2 2.82Å; F120-D122 HydrophobicContact CD1-CB 4.33Å; F120-D122 HydrophobicContact CE1-CB 3.65Å; F120-D122 HydrophobicContact CE2-CB 3.88Å; F120-D122 HydrophobicContact CZ-CB 3.42Å; F120-D122 VanDerWaalsContact CZ-CB 3.42Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.43Å; D122-E124 WeakPolarHBondContact OD1-CA 3.3Å; D122-E124 VanDerWaalsContact OD1-CB 3.3Å; D122-E124 WeakPolarHBondContact OD1-CB 3.37Å; D122-E124 PolarHBondContact OD1-N 3.19Å; D122-N127 PolarHBondContact OD1-ND2 3.26Å; D122-N127 VanDerWaalsContact OD1-ND2 3.12Å; D122-N127 WeakPolarHBondContact OD2-CB 3.43Å; D122-N127 PolarHBondContact OD2-ND2 3.49Å; D122-I128 HydrophobicContact CB-CD1 3.9Å; D122-I128 HydrophobicContact CB-CG1 4.48Å; D122-I139 PolarHBondContact N-O 3.35Å; D122-H140 WeakPolarHBondContact O-CA 3.25Å; D122-I141 PolarHBondContact O-N 3.31Å
123D98.3Very high98.2Very high39 Ų3947.9 Ų47.921%0.20923%0.232CC..SBendtrans-86-21178.668.5-68.9000113.1D13 Y14 R125 H140 I141D13-D123 VanDerWaalsContact O-OD1 3.09Å; Y14-D123 VanDerWaalsContact CB-CG 3.47Å; Y14-D123 WeakPolarHBondContact CB-OD2 3.46Å; D123-R125 PolarHBondContact O-N 2.92Å; D123-H140 PolarHBondContact O-CD2 3.49Å; D123-H140 VanDerWaalsContact O-CD2 3.31Å; D123-H140 PolarHBondContact O-NE2 2.98Å; D123-H140 VanDerWaalsContact O-NE2 3.12Å; D123-I141 WeakPolarHBondContact CA-O 3.38Å; D123-I141 HydrophobicContact CB-CB 4.38Å
124E97Very high98.1Very high94 Ų9448.9 Ų48.944%0.43924%0.237SC..  trans-85.1109.7-176.8175.758.5-110.600110.3D122 R126 N127 I128D122-E124 WeakPolarHBondContact OD1-CA 3.3Å; D122-E124 VanDerWaalsContact OD1-CB 3.3Å; D122-E124 WeakPolarHBondContact OD1-CB 3.37Å; D122-E124 PolarHBondContact OD1-N 3.19Å; E124-R126 HydrophobicContact CG-CB 4.06Å; E124-R126 PolarHBondContact O-N 3.25Å; E124-R126 PolarHBondContact OE1-N 2.82Å; E124-N127 HydrophobicContact CB-CB 4.44Å; E124-N127 WeakPolarHBondContact O-CB 3.36Å; E124-N127 PolarHBondContact O-N 2.89Å; E124-I128 PolarHBondContact O-N 2.78Å
125R97Very high98.1Very high156 Ų15648.1 Ų48.159%0.58924%0.24SC*.Hα-helixtrans-50.9-36.7-179.5-171.372.870106.712.1112.5D123 N127 I128 V129 H140D123-R125 PolarHBondContact O-N 2.92Å; R125-N127 PolarHBondContact O-N 2.9Å; R125-I128 WeakPolarHBondContact O-CB 3.47Å; R125-I128 PolarHBondContact O-N 2.94Å; R125-V129 WeakPolarHBondContact O-CG2 3.47Å; R125-V129 PolarHBondContact O-N 3.44Å; R125-H140 PolarHBondContact NE-CE1 2.83Å; R125-H140 PolarHBondContact NE-NE2 3.02Å
126R97.3Very high98.1Very high156 Ų15647 Ų4759%0.58924%0.236SC*.Hα-helixtrans-60.7-44.5178-177.9-179.5175.5174.32.8112.1E124 I128 V129 D130E124-R126 HydrophobicContact CG-CB 4.06Å; E124-R126 PolarHBondContact O-N 3.25Å; E124-R126 PolarHBondContact OE1-N 2.82Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 PolarHBondContact O-N 3.47Å; R126-V129 PolarHBondContact O-N 3.06Å; R126-D130 PolarHBondContact O-N 2.89Å
127N97.9Very high98.1Very high7 Ų745.5 Ų45.54%0.03723%0.225CC..Hα-helixtrans-63.7-41178.6-68-25.3000110.8R70 K100 F120 D122 E124 R125 V129 D130 V131R70-N127 WeakPolarHBondContact CD-OD1 3.5Å; R70-N127 PolarHBondContact NH1-OD1 2.94Å; K100-N127 HydrophobicContact CG-CB 4Å; K100-N127 WeakPolarHBondContact CG-OD1 3.44Å; F120-N127 HydrophobicContact CE1-CB 4.3Å; D122-N127 PolarHBondContact OD1-ND2 3.26Å; D122-N127 VanDerWaalsContact OD1-ND2 3.12Å; D122-N127 WeakPolarHBondContact OD2-CB 3.43Å; D122-N127 PolarHBondContact OD2-ND2 3.49Å; E124-N127 HydrophobicContact CB-CB 4.44Å; E124-N127 WeakPolarHBondContact O-CB 3.36Å; E124-N127 PolarHBondContact O-N 2.89Å; R125-N127 PolarHBondContact O-N 2.9Å; N127-V129 PolarHBondContact O-N 2.85Å; N127-D130 PolarHBondContact O-N 2.88Å; N127-V131 WeakPolarHBondContact O-CB 3.42Å; N127-V131 VanDerWaalsContact O-CG2 3.3Å; N127-V131 WeakPolarHBondContact O-CG2 3.39Å; N127-V131 PolarHBondContact O-N 2.76Å
128I98.4Very high98.1Very high19 Ų1943.7 Ų43.710%0.09722%0.219CC..Hα-helixtrans-58-49.1175.2-61.5-64.6000111.1F120 D122 E124 R125 R126 S132 C138 H140F120-I128 HydrophobicContact CD1-CD1 4.3Å; F120-I128 HydrophobicContact CE1-CD1 4.45Å; D122-I128 HydrophobicContact CB-CD1 3.9Å; D122-I128 HydrophobicContact CB-CG1 4.48Å; E124-I128 PolarHBondContact O-N 2.78Å; R125-I128 WeakPolarHBondContact O-CB 3.47Å; R125-I128 PolarHBondContact O-N 2.94Å; R126-I128 VanDerWaalsContact C-N 3.32Å; R126-I128 PolarHBondContact O-N 3.47Å; I128-S132 WeakPolarHBondContact O-CB 3.42Å; I128-S132 PolarHBondContact O-N 3.31Å; I128-S132 PolarHBondContact O-OG 3.24Å; I128-C138 HydrophobicContact CB-CB 4.4Å; I128-C138 HydrophobicContact CD1-CB 3.81Å; I128-C138 HydrophobicContact CG2-CB 3.76Å; I128-H140 HydrophobicContact CD1-CB 4.44Å; I128-H140 HydrophobicContact CG1-CB 4.06Å
129V98Very high98.1Very high70 Ų7044.8 Ų44.842%0.42422%0.224SC..Hα-helixtrans-63.3-42.4179.11710000111.7R125 R126 N127 S132 K133R125-V129 WeakPolarHBondContact O-CG2 3.47Å; R125-V129 PolarHBondContact O-N 3.44Å; R126-V129 PolarHBondContact O-N 3.06Å; N127-V129 PolarHBondContact O-N 2.85Å; V129-S132 PolarHBondContact O-OG 2.71Å; V129-K133 WeakPolarHBondContact O-CE 3.46Å; V129-K133 WeakPolarHBondContact O-CG 3.2Å
130D97.8Very high98.1Very high35 Ų3547.8 Ų47.819%0.18724%0.238CC..Hα-helixtrans-69.7-43.7-178.8-73.6-23.4000112.4V101 R126 N127 K133V101-D130 HydrophobicContact CG2-CB 4.32Å; R126-D130 PolarHBondContact O-N 2.89Å; N127-D130 PolarHBondContact O-N 2.88Å; D130-K133 IonicContact OD1-NZ 2.67Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å
131V98.4Very high97.9Very high0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-76.7-32.2-176.7176.30000112.4K100 F104 F120 N127 K133 L134 V136K100-V131 HydrophobicContact CB-CG2 3.51Å; F104-V131 HydrophobicContact CD1-CG1 4Å; F104-V131 HydrophobicContact CD2-CG1 3.79Å; F104-V131 HydrophobicContact CD2-CG2 3.81Å; F104-V131 HydrophobicContact CE1-CG1 3.88Å; F104-V131 HydrophobicContact CE2-CB 4.46Å; F104-V131 HydrophobicContact CE2-CG1 3.67Å; F104-V131 HydrophobicContact CE2-CG2 3.9Å; F104-V131 HydrophobicContact CG-CG1 3.95Å; F104-V131 HydrophobicContact CZ-CG1 3.73Å; F120-V131 HydrophobicContact CD1-CB 3.99Å; F120-V131 HydrophobicContact CD1-CG1 3.82Å; F120-V131 HydrophobicContact CD1-CG2 4.21Å; F120-V131 HydrophobicContact CE1-CB 4.08Å; F120-V131 HydrophobicContact CE1-CG1 4.29Å; F120-V131 HydrophobicContact CE1-CG2 3.83Å; F120-V131 HydrophobicContact CG-CG1 4.45Å; N127-V131 WeakPolarHBondContact O-CB 3.42Å; N127-V131 VanDerWaalsContact O-CG2 3.3Å; N127-V131 WeakPolarHBondContact O-CG2 3.39Å; N127-V131 PolarHBondContact O-N 2.76Å; V131-K133 PolarHBondContact O-N 2.96Å; V131-L134 VanDerWaalsContact O-CB 3.28Å; V131-L134 WeakPolarHBondContact O-CB 3.49Å; V131-L134 PolarHBondContact O-N 2.7Å; V131-V136 HydrophobicContact CG1-CB 3.81Å; V131-V136 HydrophobicContact CG1-CG1 4.03Å; V131-V136 HydrophobicContact CG1-CG2 3.85Å
132S97.7Very high97.6Very high54 Ų5455.4 Ų55.438%0.37827%0.274SS..Hα-helixtrans-61.7-28.6177.954.80000113.2I128 V129 L134 G135 C138I128-S132 WeakPolarHBondContact O-CB 3.42Å; I128-S132 PolarHBondContact O-N 3.31Å; I128-S132 PolarHBondContact O-OG 3.24Å; V129-S132 PolarHBondContact O-OG 2.71Å; S132-L134 PolarHBondContact O-N 3.26Å; S132-L134 VanDerWaalsContact O-N 3.16Å; S132-G135 PolarHBondContact O-N 3.48Å; S132-C138 PolarHBondContact N-SG 2.93Å; S132-C138 VanDerWaalsContact N-SG 3.45Å
133K98Very high97.4Very high149 Ų14961.4 Ų61.465%0.64831%0.306SS*.THydrogen-bonded Turntrans-61.2-20.9173.7-64.6166.1-170.31640113V129 D130 V131 G135V129-K133 WeakPolarHBondContact O-CE 3.46Å; V129-K133 WeakPolarHBondContact O-CG 3.2Å; D130-K133 IonicContact OD1-NZ 2.67Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å; V131-K133 PolarHBondContact O-N 2.96Å; K133-G135 VanDerWaalsContact C-N 3.28Å
134L97.8Very high97.3Very high47 Ų4759.6 Ų59.625%0.24630%0.297CS..THydrogen-bonded Turntrans-81.2-7.5175.8-54.2179.1000112.9V101 F104 F115 V131 S132 V136V101-L134 HydrophobicContact CG1-CD1 4.28Å; V101-L134 HydrophobicContact CG1-CD2 4.18Å; F104-L134 HydrophobicContact CB-CD1 3.81Å; F104-L134 HydrophobicContact CG-CD1 4.49Å; F115-L134 HydrophobicContact CB-CB 4.35Å; F115-L134 WeakPolarHBondContact CB-O 3.26Å; F115-L134 HydrophobicContact CD1-CB 4.44Å; F115-L134 HydrophobicContact CD2-CB 3.89Å; F115-L134 HydrophobicContact CE1-CD1 4.26Å; F115-L134 HydrophobicContact CE2-CB 4.28Å; F115-L134 HydrophobicContact CE2-CD1 4.46Å; F115-L134 HydrophobicContact CG-CB 3.98Å; F115-L134 HydrophobicContact CZ-CD1 4.21Å; V131-L134 VanDerWaalsContact O-CB 3.28Å; V131-L134 WeakPolarHBondContact O-CB 3.49Å; V131-L134 PolarHBondContact O-N 2.7Å; S132-L134 PolarHBondContact O-N 3.26Å; S132-L134 VanDerWaalsContact O-N 3.16Å; L134-V136 HydrophobicContact CB-CG2 4.29Å
135G97.6Very high97.4Very high42 Ų4255.2 Ų55.243%0.43328%0.276SS..THydrogen-bonded Turntrans898.5-175.100000114.4S116 S132 K133S116-G135 WeakPolarHBondContact CA-O 3.39Å; S132-G135 PolarHBondContact O-N 3.48Å; K133-G135 VanDerWaalsContact C-N 3.28Å
136V98.5Very high97.5Very high8 Ų849.7 Ų49.75%0.04826%0.258CS..  trans-71.1141.6173179.40000110F104 F115 M118 F120 V131 L134 C138F104-V136 HydrophobicContact CD1-CG2 3.8Å; F104-V136 HydrophobicContact CE1-CB 4.5Å; F104-V136 HydrophobicContact CE1-CG1 3.9Å; F104-V136 HydrophobicContact CE1-CG2 3.88Å; F104-V136 HydrophobicContact CZ-CG1 4.46Å; F115-V136 HydrophobicContact CB-CG2 3.79Å; F115-V136 HydrophobicContact CD1-CG2 4Å; F115-V136 HydrophobicContact CG-CG2 4.22Å; F115-V136 WeakPolarHBondContact O-CA 3.43Å; M118-V136 HydrophobicContact CB-CG1 4.07Å; M118-V136 HydrophobicContact CB-CG2 4.39Å; F120-V136 HydrophobicContact CB-CG1 3.71Å; V131-V136 HydrophobicContact CG1-CB 3.81Å; V131-V136 HydrophobicContact CG1-CG1 4.03Å; V131-V136 HydrophobicContact CG1-CG2 3.85Å; L134-V136 HydrophobicContact CB-CG2 4.29Å; V136-C138 PolarHBondContact O-N 3.32Å
137T98.6Very high97.6Very high17 Ų1745.3 Ų45.310%0.10425%0.246CC..EExtended strand (participates in β ladder)trans-77107.6168.7-58.90000109.2M118 I119 F120 I139 T156 F157M118-T137 PolarHBondContact O-N 2.93Å; M118-T137 VanDerWaalsContact O-N 3.16Å; I119-T137 CarbonylContact C-O 3.59Å; I119-T137 WeakPolarHBondContact CA-O 3.4Å; I119-T137 HydrophobicContact CD1-CG2 4.48Å; I119-T137 HydrophobicContact CG1-CG2 4.4Å; I119-T137 WeakPolarHBondContact CG1-O 3.3Å; F120-T137 PolarHBondContact N-O 3.48Å; T137-I139 HydrophobicContact CG2-CD1 4.12Å; T137-T156 HydrophobicContact CG2-CG2 4.18Å; T137-F157 HydrophobicContact CG2-CB 4.17Å; T137-F157 HydrophobicContact CG2-CD2 4.33Å; T137-F157 WeakPolarHBondContact OG1-CD2 3.42Å
138C98.6Very high97.6Very high25 Ų2551 Ų5117%0.16927%0.272CS..EExtended strand (participates in β ladder)trans-101.7129.5-177.2-58.50000111.4F120 I128 S132 V136F120-C138 HydrophobicContact CD1-CB 4.44Å; F120-C138 CarbonylContact O-C 3.53Å; I128-C138 HydrophobicContact CB-CB 4.4Å; I128-C138 HydrophobicContact CD1-CB 3.81Å; I128-C138 HydrophobicContact CG2-CB 3.76Å; S132-C138 PolarHBondContact N-SG 2.93Å; S132-C138 VanDerWaalsContact N-SG 3.45Å; V136-C138 PolarHBondContact O-N 3.32Å
139I98.6Very high97.6Very high22 Ų2251 Ų5111%0.11327%0.274CS..EExtended strand (participates in β ladder)trans-113111.7180-51.1-57.3000108.3I119 F120 F121 D122 T137 I141 T149 T156I119-I139 HydrophobicContact CD1-CD1 4.34Å; I119-I139 HydrophobicContact CD1-CG1 3.85Å; I119-I139 HydrophobicContact CG1-CG1 3.98Å; F120-I139 PolarHBondContact O-N 3.15Å; F121-I139 HydrophobicContact CD1-CB 3.69Å; F121-I139 HydrophobicContact CD1-CG1 4.14Å; F121-I139 HydrophobicContact CD1-CG2 3.93Å; F121-I139 HydrophobicContact CE1-CB 3.83Å; F121-I139 HydrophobicContact CE1-CG1 3.82Å; F121-I139 HydrophobicContact CE1-CG2 3.93Å; F121-I139 HydrophobicContact CZ-CG1 4.37Å; D122-I139 PolarHBondContact N-O 3.35Å; T137-I139 HydrophobicContact CG2-CD1 4.12Å; I139-I141 PolarHBondContact O-N 2.97Å; I139-T149 HydrophobicContact CG2-CG2 4.41Å; I139-T156 HydrophobicContact CD1-CG2 3.91Å
140H98.5Very high97.6Very high63 Ų6347.8 Ų47.829%0.29225%0.254SS..EExtended strand (participates in β ladder)trans-77.8119177.7178.3-111.4000110.4D122 D123 R125 I128D122-H140 WeakPolarHBondContact O-CA 3.25Å; D123-H140 PolarHBondContact O-CD2 3.49Å; D123-H140 VanDerWaalsContact O-CD2 3.31Å; D123-H140 PolarHBondContact O-NE2 2.98Å; D123-H140 VanDerWaalsContact O-NE2 3.12Å; R125-H140 PolarHBondContact NE-CE1 2.83Å; R125-H140 PolarHBondContact NE-NE2 3.02Å; I128-H140 HydrophobicContact CD1-CB 4.44Å; I128-H140 HydrophobicContact CG1-CB 4.06Å
141I95.4Very high97.6Very high4 Ų449.7 Ų49.72%0.02127%0.27CS..  trans-92.7147.7-179.6-63.2-178.8000109.9T15 F121 D122 D123 I139 G144 M145 T149T15-I141 HydrophobicContact CG2-CD1 3.94Å; F121-I141 HydrophobicContact CB-CD1 3.69Å; F121-I141 HydrophobicContact CD1-CD1 4.12Å; F121-I141 HydrophobicContact CG-CD1 4.36Å; D122-I141 PolarHBondContact O-N 3.31Å; D123-I141 WeakPolarHBondContact CA-O 3.38Å; D123-I141 HydrophobicContact CB-CB 4.38Å; I139-I141 PolarHBondContact O-N 2.97Å; I141-G144 VanDerWaalsContact CG2-C 3.49Å; I141-G144 WeakPolarHBondContact CG2-O 3.12Å; I141-M145 HydrophobicContact CD1-CB 4.45Å; I141-M145 HydrophobicContact CD1-SD 3.62Å; I141-T149 HydrophobicContact CD1-CG2 4.18Å; I141-T149 HydrophobicContact CG1-CG2 3.95Å
142Q92.1Very high97.6Very high157 Ų15754.3 Ų54.373%0.73429%0.291SS*.SBendtrans-119.1-29.6175.8-64.4-178.1-52.100113.4
143N94.1Very high97.6Very high126 Ų12651.7 Ų51.767%0.67427%0.274SS*.SBendtrans-13537.5-169-63.656.4000111.5Y48Y48-N143 WeakPolarHBondContact CE1-O 3.49Å
144G97.2Very high97.6Very high1 Ų145.8 Ų45.81%0.0125%0.249CC..  trans71.2169.6-17400000114.6Y14 I141Y14-G144 WeakPolarHBondContact O-CA 3.33Å; I141-G144 VanDerWaalsContact CG2-C 3.49Å; I141-G144 WeakPolarHBondContact CG2-O 3.12Å
145M98.6Very high97.6Very high2 Ų248.5 Ų48.51%0.0126%0.26CS..  trans-76.6133.7-179.2-165.564.7-163.600111.4F10 T15 V51 V54 F121 I141 T149 L150F10-M145 HydrophobicContact CD1-CG 4.46Å; F10-M145 HydrophobicContact CE1-CE 3.98Å; F10-M145 HydrophobicContact CE1-CG 3.97Å; F10-M145 HydrophobicContact CE1-SD 3.95Å; T15-M145 WeakPolarHBondContact O-CB 3.36Å; T15-M145 PolarHBondContact O-N 3.27Å; V51-M145 HydrophobicContact CG2-CB 4.11Å; V54-M145 HydrophobicContact CB-CG 4.43Å; V54-M145 HydrophobicContact CG1-CE 3.71Å; V54-M145 HydrophobicContact CG1-CG 3.79Å; V54-M145 HydrophobicContact CG2-CE 4.45Å; V54-M145 HydrophobicContact CG2-CG 4.21Å; F121-M145 HydrophobicContact CB-SD 4.36Å; F121-M145 HydrophobicContact CD1-CE 3.86Å; F121-M145 HydrophobicContact CD1-SD 3.78Å; F121-M145 HydrophobicContact CE1-CE 3.73Å; F121-M145 HydrophobicContact CE1-SD 4.26Å; F121-M145 HydrophobicContact CE2-CE 4.44Å; F121-M145 HydrophobicContact CG-CE 4.28Å; F121-M145 HydrophobicContact CG-SD 4.08Å; F121-M145 HydrophobicContact CZ-CE 4.04Å; I141-M145 HydrophobicContact CD1-CB 4.45Å; I141-M145 HydrophobicContact CD1-SD 3.62Å; M145-T149 HydrophobicContact CE-CG2 4.1Å; M145-T149 HydrophobicContact SD-CG2 3.74Å; M145-L150 VanDerWaalsContact CE-CA 3.46Å; M145-L150 HydrophobicContact CE-CB 3.54Å; M145-L150 HydrophobicContact CE-CD1 4.1Å; M145-L150 HydrophobicContact CE-CG 4.42Å
146N98.7Very high97.6Very high39 Ų3949.7 Ų49.721%0.20926%0.259CS..  trans-147.6172.6175.46460.7000110.8E50 Q148 T149 L150E50-N146 HydrophobicContact CB-CB 4.31Å; E50-N146 WeakPolarHBondContact OE2-CB 3.45Å; N146-Q148 VanDerWaalsContact C-N 3.31Å; N146-Q148 PolarHBondContact O-N 2.97Å; N146-Q148 WeakPolarHBondContact OD1-CA 3.26Å; N146-Q148 VanDerWaalsContact OD1-CB 3.31Å; N146-Q148 WeakPolarHBondContact OD1-CB 3.35Å; N146-Q148 PolarHBondContact OD1-N 3.28Å; N146-T149 PolarHBondContact ND2-OG1 2.87Å; N146-T149 PolarHBondContact O-N 3.1Å; N146-T149 PolarHBondContact OD1-N 3.42Å; N146-T149 PolarHBondContact OD1-OG1 3.46Å; N146-L150 PolarHBondContact O-N 3.04Å
147L98.5Very high97.5Very high64 Ų6449.5 Ų49.534%0.33526%0.258SS..Hα-helixtrans-65.3-32.4-176.6-71169.6000112.8E50 E53 V54 S151E50-L147 HydrophobicContact CB-CG 4.39Å; E50-L147 VanDerWaalsContact OE2-CB 3.29Å; E50-L147 WeakPolarHBondContact OE2-CB 3.41Å; E50-L147 WeakPolarHBondContact OE2-CG 3.39Å; E50-L147 PolarHBondContact OE2-N 3.42Å; E53-L147 HydrophobicContact CB-CD1 4.36Å; E53-L147 HydrophobicContact CB-CD2 4.26Å; V54-L147 HydrophobicContact CG2-CD2 4.07Å; V54-L147 HydrophobicContact CG2-CG 4.31Å; L147-S151 WeakPolarHBondContact O-CB 3.33Å; L147-S151 PolarHBondContact O-N 3.34Å; L147-S151 PolarHBondContact O-OG 3.27Å
148Q98.2Very high97.4Very high126 Ų12649.6 Ų49.659%0.58926%0.26SS*.Hα-helixtrans-66.4-48.7174.9-179.2-177.9-6.500110.5N146 L150 S151 Q152N146-Q148 VanDerWaalsContact C-N 3.31Å; N146-Q148 PolarHBondContact O-N 2.97Å; N146-Q148 WeakPolarHBondContact OD1-CA 3.26Å; N146-Q148 VanDerWaalsContact OD1-CB 3.31Å; N146-Q148 WeakPolarHBondContact OD1-CB 3.35Å; N146-Q148 PolarHBondContact OD1-N 3.28Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 2.78Å; Q148-S151 PolarHBondContact O-N 3.23Å; Q148-S151 VanDerWaalsContact O-N 3.14Å; Q148-Q152 HydrophobicContact CG-CG 4.42Å; Q148-Q152 WeakPolarHBondContact O-CB 3.47Å; Q148-Q152 WeakPolarHBondContact O-CG 3.38Å; Q148-Q152 PolarHBondContact O-N 2.75Å
149T98.5Very high97.3Very high21 Ų2154.7 Ų54.713%0.12928%0.279CS..Hα-helixtrans-58.4-41.9175.6-60.80000111.3F121 I139 I141 M145 N146 G153F121-T149 HydrophobicContact CD1-CG2 4.25Å; F121-T149 HydrophobicContact CE1-CG2 4.32Å; I139-T149 HydrophobicContact CG2-CG2 4.41Å; I141-T149 HydrophobicContact CD1-CG2 4.18Å; I141-T149 HydrophobicContact CG1-CG2 3.95Å; M145-T149 HydrophobicContact CE-CG2 4.1Å; M145-T149 HydrophobicContact SD-CG2 3.74Å; N146-T149 PolarHBondContact ND2-OG1 2.87Å; N146-T149 PolarHBondContact O-N 3.1Å; N146-T149 PolarHBondContact OD1-N 3.42Å; N146-T149 PolarHBondContact OD1-OG1 3.46Å; T149-G153 PolarHBondContact O-N 3.08Å
150L98.5Very high97Very high2 Ų255.6 Ų55.61%0.0129%0.29CS..Hα-helixtrans-59.2-50.7174178.962.9000111.2V54 R57 L58 F121 M145 N146 Q148 Q152 G153 L154V54-L150 HydrophobicContact CG1-CB 4.39Å; V54-L150 HydrophobicContact CG1-CD1 4.45Å; V54-L150 HydrophobicContact CG1-CD2 4.14Å; V54-L150 HydrophobicContact CG2-CB 4.42Å; R57-L150 HydrophobicContact CB-CD2 3.9Å; R57-L150 HydrophobicContact CG-CD2 3.79Å; L58-L150 HydrophobicContact CD1-CD1 4.15Å; L58-L150 HydrophobicContact CD2-CD1 3.93Å; L58-L150 HydrophobicContact CG-CD1 3.97Å; L58-L150 HydrophobicContact CG-CD2 4.4Å; F121-L150 HydrophobicContact CE2-CD1 4.47Å; F121-L150 HydrophobicContact CZ-CD1 4.14Å; M145-L150 VanDerWaalsContact CE-CA 3.46Å; M145-L150 HydrophobicContact CE-CB 3.54Å; M145-L150 HydrophobicContact CE-CD1 4.1Å; M145-L150 HydrophobicContact CE-CG 4.42Å; N146-L150 PolarHBondContact O-N 3.04Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 PolarHBondContact O-N 2.78Å; L150-Q152 PolarHBondContact O-N 2.82Å; L150-G153 PolarHBondContact O-N 3.42Å; L150-L154 HydrophobicContact CD1-CD1 4.11Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.1Å; L150-L154 HydrophobicContact CG-CG 4.44Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.11Å
151S98Very high96.5Very high74 Ų7453.8 Ų53.852%0.51728%0.282SS..Hα-helixtrans-62.3-46.4-175.9-59.40000111.4L147 Q148 G153 L154 E155L147-S151 WeakPolarHBondContact O-CB 3.33Å; L147-S151 PolarHBondContact O-N 3.34Å; L147-S151 PolarHBondContact O-OG 3.27Å; Q148-S151 PolarHBondContact O-N 3.23Å; Q148-S151 VanDerWaalsContact O-N 3.14Å; S151-G153 VanDerWaalsContact C-N 3.34Å; S151-G153 PolarHBondContact O-N 3.33Å; S151-L154 PolarHBondContact O-N 3.11Å; S151-E155 PolarHBondContact O-N 2.93Å
152Q97.8Very high95.9Very high97 Ų9758 Ų5845%0.45331%0.308SS..Hα-helixtrans-63.5-39175.8-70.3175-20.400112.1Q148 L150 E155 T156Q148-Q152 HydrophobicContact CG-CG 4.42Å; Q148-Q152 WeakPolarHBondContact O-CB 3.47Å; Q148-Q152 WeakPolarHBondContact O-CG 3.38Å; Q148-Q152 PolarHBondContact O-N 2.75Å; L150-Q152 PolarHBondContact O-N 2.82Å; Q152-E155 PolarHBondContact O-N 2.86Å; Q152-T156 WeakPolarHBondContact O-CB 3.45Å; Q152-T156 PolarHBondContact O-N 3.12Å; Q152-T156 PolarHBondContact O-OG1 3.08Å
153G98.1Very high94.9Very high0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-62.3-49.2175.300000112.1I119 T149 L150 S151 E155 T156 F157I119-G153 WeakPolarHBondContact CD1-O 3.41Å; T149-G153 PolarHBondContact O-N 3.08Å; L150-G153 PolarHBondContact O-N 3.42Å; S151-G153 VanDerWaalsContact C-N 3.34Å; S151-G153 PolarHBondContact O-N 3.33Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 3.17Å; G153-T156 WeakPolarHBondContact O-CB 3.36Å; G153-T156 PolarHBondContact O-N 2.89Å; G153-F157 PolarHBondContact O-N 3.31Å
154L98.1Very high93.4Very high25 Ų2550.8 Ų50.813%0.13128%0.284CS..Hα-helixtrans-62.8-37.3177.9-67.9178.6000112.3L4 P5 L61 L150 S151 F157 A158L4-L154 HydrophobicContact CD2-CD2 4.5Å; P5-L154 HydrophobicContact CG-CD2 3.69Å; L61-L154 HydrophobicContact CD1-CD1 4.01Å; L150-L154 HydrophobicContact CD1-CD1 4.11Å; L150-L154 HydrophobicContact CD1-CG 4.12Å; L150-L154 HydrophobicContact CG-CD1 4.1Å; L150-L154 HydrophobicContact CG-CG 4.44Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.11Å; S151-L154 PolarHBondContact O-N 3.11Å; L154-F157 PolarHBondContact O-N 2.81Å; L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 3.28Å
155E97.3Very high91.5Very high103 Ų10357.1 Ų57.148%0.48131%0.307SS..Hα-helixtrans-65.3-43.7173.7-169.2-174.7166.500111.8S151 Q152 G153 F157 A158 K159S151-E155 PolarHBondContact O-N 2.93Å; Q152-E155 PolarHBondContact O-N 2.86Å; G153-E155 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 3.17Å; E155-F157 VanDerWaalsContact C-N 3.33Å; E155-F157 PolarHBondContact O-N 3.34Å; E155-A158 PolarHBondContact O-N 3.48Å; E155-K159 HydrophobicContact CG-CD 4.32Å; E155-K159 WeakPolarHBondContact O-CG 3.4Å; E155-K159 PolarHBondContact O-N 3.26Å; E155-K159 VanDerWaalsContact OE1-CE 3.25Å; E155-K159 WeakPolarHBondContact OE1-CE 3.4Å; E155-K159 IonicContact OE1-NZ 3.08Å; E155-K159 PolarHBondContact OE1-NZ 2.76Å
156T97.4Very high89.5Confident68 Ų6860.3 Ų60.342%0.41733%0.33SS..Hα-helixtrans-59.2-45.2175.8-59.70000110.9T137 I139 Q152 G153 K159 A160T137-T156 HydrophobicContact CG2-CG2 4.18Å; I139-T156 HydrophobicContact CD1-CG2 3.91Å; Q152-T156 WeakPolarHBondContact O-CB 3.45Å; Q152-T156 PolarHBondContact O-N 3.12Å; Q152-T156 PolarHBondContact O-OG1 3.08Å; G153-T156 WeakPolarHBondContact O-CB 3.36Å; G153-T156 PolarHBondContact O-N 2.89Å; T156-K159 PolarHBondContact O-N 3.04Å; T156-A160 PolarHBondContact O-N 3.36Å
157F97.8Very high87.5Confident4 Ų462.2 Ų62.22%0.01835%0.346CS..Hα-helixtrans-58.3-50.8174.1-178.5-89.4000111.4L4 P5 I119 T137 G153 L154 E155 K159 A160 Q161L4-F157 VanDerWaalsContact C-CE1 3.47Å; P5-F157 VanDerWaalsContact CA-CE1 3.46Å; P5-F157 VanDerWaalsContact CA-CZ 3.48Å; P5-F157 HydrophobicContact CB-CD1 4.18Å; P5-F157 HydrophobicContact CB-CD2 4.05Å; P5-F157 HydrophobicContact CB-CE1 3.97Å; P5-F157 HydrophobicContact CB-CE2 3.86Å; P5-F157 HydrophobicContact CB-CG 4.23Å; P5-F157 HydrophobicContact CB-CZ 3.82Å; P5-F157 HydrophobicContact CG-CD1 4.49Å; P5-F157 VanDerWaalsContact N-CE1 3.3Å; I119-F157 HydrophobicContact CB-CD2 4.22Å; I119-F157 HydrophobicContact CD1-CB 3.99Å; T137-F157 HydrophobicContact CG2-CB 4.17Å; T137-F157 HydrophobicContact CG2-CD2 4.33Å; T137-F157 WeakPolarHBondContact OG1-CD2 3.42Å; G153-F157 PolarHBondContact O-N 3.31Å; L154-F157 PolarHBondContact O-N 2.81Å; E155-F157 VanDerWaalsContact C-N 3.33Å; E155-F157 PolarHBondContact O-N 3.34Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.26Å; F157-A160 PolarHBondContact O-N 3.38Å; F157-Q161 HydrophobicContact CD1-CG 3.97Å; F157-Q161 HydrophobicContact CE1-CG 3.52Å; F157-Q161 HydrophobicContact CE2-CG 4.39Å; F157-Q161 HydrophobicContact CZ-CG 3.75Å; F157-Q161 WeakPolarHBondContact O-CG 3.46Å; F157-Q161 PolarHBondContact O-N 3.07Å
158A96.5Very high85.4Confident18 Ų1865.6 Ų65.615%0.14936%0.364CS..Hα-helixtrans-59.6-39.6-179.200000112.8L154 E155 Q161 T162L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 3.28Å; E155-A158 PolarHBondContact O-N 3.48Å; A158-Q161 PolarHBondContact O-N 3.16Å; A158-T162 PolarHBondContact O-N 2.93Å; A158-T162 PolarHBondContact O-OG1 3.5Å
159K94.8Very high83.2Confident133 Ų13365.9 Ų65.958%0.57837%0.365SS*.Hα-helixtrans-63.8-47.6174.9-75.5170.2171.7167.80111.7E155 T156 F157 Q161 T162 G163E155-K159 HydrophobicContact CG-CD 4.32Å; E155-K159 WeakPolarHBondContact O-CG 3.4Å; E155-K159 PolarHBondContact O-N 3.26Å; E155-K159 VanDerWaalsContact OE1-CE 3.25Å; E155-K159 WeakPolarHBondContact OE1-CE 3.4Å; E155-K159 IonicContact OE1-NZ 3.08Å; E155-K159 PolarHBondContact OE1-NZ 2.76Å; T156-K159 PolarHBondContact O-N 3.04Å; F157-K159 VanDerWaalsContact C-N 3.3Å; F157-K159 PolarHBondContact O-N 3.26Å; K159-Q161 VanDerWaalsContact C-N 3.29Å; K159-Q161 PolarHBondContact O-N 3.01Å; K159-T162 PolarHBondContact O-N 2.86Å; K159-G163 PolarHBondContact O-N 3.26Å
160A92.4Very high80.9Confident41 Ų4172.7 Ų72.734%0.33940%0.396SS..Hα-helixtrans-58-42177.800000111.9T156 F157 T162 G163 L164T156-A160 PolarHBondContact O-N 3.36Å; F157-A160 PolarHBondContact O-N 3.38Å; A160-T162 PolarHBondContact O-N 3.2Å; A160-G163 PolarHBondContact O-N 3.04Å; A160-L164 WeakPolarHBondContact O-CD1 3.45Å; A160-L164 PolarHBondContact O-N 2.73Å
161Q88.7Confident78.4Confident25 Ų2577.4 Ų77.412%0.11743%0.428CS..Hα-helixtrans-66.5-22.8177.9-65.2-56.3-54.300114R3 S116 F157 A158 K159R3-Q161 HydrophobicContact CB-CB 4.34Å; R3-Q161 HydrophobicContact CB-CG 4.46Å; R3-Q161 PolarHBondContact NH1-O 3.49Å; S116-Q161 PolarHBondContact O-NE2 2.83Å; F157-Q161 HydrophobicContact CD1-CG 3.97Å; F157-Q161 HydrophobicContact CE1-CG 3.52Å; F157-Q161 HydrophobicContact CE2-CG 4.39Å; F157-Q161 HydrophobicContact CZ-CG 3.75Å; F157-Q161 WeakPolarHBondContact O-CG 3.46Å; F157-Q161 PolarHBondContact O-N 3.07Å; A158-Q161 PolarHBondContact O-N 3.16Å; K159-Q161 VanDerWaalsContact C-N 3.29Å; K159-Q161 PolarHBondContact O-N 3.01Å
162T82.8Confident76.1Confident93 Ų9378.9 Ų78.957%0.57144%0.436SS*.Hα-helixtrans-81.8-41.7179.5-51.80000110.6A158 K159 A160 L164 R165A158-T162 PolarHBondContact O-N 2.93Å; A158-T162 PolarHBondContact O-OG1 3.5Å; K159-T162 PolarHBondContact O-N 2.86Å; A160-T162 PolarHBondContact O-N 3.2Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.87Å; T162-R165 PolarHBondContact O-N 2.71Å
163G72.1Confident73.8Confident41 Ų4184.1 Ų84.142%0.42346%0.458SS..Hα-helixtrans-65.9-30.917700000114.4K159 A160 R165 S166K159-G163 PolarHBondContact O-N 3.26Å; A160-G163 PolarHBondContact O-N 3.04Å; G163-R165 PolarHBondContact O-N 2.74Å; G163-S166 PolarHBondContact O-OG 3.23Å
164L60.8Low71.1Confident90 Ų9093.2 Ų93.247%0.47150%0.501SS..Hα-helixtrans-64.7-23.5174.1-98.9130.9000113.7A160 T162 S167A160-L164 WeakPolarHBondContact O-CD1 3.45Å; A160-L164 PolarHBondContact O-N 2.73Å; T162-L164 VanDerWaalsContact C-N 3.34Å; T162-L164 PolarHBondContact O-N 2.87Å; L164-S167 PolarHBondContact O-OG 3.02Å
165R57.6Low68.5Low134 Ų134100.2 Ų100.251%0.50656%0.562SS.*Hα-helixtrans-84.6-38.9-178.7-168.2177.5175.2165.74.3111.8T162 G163 S167 L168 E169T162-R165 PolarHBondContact O-N 2.71Å; G163-R165 PolarHBondContact O-N 2.74Å; R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 3.22Å; R165-L168 PolarHBondContact O-N 3.37Å; R165-L168 VanDerWaalsContact O-N 3.15Å; R165-E169 IonicContact CZ-OE1 3.56Å; R165-E169 IonicContact NE-OE1 2.85Å; R165-E169 PolarHBondContact NE-OE1 3Å; R165-E169 IonicContact NH2-OE1 3.4Å; R165-E169 PolarHBondContact NH2-OE1 2.97Å; R165-E169 PolarHBondContact O-N 3.35Å; R165-E169 VanDerWaalsContact O-N 3.17Å
166S57.6Low67.1Low69 Ų69100.1 Ų100.148%0.48357%0.566SS.*Hα-helixtrans-61.2-33.717641.80000112.5G163G163-S166 PolarHBondContact O-OG 3.23Å
167S56Low65.5Low79 Ų79101.7 Ų101.755%0.55257%0.574SS**THydrogen-bonded Turntrans-77.9-15.5177.3600000114.7L164 R165L164-S167 PolarHBondContact O-OG 3.02Å; R165-S167 VanDerWaalsContact C-N 3.25Å; R165-S167 PolarHBondContact O-N 3.22Å
168L54.2Low63.7Low135 Ų135107.2 Ų107.271%0.70760%0.604SS**THydrogen-bonded Turntrans-94.6-19.9176-73.1170.2000112.6R165R165-L168 PolarHBondContact O-N 3.37Å; R165-L168 VanDerWaalsContact O-N 3.15Å
169E53.2Low61.7Low132 Ų132112.4 Ų112.462%0.61763%0.631SS**THydrogen-bonded Turntrans-86.3-6.6175.4-70.9174.4-179.500112.4R165R165-E169 IonicContact CZ-OE1 3.56Å; R165-E169 IonicContact NE-OE1 2.85Å; R165-E169 PolarHBondContact NE-OE1 3Å; R165-E169 IonicContact NH2-OE1 3.4Å; R165-E169 PolarHBondContact NH2-OE1 2.97Å; R165-E169 PolarHBondContact O-N 3.35Å; R165-E169 VanDerWaalsContact O-N 3.17Å
170E49.8Very low59.7Low164 Ų164111.1 Ų111.177%0.76663%0.634SS**THydrogen-bonded Turntrans-100.924.1177-73.2-167.717000115P172E170-P172 WeakPolarHBondContact O-CD 3.38Å
171S44.7Very low57.5Low100 Ų100115.8 Ų115.870%0.69965%0.654SS**  trans-102.990.4164.3-177.80000109.7F173S171-F173 PolarHBondContact O-N 3.47Å
172P49.8Very low55.3Low106 Ų106122.3 Ų122.369%0.68869%0.693SS**  trans-68.6132.2161.527.7-24.5000107.3E170 E174E170-P172 WeakPolarHBondContact O-CD 3.38Å; P172-E174 PolarHBondContact O-N 3.13Å; P172-E174 VanDerWaalsContact O-N 3.08Å
173F50.4Low53.2Low207 Ų207124.5 Ų124.591%0.90870%0.702SS**  trans-36.7114.5157.9-102.1-109.3000110S171S171-F173 PolarHBondContact O-N 3.47Å
174E42.3Very low51.6Low191 Ų191131.5 Ų131.589%0.89373%0.725SS**  trans-95.2123.3152.3-83.6-174.3160.600107.5P172P172-E174 PolarHBondContact O-N 3.13Å; P172-E174 VanDerWaalsContact O-N 3.08Å
175A42.6Very low50.7Low171 Ų171135.3 Ų135.3100%1.41375%0.748SS**  trans-74.40-175.100000113.1

Retrieved 175 of 175 residues in 116.3 ms (Link to these results)

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