A0A060D2H9_MAIZE Loading...

NAC domain containing protein 47

AlphaFold DB , UniProt , Accession A0A060D2H9, Species MAIZE (Zea mays, Maize), Gene NAC44, Length 373 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
1M41.5Very low68.2Low239 Ų239111.1 Ų111.1100%1.17763%0.629SS**  072.10-179.417316300108.8
2V46.5Very low70Confident110 Ų110107.8 Ų107.867%0.66764%0.638SS**  trans-122.9-17.9-167.2-177.70000113.4A4V2-A4 PolarHBondContact O-N 3.46Å
3M52.6Low71.5Confident100 Ų100107.8 Ų107.849%0.49363%0.626SS.*THydrogen-bonded Turntrans-93.421.4-171.2-61.9-155.8-76.900115.8V38 F235M3-V38 HydrophobicContact CB-CG2 4.36Å; M3-V38 WeakPolarHBondContact O-CG2 3.41Å; M3-F235 HydrophobicContact CE-CE1 4.25Å; M3-F235 HydrophobicContact CE-CE2 4.28Å; M3-F235 HydrophobicContact CE-CZ 3.69Å; M3-F235 HydrophobicContact SD-CE1 4.27Å; M3-F235 HydrophobicContact SD-CZ 3.72Å
4A59.6Low72.9Confident73 Ų73109.4 Ų109.460%0.60362%0.616SS**THydrogen-bonded Turntrans-78.1-31.2-177.700000113.7V2V2-A4 PolarHBondContact O-N 3.46Å
5N66.4Low74.3Confident85 Ų85103.9 Ų103.946%0.45558%0.582SS.*  trans-115.4116.9-171.3-61.7-15000110.1D7 M8N5-D7 PolarHBondContact O-N 3.25Å; N5-M8 HydrophobicContact CB-CB 4.5Å; N5-M8 HydrophobicContact CB-CG 3.97Å; N5-M8 HydrophobicContact CB-SD 4Å; N5-M8 PolarHBondContact O-N 3.15Å
6P66.6Low75.5Confident45 Ų45106.6 Ų106.629%0.29259%0.589SS.*G310 helixtrans-64-23.1177.927.3-34.3000112.6M8 L9 Y60P6-M8 PolarHBondContact O-N 3.07Å; P6-L9 WeakPolarHBondContact O-CB 3.38Å; P6-L9 WeakPolarHBondContact O-CG 3.24Å; P6-L9 PolarHBondContact O-N 2.83Å; P6-Y60 HydrophobicContact CB-CD2 4.17Å; P6-Y60 HydrophobicContact CB-CE2 4.15Å; P6-Y60 HydrophobicContact CG-CD2 4.43Å
7D70.7Confident76.7Confident154 Ų154100.8 Ų100.882%0.82456%0.557SS**G310 helixtrans-70.7-10.9178.2-48.1-52.4000113.8N5N5-D7 PolarHBondContact O-N 3.25Å
8M81.7Confident77.9Confident127 Ų12798.9 Ų98.963%0.62655%0.549SS*.G310 helixtrans-94.72.1176.2-66-179.273.200113.2N5 P6N5-M8 HydrophobicContact CB-CB 4.5Å; N5-M8 HydrophobicContact CB-CG 3.97Å; N5-M8 HydrophobicContact CB-SD 4Å; N5-M8 PolarHBondContact O-N 3.15Å; P6-M8 PolarHBondContact O-N 3.07Å
9L84.5Confident78.9Confident77 Ų7796.4 Ų96.440%0.40353%0.534SS..SBendtrans-81.6142.6-179.5-62.2176.1000111.3P6 F13P6-L9 WeakPolarHBondContact O-CB 3.38Å; P6-L9 WeakPolarHBondContact O-CG 3.24Å; P6-L9 PolarHBondContact O-N 2.83Å; L9-F13 HydrophobicContact CB-CB 4.01Å
10P90.4Very high79.9Confident72 Ų7293.2 Ų93.247%0.46852%0.515SS..PPolyproline II helixtrans-60148.2175.9-21.632000112.1G12 F13P10-G12 PolarHBondContact O-N 3.15Å; P10-F13 HydrophobicContact CB-CD2 3.77Å; P10-F13 HydrophobicContact CB-CE2 3.99Å; P10-F13 HydrophobicContact CG-CD2 4.04Å; P10-F13 HydrophobicContact CG-CE2 4.08Å; P10-F13 WeakPolarHBondContact O-CB 3.32Å; P10-F13 WeakPolarHBondContact O-CD2 3.23Å; P10-F13 PolarHBondContact O-N 2.98Å
11P89.7Confident80.7Confident140 Ų14089.6 Ų89.691%0.90950%0.495SS*.THydrogen-bonded Turntrans-52.1130.2178.8-28.635.8000112.8
12G89.6Confident83.4Confident72 Ų7278.2 Ų78.274%0.74244%0.439SS*.THydrogen-bonded Turntrans97.1-19.6-176.900000114.8P10 R14P10-G12 PolarHBondContact O-N 3.15Å; G12-R14 PolarHBondContact O-N 2.79Å
13F89.7Confident85.8Confident108 Ų10873 Ų7347%0.47441%0.407SS..  trans-70.4129.7169.7-78.7-103.4000110.3L9 P10L9-F13 HydrophobicContact CB-CB 4.01Å; P10-F13 HydrophobicContact CB-CD2 3.77Å; P10-F13 HydrophobicContact CB-CE2 3.99Å; P10-F13 HydrophobicContact CG-CD2 4.04Å; P10-F13 HydrophobicContact CG-CE2 4.08Å; P10-F13 WeakPolarHBondContact O-CB 3.32Å; P10-F13 WeakPolarHBondContact O-CD2 3.23Å; P10-F13 PolarHBondContact O-N 2.98Å
14R91.8Very high87.9Confident129 Ų12969.3 Ų69.349%0.48739%0.389SS..  trans-148.2153.3-174.4-61-171.266.1102.215.8110.9G12 H16 D62G12-R14 PolarHBondContact O-N 2.79Å; R14-H16 PolarHBondContact O-N 2.9Å; R14-D62 IonicContact CZ-OD2 2.88Å; R14-D62 IonicContact NH1-OD2 3.11Å; R14-D62 PolarHBondContact NH1-OD2 2.81Å; R14-D62 IonicContact NH2-OD1 3.34Å; R14-D62 PolarHBondContact NH2-OD1 2.86Å; R14-D62 IonicContact NH2-OD2 3.05Å; R14-D62 PolarHBondContact NH2-OD2 2.91Å
15F93.1Very high89.6Confident27 Ų2769.5 Ų69.512%0.11838%0.377CS..  trans-68.899.6171.7-170.6-123.2000110.7P17 L22 Y26 I40 I41 Y60 Y66F15-P17 VanDerWaalsContact C-CD 3.46Å; F15-P17 HydrophobicContact CD1-CG 4.25Å; F15-P17 HydrophobicContact CD2-CG 4.32Å; F15-P17 HydrophobicContact CE1-CG 3.77Å; F15-P17 HydrophobicContact CE2-CB 4.13Å; F15-P17 HydrophobicContact CE2-CG 3.83Å; F15-P17 HydrophobicContact CZ-CB 4.22Å; F15-P17 HydrophobicContact CZ-CG 3.55Å; F15-L22 HydrophobicContact CE1-CD2 4.48Å; F15-L22 HydrophobicContact CZ-CD2 4.17Å; F15-Y26 HydrophobicContact CE2-CE1 4.33Å; F15-Y26 AromaticContact CE2-CE2 3.82Å; F15-Y26 HydrophobicContact CE2-CE2 3.82Å; F15-Y26 AromaticContact CE2-CZ 3.61Å; F15-Y26 WeakPolarHBondContact CE2-OH 2.97Å; F15-Y26 HydrophobicContact CZ-CD2 4.47Å; F15-Y26 HydrophobicContact CZ-CE1 4.29Å; F15-Y26 HydrophobicContact CZ-CE2 4.02Å; F15-Y26 AromaticContact CZ-CZ 3.93Å; F15-I40 HydrophobicContact CB-CD1 3.96Å; F15-I40 HydrophobicContact CD1-CG2 4.28Å; F15-I40 HydrophobicContact CD2-CG2 4.16Å; F15-I40 HydrophobicContact CE1-CG2 4.11Å; F15-I40 HydrophobicContact CE2-CG2 4.01Å; F15-I40 HydrophobicContact CG-CD1 4.22Å; F15-I40 HydrophobicContact CG-CG2 4.3Å; F15-I40 HydrophobicContact CZ-CG2 3.96Å; F15-I41 HydrophobicContact CE1-CD1 4.34Å; F15-I41 HydrophobicContact CE1-CG1 4.39Å; F15-I41 HydrophobicContact CZ-CD1 4.17Å; F15-I41 HydrophobicContact CZ-CG1 4.46Å; F15-Y60 HydrophobicContact CB-CD1 4.12Å; F15-Y60 HydrophobicContact CB-CE1 3.73Å; F15-Y66 AromaticContact CD1-CD2 3.76Å; F15-Y66 HydrophobicContact CD1-CD2 3.76Å; F15-Y66 HydrophobicContact CD1-CE1 4.42Å; F15-Y66 AromaticContact CD1-CE2 3.56Å; F15-Y66 HydrophobicContact CD1-CE2 3.56Å; F15-Y66 HydrophobicContact CD1-CG 4.28Å; F15-Y66 AromaticContact CD1-CZ 3.88Å; F15-Y66 AromaticContact CE1-CD1 3.86Å; F15-Y66 HydrophobicContact CE1-CD1 3.86Å; F15-Y66 AromaticContact CE1-CD2 3.75Å; F15-Y66 HydrophobicContact CE1-CD2 3.75Å; F15-Y66 AromaticContact CE1-CE1 3.85Å; F15-Y66 HydrophobicContact CE1-CE1 3.85Å; F15-Y66 AromaticContact CE1-CE2 3.77Å; F15-Y66 HydrophobicContact CE1-CE2 3.77Å; F15-Y66 AromaticContact CE1-CG 3.79Å; F15-Y66 HydrophobicContact CE1-CG 3.79Å; F15-Y66 AromaticContact CE1-CZ 3.78Å
16H93.9Very high91.1Very high147 Ų14766.4 Ų66.468%0.68136%0.359SS*.  trans-130.860.3177.9-161.771.6000112R14R14-H16 PolarHBondContact O-N 2.9Å
17P96.2Very high92.5Very high9 Ų964.2 Ų64.26%0.05835%0.346CS..  trans-71.8149.4-174.333.6-40.1000112.5F15 E21 L22 Y66 R166F15-P17 VanDerWaalsContact C-CD 3.46Å; F15-P17 HydrophobicContact CD1-CG 4.25Å; F15-P17 HydrophobicContact CD2-CG 4.32Å; F15-P17 HydrophobicContact CE1-CG 3.77Å; F15-P17 HydrophobicContact CE2-CB 4.13Å; F15-P17 HydrophobicContact CE2-CG 3.83Å; F15-P17 HydrophobicContact CZ-CB 4.22Å; F15-P17 HydrophobicContact CZ-CG 3.55Å; P17-E21 HydrophobicContact CB-CB 4.22Å; P17-L22 HydrophobicContact CB-CD2 3.99Å; P17-L22 HydrophobicContact CB-CG 3.96Å; P17-L22 HydrophobicContact CG-CD1 4.24Å; P17-L22 HydrophobicContact CG-CD2 3.43Å; P17-L22 VanDerWaalsContact CG-CD2 3.43Å; P17-L22 HydrophobicContact CG-CG 3.72Å; P17-Y66 HydrophobicContact CG-CE1 4.16Å; P17-R166 PolarHBondContact O-NH2 3.35Å; P17-R166 VanDerWaalsContact O-NH2 3.13Å
18T97.4Very high93.7Very high67 Ų6762.2 Ų62.241%0.41133%0.326SS..  trans-68.1164.2165.7630000111.9E20 E21 L22T18-E20 PolarHBondContact O-N 3.16Å; T18-E21 VanDerWaalsContact CB-OE2 3.3Å; T18-E21 WeakPolarHBondContact CB-OE2 3.44Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.4Å; T18-E21 PolarHBondContact N-OE2 3.09Å; T18-E21 PolarHBondContact O-N 2.93Å; T18-E21 WeakPolarHBondContact OG1-CB 3.32Å; T18-E21 VanDerWaalsContact OG1-CD 3.26Å; T18-E21 VanDerWaalsContact OG1-CG 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.42Å; T18-E21 PolarHBondContact OG1-N 3.47Å; T18-E21 VanDerWaalsContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 3.43Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 2.7Å
19D98.2Very high94.4Very high50 Ų5058.1 Ų58.127%0.26731%0.307SS..Hα-helixtrans-63.3-29.4175.5-70.9-9000112.1I23 I99 K112 Y135D19-I23 WeakPolarHBondContact O-CG1 3.47Å; D19-I99 HydrophobicContact CB-CD1 4.1Å; D19-I99 HydrophobicContact CB-CG1 4.17Å; D19-I99 HydrophobicContact CB-CG2 4.22Å; D19-K112 IonicContact OD1-NZ 3.3Å; D19-K112 PolarHBondContact OD1-NZ 3.38Å; D19-K112 WeakPolarHBondContact OD2-CD 3.1Å; D19-K112 IonicContact OD2-NZ 2.73Å; D19-K112 PolarHBondContact OD2-NZ 3.46Å; D19-Y135 HydrophobicContact CB-CE1 4.16Å; D19-Y135 WeakPolarHBondContact OD1-CE1 3.3Å; D19-Y135 PolarHBondContact OD1-OH 3.29Å; D19-Y135 VanDerWaalsContact OD1-OH 3.06Å
20E97.5Very high94.9Very high32 Ų3257.4 Ų57.415%0.1530%0.299CS..Hα-helixtrans-72.1-50.3174.7-179.4176.3-161.700111.6T18 L22 I23 L24 I99 S101 S102T18-E20 PolarHBondContact O-N 3.16Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 2.99Å; E20-I23 PolarHBondContact O-N 2.76Å; E20-L24 HydrophobicContact CG-CD1 3.51Å; E20-L24 HydrophobicContact CG-CG 3.83Å; E20-L24 PolarHBondContact O-N 2.83Å; E20-L24 VanDerWaalsContact OE1-CD1 3.31Å; E20-L24 WeakPolarHBondContact OE1-CD1 3.46Å; E20-I99 HydrophobicContact CB-CG2 4.38Å; E20-S101 WeakPolarHBondContact OE1-CA 3.34Å; E20-S101 WeakPolarHBondContact OE1-CB 3.49Å; E20-S101 PolarHBondContact OE1-OG 3.11Å; E20-S102 VanDerWaalsContact CD-N 3.3Å; E20-S102 VanDerWaalsContact CD-OG 3.28Å; E20-S102 PolarHBondContact OE1-N 3Å; E20-S102 PolarHBondContact OE1-OG 3.37Å; E20-S102 WeakPolarHBondContact OE2-CB 3.39Å; E20-S102 PolarHBondContact OE2-N 2.76Å; E20-S102 VanDerWaalsContact OE2-N 3.1Å; E20-S102 PolarHBondContact OE2-OG 2.79Å
21E97.7Very high95Very high19 Ų1955.4 Ų55.49%0.08929%0.289CS..Hα-helixtrans-59.5-38.9-178.3-72.3159.2138.600112P17 T18 I23 H25P17-E21 HydrophobicContact CB-CB 4.22Å; T18-E21 VanDerWaalsContact CB-OE2 3.3Å; T18-E21 WeakPolarHBondContact CB-OE2 3.44Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.4Å; T18-E21 PolarHBondContact N-OE2 3.09Å; T18-E21 PolarHBondContact O-N 2.93Å; T18-E21 WeakPolarHBondContact OG1-CB 3.32Å; T18-E21 VanDerWaalsContact OG1-CD 3.26Å; T18-E21 VanDerWaalsContact OG1-CG 3.26Å; T18-E21 WeakPolarHBondContact OG1-CG 3.42Å; T18-E21 PolarHBondContact OG1-N 3.47Å; T18-E21 VanDerWaalsContact OG1-N 3.15Å; T18-E21 PolarHBondContact OG1-OE2 3.43Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 3.43Å; E21-H25 PolarHBondContact O-N 3.43Å
22L98Very high95.2Very high0 Ų052.1 Ų52.10%027%0.273CS..Iπ-helixtrans-58.8-38.2173.7-74.3176.9000112.8F15 P17 T18 E20 Y26 L27 Y66 Y135 L164F15-L22 HydrophobicContact CE1-CD2 4.48Å; F15-L22 HydrophobicContact CZ-CD2 4.17Å; P17-L22 HydrophobicContact CB-CD2 3.99Å; P17-L22 HydrophobicContact CB-CG 3.96Å; P17-L22 HydrophobicContact CG-CD1 4.24Å; P17-L22 HydrophobicContact CG-CD2 3.43Å; P17-L22 VanDerWaalsContact CG-CD2 3.43Å; P17-L22 HydrophobicContact CG-CG 3.72Å; T18-L22 WeakPolarHBondContact O-CG 3.28Å; T18-L22 PolarHBondContact O-N 2.7Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 2.99Å; L22-Y26 WeakPolarHBondContact O-CB 3.46Å; L22-L27 PolarHBondContact O-N 3.24Å; L22-Y66 HydrophobicContact CD1-CE1 4.14Å; L22-Y66 HydrophobicContact CD2-CD1 4.04Å; L22-Y66 HydrophobicContact CD2-CE1 3.8Å; L22-Y135 HydrophobicContact CD1-CD1 4.44Å; L22-Y135 HydrophobicContact CD1-CD2 4.42Å; L22-Y135 HydrophobicContact CD1-CE1 3.87Å; L22-Y135 HydrophobicContact CD1-CE2 3.83Å; L22-L164 HydrophobicContact CB-CD1 4.29Å; L22-L164 HydrophobicContact CB-CD2 4.43Å; L22-L164 HydrophobicContact CD1-CD2 4.22Å; L22-L164 HydrophobicContact CD2-CD1 3.91Å; L22-L164 HydrophobicContact CD2-CD2 3.97Å; L22-L164 HydrophobicContact CG-CD2 4.45Å
23I97.1Very high95.3Very high0 Ų055.1 Ų55.10%027%0.272CS..Iπ-helixtrans-76.6-53.4177.8-67.5-65.8000110.5D19 E20 E21 L27 R28 I99 V109 Y135 R136 L137D19-I23 WeakPolarHBondContact O-CG1 3.47Å; E20-I23 PolarHBondContact O-N 2.76Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 3.43Å; I23-L27 HydrophobicContact CD1-CD2 3.85Å; I23-R28 VanDerWaalsContact O-CB 3.24Å; I23-R28 WeakPolarHBondContact O-CB 3.33Å; I23-R28 PolarHBondContact O-N 3.39Å; I23-I99 HydrophobicContact CD1-CD1 4.03Å; I23-I99 HydrophobicContact CG1-CD1 3.58Å; I23-I99 HydrophobicContact CG1-CG2 4.48Å; I23-V109 HydrophobicContact CB-CG2 4.32Å; I23-V109 HydrophobicContact CG2-CB 3.95Å; I23-V109 HydrophobicContact CG2-CG2 3.85Å; I23-V109 WeakPolarHBondContact CG2-O 3.27Å; I23-Y135 HydrophobicContact CD1-CD1 4.48Å; I23-R136 WeakPolarHBondContact CD1-O 3.34Å; I23-L137 HydrophobicContact CG2-CD2 4.1Å
24L95.4Very high95.6Very high23 Ų2352 Ų5212%0.1227%0.266CS..Iπ-helixtrans-72.4-40.8-167.9-68.4-169.8000114E20 R28 V109E20-L24 HydrophobicContact CG-CD1 3.51Å; E20-L24 HydrophobicContact CG-CG 3.83Å; E20-L24 PolarHBondContact O-N 2.83Å; E20-L24 VanDerWaalsContact OE1-CD1 3.31Å; E20-L24 WeakPolarHBondContact OE1-CD1 3.46Å; L24-R28 VanDerWaalsContact CD2-CZ 3.43Å; L24-R28 VanDerWaalsContact CD2-NH2 3.33Å; L24-V109 HydrophobicContact CD2-CB 4.03Å; L24-V109 HydrophobicContact CD2-CG1 3.92Å; L24-V109 HydrophobicContact CD2-CG2 4.37Å
25H95.9Very high95.6Very high76 Ų7651.3 Ų51.335%0.35228%0.278SS..Iπ-helixtrans-104.8-21.3-171.1-56.4-60.4000113.7E21 N29 P37E21-H25 PolarHBondContact O-N 3.43Å; H25-N29 PolarHBondContact O-ND2 3.23Å; H25-P37 HydrophobicContact CB-CG 4.03Å; H25-P37 VanDerWaalsContact O-CD 3.23Å; H25-P37 WeakPolarHBondContact O-CD 3.14Å
26Y97.6Very high95.6Very high20 Ų2051.7 Ų51.78%0.07828%0.284CS..Iπ-helixtrans-110-64.3-178.2-67.3-86.9000112F15 L22 N29 R30 C36 I40 I41F15-Y26 HydrophobicContact CE2-CE1 4.33Å; F15-Y26 AromaticContact CE2-CE2 3.82Å; F15-Y26 HydrophobicContact CE2-CE2 3.82Å; F15-Y26 AromaticContact CE2-CZ 3.61Å; F15-Y26 WeakPolarHBondContact CE2-OH 2.97Å; F15-Y26 HydrophobicContact CZ-CD2 4.47Å; F15-Y26 HydrophobicContact CZ-CE1 4.29Å; F15-Y26 HydrophobicContact CZ-CE2 4.02Å; F15-Y26 AromaticContact CZ-CZ 3.93Å; L22-Y26 WeakPolarHBondContact O-CB 3.46Å; Y26-N29 PolarHBondContact O-N 3.19Å; Y26-R30 WeakPolarHBondContact O-CB 3.28Å; Y26-R30 PolarHBondContact O-N 3.22Å; Y26-C36 HydrophobicContact CD1-CB 4.19Å; Y26-C36 HydrophobicContact CE1-CB 4.44Å; Y26-I40 HydrophobicContact CE1-CG2 4.08Å; Y26-I41 HydrophobicContact CD1-CD1 3.56Å; Y26-I41 HydrophobicContact CD1-CG1 4.12Å; Y26-I41 HydrophobicContact CE1-CD1 4.26Å; Y26-I41 HydrophobicContact CE1-CG1 4.49Å; Y26-I41 HydrophobicContact CG-CD1 3.83Å
27L97.5Very high95.5Very high0 Ų048.1 Ų48.10%027%0.274CS..Iπ-helixtrans-66.7-44.5-175.1-177.357.7000113.1L22 I23 R30 A31 F68 Y135 L137 W162 L164L22-L27 PolarHBondContact O-N 3.24Å; I23-L27 HydrophobicContact CD1-CD2 3.85Å; L27-R30 PolarHBondContact O-N 2.98Å; L27-A31 WeakPolarHBondContact O-CB 3.21Å; L27-A31 PolarHBondContact O-N 2.76Å; L27-F68 HydrophobicContact CD1-CD1 4.46Å; L27-Y135 WeakPolarHBondContact CD2-O 3.44Å; L27-L137 HydrophobicContact CB-CD2 4.49Å; L27-L137 HydrophobicContact CD2-CD2 4.2Å; L27-L137 HydrophobicContact CD2-CG 4.16Å; L27-L137 HydrophobicContact CG-CD2 4.04Å; L27-L137 HydrophobicContact CG-CG 4.12Å; L27-W162 HydrophobicContact CD1-CB 4.16Å; L27-L164 HydrophobicContact CB-CB 4.14Å; L27-L164 HydrophobicContact CB-CD1 4.42Å; L27-L164 HydrophobicContact CD1-CB 4.1Å; L27-L164 HydrophobicContact CD2-CB 4.32Å; L27-L164 HydrophobicContact CG-CB 4.41Å
28R95.1Very high95.3Very high111 Ų11149.1 Ų49.142%0.41928%0.28SS..Hα-helixtrans-59.4-47.6176.5178.8-173.4-75.3-176.7-6.6111.2I23 L24 A31 A32 L137I23-R28 VanDerWaalsContact O-CB 3.24Å; I23-R28 WeakPolarHBondContact O-CB 3.33Å; I23-R28 PolarHBondContact O-N 3.39Å; L24-R28 VanDerWaalsContact CD2-CZ 3.43Å; L24-R28 VanDerWaalsContact CD2-NH2 3.33Å; R28-A31 PolarHBondContact O-N 2.79Å; R28-A32 WeakPolarHBondContact O-CB 3.41Å; R28-A32 PolarHBondContact O-N 3.37Å; R28-L137 HydrophobicContact CB-CD2 4.15Å
29N95.3Very high95Very high41 Ų4150.5 Ų50.522%0.21930%0.298CS..Hα-helixtrans-62.3-46.3178.9-71.625.1000110.6H25 Y26 A31 A32 N33 A34 P35H25-N29 PolarHBondContact O-ND2 3.23Å; Y26-N29 PolarHBondContact O-N 3.19Å; N29-A31 PolarHBondContact O-N 3.33Å; N29-A32 CarbonylContact O-C 3.57Å; N29-A32 PolarHBondContact O-N 3.45Å; N29-A32 VanDerWaalsContact O-N 3.16Å; N29-N33 PolarHBondContact O-N 2.84Å; N29-N33 VanDerWaalsContact O-N 3.07Å; N29-A34 CarbonylContact C-O 3.53Å; N29-A34 HydrophobicContact CB-CB 4.22Å; N29-A34 PolarHBondContact O-N 2.72Å; N29-P35 PolarHBondContact ND2-O 3.21Å
30R95.8Very high94.7Very high63 Ų6349.1 Ų49.124%0.23829%0.29CS..Hα-helixtrans-60.3-43.9177.4-174.369-159.3-159.6-4.6113Y26 L27 A32 N33 D43 F68 W162Y26-R30 WeakPolarHBondContact O-CB 3.28Å; Y26-R30 PolarHBondContact O-N 3.22Å; L27-R30 PolarHBondContact O-N 2.98Å; R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.41Å; R30-N33 PolarHBondContact O-N 2.8Å; R30-N33 VanDerWaalsContact O-N 3.15Å; R30-D43 IonicContact CZ-OD1 2.95Å; R30-D43 IonicContact CZ-OD2 3.06Å; R30-D43 IonicContact NE-OD1 3.5Å; R30-D43 VanDerWaalsContact NH1-CG 3.26Å; R30-D43 IonicContact NH1-OD1 2.99Å; R30-D43 PolarHBondContact NH1-OD1 2.98Å; R30-D43 IonicContact NH1-OD2 2.76Å; R30-D43 PolarHBondContact NH1-OD2 3.09Å; R30-D43 IonicContact NH2-OD1 3.09Å; R30-D43 PolarHBondContact NH2-OD1 3.49Å; R30-D43 VanDerWaalsContact NH2-OD1 3.09Å; R30-D43 IonicContact NH2-OD2 2.7Å; R30-D43 PolarHBondContact NH2-OD2 3.07Å; R30-F68 HydrophobicContact CB-CD1 3.98Å; R30-F68 HydrophobicContact CB-CD2 4.4Å; R30-F68 HydrophobicContact CB-CE1 3.61Å; R30-F68 HydrophobicContact CB-CE2 4.06Å; R30-F68 HydrophobicContact CB-CG 4.36Å; R30-F68 HydrophobicContact CB-CZ 3.65Å; R30-F68 HydrophobicContact CG-CB 4.31Å; R30-F68 HydrophobicContact CG-CD1 3.77Å; R30-F68 HydrophobicContact CG-CD2 3.85Å; R30-F68 HydrophobicContact CG-CE1 3.92Å; R30-F68 HydrophobicContact CG-CE2 4Å; R30-F68 HydrophobicContact CG-CG 3.73Å; R30-F68 HydrophobicContact CG-CZ 4.03Å; R30-W162 HydrophobicContact CG-CB 4.4Å; R30-W162 HydrophobicContact CG-CD2 4.1Å; R30-W162 HydrophobicContact CG-CG 3.9Å; R30-W162 VanDerWaalsContact NH2-CH2 3.3Å
31A93.2Very high94.7Very high30 Ų3048.3 Ų48.325%0.24829%0.287CS..Hα-helixtrans-64.3-34.7176.400000112.6L27 R28 N29 N33 L137L27-A31 WeakPolarHBondContact O-CB 3.21Å; L27-A31 PolarHBondContact O-N 2.76Å; R28-A31 PolarHBondContact O-N 2.79Å; N29-A31 PolarHBondContact O-N 3.33Å; A31-N33 VanDerWaalsContact C-N 3.28Å; A31-N33 PolarHBondContact O-N 3.21Å; A31-L137 HydrophobicContact CB-CD1 3.74Å
32A92.8Very high94.6Very high70 Ų7048.4 Ų48.458%0.57929%0.291SS*.THydrogen-bonded Turntrans-80.6-1.2175.100000114.3R28 N29 R30 A34R28-A32 WeakPolarHBondContact O-CB 3.41Å; R28-A32 PolarHBondContact O-N 3.37Å; N29-A32 CarbonylContact O-C 3.57Å; N29-A32 PolarHBondContact O-N 3.45Å; N29-A32 VanDerWaalsContact O-N 3.16Å; R30-A32 VanDerWaalsContact C-N 3.3Å; R30-A32 PolarHBondContact O-N 3.41Å; A32-A34 HydrophobicContact CB-CB 4.33Å; A32-A34 PolarHBondContact O-N 3.08Å
33N92.9Very high94.6Very high136 Ų13652.4 Ų52.473%0.72731%0.312SS*.THydrogen-bonded Turntrans53.328.9-167-55.2-74.4000113.7N29 R30 A31N29-N33 PolarHBondContact O-N 2.84Å; N29-N33 VanDerWaalsContact O-N 3.07Å; R30-N33 PolarHBondContact O-N 2.8Å; R30-N33 VanDerWaalsContact O-N 3.15Å; A31-N33 VanDerWaalsContact C-N 3.28Å; A31-N33 PolarHBondContact O-N 3.21Å
34A94.3Very high94.6Very high42 Ų4253.2 Ų53.235%0.34732%0.317SS..PPolyproline II helixtrans-88.7153.2173.700000110.9N29 A32 C36N29-A34 CarbonylContact C-O 3.53Å; N29-A34 HydrophobicContact CB-CB 4.22Å; N29-A34 PolarHBondContact O-N 2.72Å; A32-A34 HydrophobicContact CB-CB 4.33Å; A32-A34 PolarHBondContact O-N 3.08Å; A34-C36 PolarHBondContact O-N 2.89Å
35P92.8Very high94.6Very high115 Ų11554.1 Ų54.175%0.74732%0.322SS*.PPolyproline II helixtrans-58.8133.6176.7-24.534.6000112.8N29N29-P35 PolarHBondContact ND2-O 3.21Å
36C93.1Very high94.7Very high34 Ų3450.5 Ų50.523%0.2331%0.306CS..PPolyproline II helixtrans-74.9152.3165.7-64.10000110Y26 A34 V38Y26-C36 HydrophobicContact CD1-CB 4.19Å; Y26-C36 HydrophobicContact CE1-CB 4.44Å; A34-C36 PolarHBondContact O-N 2.89Å; C36-V38 PolarHBondContact O-N 2.95Å
37P91.8Very high94.6Very high73 Ų7350.5 Ų50.547%0.47431%0.306SS..SBendtrans-57.3-35.7178.4-25.333.2000114H25H25-P37 HydrophobicContact CB-CG 4.03Å; H25-P37 VanDerWaalsContact O-CD 3.23Å; H25-P37 WeakPolarHBondContact O-CD 3.14Å
38V90.9Very high94.5Very high30 Ų3056.6 Ų56.618%0.18233%0.332CS..SBendtrans-142139.7175.1-171.50000108.5M3 C36 I40M3-V38 HydrophobicContact CB-CG2 4.36Å; M3-V38 WeakPolarHBondContact O-CG2 3.41Å; C36-V38 PolarHBondContact O-N 2.95Å; V38-I40 HydrophobicContact CG1-CB 4.14Å; V38-I40 PolarHBondContact O-N 3.02Å
39A91.4Very high94.7Very high96 Ų9653.5 Ų53.579%0.79332%0.322SS*.  trans-79.746.4-179.700000113.2
40I92.8Very high94.8Very high20 Ų2052.6 Ų52.610%0.10332%0.317CS..  trans-90.9-5.7-170.8-156.3159.3000114.3F15 Y26 V38 Y60F15-I40 HydrophobicContact CB-CD1 3.96Å; F15-I40 HydrophobicContact CD1-CG2 4.28Å; F15-I40 HydrophobicContact CD2-CG2 4.16Å; F15-I40 HydrophobicContact CE1-CG2 4.11Å; F15-I40 HydrophobicContact CE2-CG2 4.01Å; F15-I40 HydrophobicContact CG-CD1 4.22Å; F15-I40 HydrophobicContact CG-CG2 4.3Å; F15-I40 HydrophobicContact CZ-CG2 3.96Å; Y26-I40 HydrophobicContact CE1-CG2 4.08Å; V38-I40 HydrophobicContact CG1-CB 4.14Å; V38-I40 PolarHBondContact O-N 3.02Å; I40-Y60 HydrophobicContact CD1-CD1 3.79Å; I40-Y60 HydrophobicContact CD1-CD2 4.19Å; I40-Y60 HydrophobicContact CD1-CE1 4.25Å; I40-Y60 HydrophobicContact CD1-CG 3.76Å; I40-Y60 VanDerWaalsContact CG1-CB 3.48Å; I40-Y60 HydrophobicContact CG1-CD1 4Å; I40-Y60 HydrophobicContact CG1-CG 3.77Å
41I96.5Very high94.9Very high16 Ų1649.6 Ų49.68%0.08231%0.306CS..SBendtrans-115.1123.6-177.6-56.4-171.6000108.6F15 Y26 F68 L164F15-I41 HydrophobicContact CE1-CD1 4.34Å; F15-I41 HydrophobicContact CE1-CG1 4.39Å; F15-I41 HydrophobicContact CZ-CD1 4.17Å; F15-I41 HydrophobicContact CZ-CG1 4.46Å; Y26-I41 HydrophobicContact CD1-CD1 3.56Å; Y26-I41 HydrophobicContact CD1-CG1 4.12Å; Y26-I41 HydrophobicContact CE1-CD1 4.26Å; Y26-I41 HydrophobicContact CE1-CG1 4.49Å; Y26-I41 HydrophobicContact CG-CD1 3.83Å; I41-F68 HydrophobicContact CB-CD2 4.06Å; I41-F68 HydrophobicContact CB-CE2 3.68Å; I41-F68 HydrophobicContact CB-CZ 4.16Å; I41-F68 HydrophobicContact CD1-CZ 4.2Å; I41-F68 HydrophobicContact CG2-CD1 4.25Å; I41-F68 HydrophobicContact CG2-CD2 3.51Å; I41-F68 HydrophobicContact CG2-CE1 4.3Å; I41-F68 HydrophobicContact CG2-CE2 3.57Å; I41-F68 HydrophobicContact CG2-CG 3.87Å; I41-F68 HydrophobicContact CG2-CZ 3.98Å; I41-L164 HydrophobicContact CD1-CD1 3.68Å; I41-L164 HydrophobicContact CD1-CG 4.4Å
42A96.6Very high95.1Very high21 Ų2153 Ų5317%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-88.4147.8-17600000112.7V44 A59 Y66 F67 F68A42-V44 HydrophobicContact CB-CG2 4.16Å; A42-V44 PolarHBondContact O-N 3.26Å; A42-A59 HydrophobicContact CB-CB 4.41Å; A42-Y66 PolarHBondContact N-O 2.85Å; A42-F67 HydrophobicContact CB-CD1 4.37Å; A42-F67 CarbonylContact O-C 3.59Å; A42-F67 VanDerWaalsContact O-CA 3.27Å; A42-F67 WeakPolarHBondContact O-CA 3.38Å; A42-F68 PolarHBondContact O-N 3.18Å
43D96.8Very high95.4Very high83 Ų8352.8 Ų52.844%0.44430%0.301SS..EExtended strand (participates in β ladder)trans-83.1107.9173.1-61.5-35.4000110.1R30 W162R30-D43 IonicContact CZ-OD1 2.95Å; R30-D43 IonicContact CZ-OD2 3.06Å; R30-D43 IonicContact NE-OD1 3.5Å; R30-D43 VanDerWaalsContact NH1-CG 3.26Å; R30-D43 IonicContact NH1-OD1 2.99Å; R30-D43 PolarHBondContact NH1-OD1 2.98Å; R30-D43 IonicContact NH1-OD2 2.76Å; R30-D43 PolarHBondContact NH1-OD2 3.09Å; R30-D43 IonicContact NH2-OD1 3.09Å; R30-D43 PolarHBondContact NH2-OD1 3.49Å; R30-D43 VanDerWaalsContact NH2-OD1 3.09Å; R30-D43 IonicContact NH2-OD2 2.7Å; R30-D43 PolarHBondContact NH2-OD2 3.07Å; D43-W162 HydrophobicContact CB-CH2 4.36Å; D43-W162 HydrophobicContact CB-CZ3 4.43Å
44V97.1Very high95.6Very high17 Ų1746.3 Ų46.310%0.10327%0.266CS..  trans-142.7126.6-176.2-178.40000109.9A42 I46 F49 L54 R57 F67 F68 S69A42-V44 HydrophobicContact CB-CG2 4.16Å; A42-V44 PolarHBondContact O-N 3.26Å; V44-I46 VanDerWaalsContact C-N 3.27Å; V44-I46 HydrophobicContact CB-CG2 4.4Å; V44-I46 HydrophobicContact CG1-CG2 4.3Å; V44-I46 WeakPolarHBondContact O-CG2 3.36Å; V44-I46 PolarHBondContact O-N 3.38Å; V44-F49 HydrophobicContact CG1-CD2 3.86Å; V44-F49 HydrophobicContact CG1-CE2 3.66Å; V44-L54 HydrophobicContact CG1-CD2 4.29Å; V44-R57 HydrophobicContact CG2-CB 4.29Å; V44-F67 HydrophobicContact CB-CB 4.42Å; V44-F67 HydrophobicContact CB-CD1 3.72Å; V44-F67 HydrophobicContact CB-CE1 4.44Å; V44-F67 HydrophobicContact CB-CG 4.34Å; V44-F67 HydrophobicContact CG1-CD1 4.44Å; V44-F67 HydrophobicContact CG2-CD1 3.55Å; V44-F67 HydrophobicContact CG2-CE1 4.01Å; V44-F68 PolarHBondContact N-O 3.27Å; V44-S69 WeakPolarHBondContact O-CA 3.18Å; V44-S69 VanDerWaalsContact O-CB 3.31Å; V44-S69 WeakPolarHBondContact O-CB 3.31Å; V44-S69 PolarHBondContact O-OG 3.3Å
45D96.1Very high95.8Very high43 Ų4346 Ų4623%0.2326%0.261CS..  trans-72.586.4164.6-174.2-10.8000109.4Y47 K48 F49 P70D45-Y47 PolarHBondContact O-N 3.35Å; D45-Y47 VanDerWaalsContact O-N 3.08Å; D45-Y47 PolarHBondContact OD1-N 3.3Å; D45-K48 HydrophobicContact CB-CG 4Å; D45-K48 PolarHBondContact O-N 3.43Å; D45-K48 WeakPolarHBondContact OD2-CE 3.14Å; D45-K48 IonicContact OD2-NZ 3.9Å; D45-F49 WeakPolarHBondContact O-CD2 3.13Å; D45-F49 WeakPolarHBondContact O-CE2 3.24Å; D45-P70 HydrophobicContact CB-CG 4.06Å
46I97.5Very high96Very high0 Ų045.4 Ų45.40%026%0.259CS..G310 helixtrans-61.3-18.7-17670-165.6000112.6V44 K48 F49 L54 F67 M132 C165V44-I46 VanDerWaalsContact C-N 3.27Å; V44-I46 HydrophobicContact CB-CG2 4.4Å; V44-I46 HydrophobicContact CG1-CG2 4.3Å; V44-I46 WeakPolarHBondContact O-CG2 3.36Å; V44-I46 PolarHBondContact O-N 3.38Å; I46-K48 PolarHBondContact O-N 3.08Å; I46-F49 PolarHBondContact O-N 3.21Å; I46-L54 HydrophobicContact CB-CD1 4.28Å; I46-L54 HydrophobicContact CB-CD2 4.25Å; I46-L54 HydrophobicContact CG2-CD1 4.49Å; I46-L54 HydrophobicContact CG2-CD2 4.2Å; I46-F67 HydrophobicContact CG2-CB 3.77Å; I46-F67 HydrophobicContact CG2-CD2 4.07Å; I46-F67 HydrophobicContact CG2-CG 3.91Å; I46-M132 HydrophobicContact CD1-CE 3.46Å; I46-M132 VanDerWaalsContact CD1-CE 3.46Å; I46-M132 HydrophobicContact CD1-SD 3.85Å; I46-M132 HydrophobicContact CG1-CE 4.07Å; I46-C165 HydrophobicContact CD1-CB 3.59Å; I46-C165 WeakPolarHBondContact CD1-SG 3.35Å
47Y96.2Very high96.1Very high20 Ų2049.2 Ų49.28%0.07827%0.269CS..G310 helixtrans-80.84.1178.1-60.5-68.7000112.9D45 R83 A85 W90 E134D45-Y47 PolarHBondContact O-N 3.35Å; D45-Y47 VanDerWaalsContact O-N 3.08Å; D45-Y47 PolarHBondContact OD1-N 3.3Å; Y47-R83 HydrophobicContact CE1-CB 4.35Å; Y47-R83 HydrophobicContact CE1-CG 3.94Å; Y47-A85 HydrophobicContact CD1-CB 4.43Å; Y47-A85 WeakPolarHBondContact O-CA 3.23Å; Y47-W90 AromaticContact CE1-CD1 3.99Å; Y47-E134 PolarHBondContact OH-OE2 3.39Å
48K96.2Very high96.4Very high128 Ų12846.9 Ų46.956%0.55726%0.256SS*.G310 helixtrans-97.7-10.7170.6-53.7-59.8168.3177.70114.1D45 I46D45-K48 HydrophobicContact CB-CG 4Å; D45-K48 PolarHBondContact O-N 3.43Å; D45-K48 WeakPolarHBondContact OD2-CE 3.14Å; D45-K48 IonicContact OD2-NZ 3.9Å; I46-K48 PolarHBondContact O-N 3.08Å
49F97.9Very high96.5Very high46 Ų4648.5 Ų48.520%0.20227%0.272CS..SBendtrans-122.5153.8-169.4-53.7-66.6000112.1V44 D45 I46 L54 R57V44-F49 HydrophobicContact CG1-CD2 3.86Å; V44-F49 HydrophobicContact CG1-CE2 3.66Å; D45-F49 WeakPolarHBondContact O-CD2 3.13Å; D45-F49 WeakPolarHBondContact O-CE2 3.24Å; I46-F49 PolarHBondContact O-N 3.21Å; F49-L54 HydrophobicContact CB-CD2 3.82Å; F49-L54 HydrophobicContact CB-CG 4.38Å; F49-L54 HydrophobicContact CD2-CD2 3.96Å; F49-L54 HydrophobicContact CG-CD2 4.25Å; F49-R57 VanDerWaalsContact CE1-NH2 3.28Å
50D98.3Very high96.5Very high22 Ų2246.5 Ų46.512%0.11825%0.245CC..  trans-73.6149.3162.9-74.6-66.1000110W52 D53 G86 S87 F117D50-W52 HydrophobicContact CB-CD2 3.88Å; D50-W52 HydrophobicContact CB-CE3 4.38Å; D50-W52 HydrophobicContact CB-CG 4.41Å; D50-W52 HydrophobicContact CB-CH2 4.03Å; D50-W52 HydrophobicContact CB-CZ2 3.43Å; D50-W52 VanDerWaalsContact CB-CZ2 3.43Å; D50-W52 HydrophobicContact CB-CZ3 4.46Å; D50-W52 VanDerWaalsContact CG-CZ2 3.44Å; D50-W52 PolarHBondContact O-N 3.47Å; D50-W52 VanDerWaalsContact O-N 3.14Å; D50-D53 PolarHBondContact O-N 3.5Å; D50-G86 WeakPolarHBondContact OD2-CA 3.44Å; D50-S87 VanDerWaalsContact CG-N 3.29Å; D50-S87 WeakPolarHBondContact OD1-CB 3.39Å; D50-S87 PolarHBondContact OD1-N 3.4Å; D50-S87 PolarHBondContact OD1-OG 2.94Å; D50-S87 PolarHBondContact OD2-N 3.13Å; D50-F117 VanDerWaalsContact OD1-CZ 3.29Å; D50-F117 WeakPolarHBondContact OD1-CZ 3.4Å
51P98.2Very high96.3Very high0 Ų046.5 Ų46.50%025%0.249CC..THydrogen-bonded Turntrans-67.2-20.4-169.928.2-38.2000114D53 P55 W90 F117 W130P51-D53 VanDerWaalsContact C-N 3.34Å; P51-P55 WeakPolarHBondContact O-CD 3.41Å; P51-W90 HydrophobicContact CB-CH2 3.95Å; P51-W90 HydrophobicContact CB-CZ2 3.79Å; P51-F117 HydrophobicContact CG-CB 4.04Å; P51-F117 HydrophobicContact CG-CD1 3.54Å; P51-F117 HydrophobicContact CG-CD2 4.19Å; P51-F117 HydrophobicContact CG-CE1 3.94Å; P51-F117 HydrophobicContact CG-CG 3.67Å; P51-F117 HydrophobicContact CG-CZ 4.41Å; P51-W130 HydrophobicContact CB-CB 3.68Å; P51-W130 HydrophobicContact CB-CD2 3.65Å; P51-W130 HydrophobicContact CB-CE3 3.9Å; P51-W130 HydrophobicContact CB-CG 3.55Å; P51-W130 HydrophobicContact CG-CB 3.66Å; P51-W130 HydrophobicContact CG-CD2 3.96Å; P51-W130 HydrophobicContact CG-CG 3.44Å; P51-W130 VanDerWaalsContact CG-CG 3.44Å; P51-W130 WeakPolarHBondContact O-CH2 3.49Å; P51-W130 VanDerWaalsContact O-CZ3 3.31Å; P51-W130 WeakPolarHBondContact O-CZ3 3.44Å
52W97.4Very high96Very high100 Ų10050.4 Ų50.438%0.37927%0.27SS..THydrogen-bonded Turntrans-78.3-15.4174.251.176.5000113.8D50 P55 F117 E119 W130D50-W52 HydrophobicContact CB-CD2 3.88Å; D50-W52 HydrophobicContact CB-CE3 4.38Å; D50-W52 HydrophobicContact CB-CG 4.41Å; D50-W52 HydrophobicContact CB-CH2 4.03Å; D50-W52 HydrophobicContact CB-CZ2 3.43Å; D50-W52 VanDerWaalsContact CB-CZ2 3.43Å; D50-W52 HydrophobicContact CB-CZ3 4.46Å; D50-W52 VanDerWaalsContact CG-CZ2 3.44Å; D50-W52 PolarHBondContact O-N 3.47Å; D50-W52 VanDerWaalsContact O-N 3.14Å; W52-P55 WeakPolarHBondContact O-CD 3.47Å; W52-F117 HydrophobicContact CH2-CE1 4.19Å; W52-F117 HydrophobicContact CZ3-CD1 4.45Å; W52-F117 AromaticContact CZ3-CE1 3.98Å; W52-F117 HydrophobicContact CZ3-CE1 3.98Å; W52-E119 HydrophobicContact CH2-CG 4.31Å; W52-W130 VanDerWaalsContact CA-CZ2 3.43Å; W52-W130 HydrophobicContact CB-CH2 4.46Å; W52-W130 HydrophobicContact CB-CZ2 3.63Å; W52-W130 AromaticContact CE3-NE1 3.78Å
53D98.1Very high95.9Very high66 Ų6657.8 Ų57.835%0.35330%0.298SS..SBendtrans-92.2-7.9174-57.4-39000112.8D50 P51 S56D50-D53 PolarHBondContact O-N 3.5Å; P51-D53 VanDerWaalsContact C-N 3.34Å; D53-S56 PolarHBondContact O-OG 3.27Å; D53-S56 VanDerWaalsContact O-OG 3.13Å
54L97.8Very high95.9Very high0 Ų055.7 Ų55.70%029%0.286CS..SBendtrans-71.5-39.8177.9-66177.1000113.8V44 I46 F49 S56 R57 A58 F67 I167V44-L54 HydrophobicContact CG1-CD2 4.29Å; I46-L54 HydrophobicContact CB-CD1 4.28Å; I46-L54 HydrophobicContact CB-CD2 4.25Å; I46-L54 HydrophobicContact CG2-CD1 4.49Å; I46-L54 HydrophobicContact CG2-CD2 4.2Å; F49-L54 HydrophobicContact CB-CD2 3.82Å; F49-L54 HydrophobicContact CB-CG 4.38Å; F49-L54 HydrophobicContact CD2-CD2 3.96Å; F49-L54 HydrophobicContact CG-CD2 4.25Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 2.91Å; L54-R57 WeakPolarHBondContact O-CB 3.08Å; L54-R57 PolarHBondContact O-N 2.61Å; L54-A58 PolarHBondContact O-N 3.16Å; L54-F67 HydrophobicContact CB-CE2 4.03Å; L54-F67 HydrophobicContact CB-CZ 3.93Å; L54-F67 VanDerWaalsContact O-CZ 3.28Å; L54-F67 WeakPolarHBondContact O-CZ 3.46Å; L54-I167 HydrophobicContact CD1-CD1 4.14Å; L54-I167 HydrophobicContact CD1-CG1 3.92Å; L54-I167 HydrophobicContact CD1-CG2 4.21Å
55P97.4Very high95.9Very high35 Ų3556.2 Ų56.223%0.22729%0.286CS..G310 helixtrans-51.1-41.9178.5-31.437.2000114.8P51 W52 R57 A58 W65 W130P51-P55 WeakPolarHBondContact O-CD 3.41Å; W52-P55 WeakPolarHBondContact O-CD 3.47Å; P55-R57 PolarHBondContact O-N 2.87Å; P55-A58 PolarHBondContact O-N 3.16Å; P55-W65 HydrophobicContact CB-CD2 4Å; P55-W65 HydrophobicContact CB-CE3 4.49Å; P55-W65 HydrophobicContact CB-CH2 4.23Å; P55-W65 HydrophobicContact CB-CZ2 3.7Å; P55-W65 HydrophobicContact CG-CD2 3.9Å; P55-W65 HydrophobicContact CG-CE3 3.89Å; P55-W65 HydrophobicContact CG-CH2 3.77Å; P55-W65 HydrophobicContact CG-CZ2 3.77Å; P55-W65 HydrophobicContact CG-CZ3 3.83Å; P55-W130 HydrophobicContact CG-CH2 4Å; P55-W130 HydrophobicContact CG-CZ3 4.41Å
56S96.9Very high96.1Very high103 Ų10354.4 Ų54.472%0.7228%0.276SS*.G310 helixtrans-73.8-5.4179.757.60000114.3D53 L54D53-S56 PolarHBondContact O-OG 3.27Å; D53-S56 VanDerWaalsContact O-OG 3.13Å; L54-S56 VanDerWaalsContact C-N 3.29Å; L54-S56 PolarHBondContact O-N 2.91Å
57R97.1Very high96.1Very high115 Ų11554.4 Ų54.443%0.43428%0.276SS..G310 helixtrans-106.4-3.8177-59.7175.9179.8-80.6-6.7112.8V44 F49 L54 P55 F67V44-R57 HydrophobicContact CG2-CB 4.29Å; F49-R57 VanDerWaalsContact CE1-NH2 3.28Å; L54-R57 WeakPolarHBondContact O-CB 3.08Å; L54-R57 PolarHBondContact O-N 2.61Å; P55-R57 PolarHBondContact O-N 2.87Å; R57-F67 HydrophobicContact CB-CE1 4.33Å
58A96.4Very high96.2Very high23 Ų2353.7 Ų53.719%0.1927%0.273CS..  trans-79.4143.5177.800000110.7L54 P55 Y60 W65 F67L54-A58 PolarHBondContact O-N 3.16Å; P55-A58 PolarHBondContact O-N 3.16Å; A58-Y60 VanDerWaalsContact C-N 3.26Å; A58-W65 HydrophobicContact CB-CB 3.92Å; A58-W65 VanDerWaalsContact CB-CD1 3.43Å; A58-W65 HydrophobicContact CB-CG 3.97Å; A58-F67 HydrophobicContact CB-CE1 4.01Å; A58-F67 HydrophobicContact CB-CZ 3.89Å
59A93.1Very high96.2Very high64 Ų6447.6 Ų47.653%0.52925%0.247SC..SBendtrans-71-23.8170.400000112.5A42A42-A59 HydrophobicContact CB-CB 4.41Å
60Y91.1Very high96.1Very high55 Ų5546 Ų4622%0.21624%0.242CC..SBendtrans-160.4151-177.8179.6-93.1000111.1P6 F15 I40 A58P6-Y60 HydrophobicContact CB-CD2 4.17Å; P6-Y60 HydrophobicContact CB-CE2 4.15Å; P6-Y60 HydrophobicContact CG-CD2 4.43Å; F15-Y60 HydrophobicContact CB-CD1 4.12Å; F15-Y60 HydrophobicContact CB-CE1 3.73Å; I40-Y60 HydrophobicContact CD1-CD1 3.79Å; I40-Y60 HydrophobicContact CD1-CD2 4.19Å; I40-Y60 HydrophobicContact CD1-CE1 4.25Å; I40-Y60 HydrophobicContact CD1-CG 3.76Å; I40-Y60 VanDerWaalsContact CG1-CB 3.48Å; I40-Y60 HydrophobicContact CG1-CD1 4Å; I40-Y60 HydrophobicContact CG1-CG 3.77Å; A58-Y60 VanDerWaalsContact C-N 3.26Å
61G90.5Very high95.8Very high19 Ų1945.6 Ų45.620%0.19624%0.238CC..  trans130.5142.8166.600000114.8W65G61-W65 PolarHBondContact O-NE1 2.98Å
62D90.1Very high95.3Very high99 Ų9948 Ų4853%0.52925%0.251SS..SBendtrans-108.4-33.7-177.2-50.8-5.4000112.7R14 W65R14-D62 IonicContact CZ-OD2 2.88Å; R14-D62 IonicContact NH1-OD2 3.11Å; R14-D62 PolarHBondContact NH1-OD2 2.81Å; R14-D62 IonicContact NH2-OD1 3.34Å; R14-D62 PolarHBondContact NH2-OD1 2.86Å; R14-D62 IonicContact NH2-OD2 3.05Å; R14-D62 PolarHBondContact NH2-OD2 2.91Å; D62-W65 WeakPolarHBondContact O-CZ2 3.49Å
63K93.8Very high94.9Very high175 Ų17544.7 Ų44.776%0.76124%0.239SC*.SBendtrans-125.9-24.5-173.5-62.1179.9-176.1174.70113Y168K63-Y168 WeakPolarHBondContact O-CB 3.39Å
64E96.9Very high94.6Very high39 Ų3945.6 Ų45.618%0.18224%0.239CC..EExtended strand (participates in β ladder)trans-140.7142.2175.654.5176.3-146.300108.8Y66 R166 I167E64-Y66 HydrophobicContact CG-CE2 4.08Å; E64-Y66 PolarHBondContact OE1-OH 3.22Å; E64-R166 HydrophobicContact CB-CG 4.16Å; E64-R166 IonicContact OE1-CZ 3.43Å; E64-R166 IonicContact OE1-NE 3.59Å; E64-R166 IonicContact OE1-NH1 2.74Å; E64-R166 PolarHBondContact OE1-NH1 2.85Å; E64-R166 VanDerWaalsContact OE2-CD 3.29Å; E64-R166 WeakPolarHBondContact OE2-CD 3.42Å; E64-R166 IonicContact OE2-CZ 2.68Å; E64-R166 IonicContact OE2-NE 3.52Å; E64-R166 IonicContact OE2-NH1 2.76Å; E64-R166 PolarHBondContact OE2-NH1 2.98Å; E64-I167 CarbonylContact C-O 3.53Å; E64-I167 VanDerWaalsContact CA-O 3.25Å; E64-I167 WeakPolarHBondContact CA-O 3.41Å
65W98Very high94.2Very high28 Ų2851.2 Ų51.211%0.10626%0.261CS..EExtended strand (participates in β ladder)trans-128.4148.5-173.8-57.9-78.6000110.1P55 A58 G61 D62 F67 W130 R166 I167P55-W65 HydrophobicContact CB-CD2 4Å; P55-W65 HydrophobicContact CB-CE3 4.49Å; P55-W65 HydrophobicContact CB-CH2 4.23Å; P55-W65 HydrophobicContact CB-CZ2 3.7Å; P55-W65 HydrophobicContact CG-CD2 3.9Å; P55-W65 HydrophobicContact CG-CE3 3.89Å; P55-W65 HydrophobicContact CG-CH2 3.77Å; P55-W65 HydrophobicContact CG-CZ2 3.77Å; P55-W65 HydrophobicContact CG-CZ3 3.83Å; A58-W65 HydrophobicContact CB-CB 3.92Å; A58-W65 VanDerWaalsContact CB-CD1 3.43Å; A58-W65 HydrophobicContact CB-CG 3.97Å; G61-W65 PolarHBondContact O-NE1 2.98Å; D62-W65 WeakPolarHBondContact O-CZ2 3.49Å; W65-F67 HydrophobicContact CB-CE2 3.65Å; W65-F67 HydrophobicContact CB-CZ 3.8Å; W65-W130 HydrophobicContact CE3-CZ3 4.37Å; W65-W130 HydrophobicContact CZ3-CH2 4.16Å; W65-W130 AromaticContact CZ3-CZ3 3.75Å; W65-W130 HydrophobicContact CZ3-CZ3 3.75Å; W65-R166 CarbonylContact O-C 3.23Å; W65-R166 WeakPolarHBondContact O-CA 3.25Å; W65-I167 PolarHBondContact N-O 3.39Å; W65-I167 PolarHBondContact O-N 3.37Å
66Y98.4Very high93.5Very high6 Ų653.5 Ų53.52%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-125.4132.2-171-64.8-100000111.1F15 P17 L22 A42 E64 L164 C165 R166F15-Y66 AromaticContact CD1-CD2 3.76Å; F15-Y66 HydrophobicContact CD1-CD2 3.76Å; F15-Y66 HydrophobicContact CD1-CE1 4.42Å; F15-Y66 AromaticContact CD1-CE2 3.56Å; F15-Y66 HydrophobicContact CD1-CE2 3.56Å; F15-Y66 HydrophobicContact CD1-CG 4.28Å; F15-Y66 AromaticContact CD1-CZ 3.88Å; F15-Y66 AromaticContact CE1-CD1 3.86Å; F15-Y66 HydrophobicContact CE1-CD1 3.86Å; F15-Y66 AromaticContact CE1-CD2 3.75Å; F15-Y66 HydrophobicContact CE1-CD2 3.75Å; F15-Y66 AromaticContact CE1-CE1 3.85Å; F15-Y66 HydrophobicContact CE1-CE1 3.85Å; F15-Y66 AromaticContact CE1-CE2 3.77Å; F15-Y66 HydrophobicContact CE1-CE2 3.77Å; F15-Y66 AromaticContact CE1-CG 3.79Å; F15-Y66 HydrophobicContact CE1-CG 3.79Å; F15-Y66 AromaticContact CE1-CZ 3.78Å; P17-Y66 HydrophobicContact CG-CE1 4.16Å; L22-Y66 HydrophobicContact CD1-CE1 4.14Å; L22-Y66 HydrophobicContact CD2-CD1 4.04Å; L22-Y66 HydrophobicContact CD2-CE1 3.8Å; A42-Y66 PolarHBondContact N-O 2.85Å; E64-Y66 HydrophobicContact CG-CE2 4.08Å; E64-Y66 PolarHBondContact OE1-OH 3.22Å; Y66-L164 HydrophobicContact CD1-CD2 4.31Å; Y66-C165 WeakPolarHBondContact CA-O 3.31Å; Y66-R166 HydrophobicContact CD1-CB 4.12Å; Y66-R166 HydrophobicContact CD1-CG 4.24Å; Y66-R166 HydrophobicContact CE1-CB 4Å; Y66-R166 HydrophobicContact CE1-CG 3.83Å; Y66-R166 HydrophobicContact CE2-CG 4.43Å; Y66-R166 PolarHBondContact OH-NE 2.86Å; Y66-R166 PolarHBondContact OH-NH2 2.91Å
67F98.4Very high92.8Very high0 Ų056.6 Ų56.60%029%0.285CS..EExtended strand (participates in β ladder)trans-135.6144.7-178.3-53.1-80.4000111.8A42 V44 I46 L54 R57 A58 W65 L164 C165 I167A42-F67 HydrophobicContact CB-CD1 4.37Å; A42-F67 CarbonylContact O-C 3.59Å; A42-F67 VanDerWaalsContact O-CA 3.27Å; A42-F67 WeakPolarHBondContact O-CA 3.38Å; V44-F67 HydrophobicContact CB-CB 4.42Å; V44-F67 HydrophobicContact CB-CD1 3.72Å; V44-F67 HydrophobicContact CB-CE1 4.44Å; V44-F67 HydrophobicContact CB-CG 4.34Å; V44-F67 HydrophobicContact CG1-CD1 4.44Å; V44-F67 HydrophobicContact CG2-CD1 3.55Å; V44-F67 HydrophobicContact CG2-CE1 4.01Å; I46-F67 HydrophobicContact CG2-CB 3.77Å; I46-F67 HydrophobicContact CG2-CD2 4.07Å; I46-F67 HydrophobicContact CG2-CG 3.91Å; L54-F67 HydrophobicContact CB-CE2 4.03Å; L54-F67 HydrophobicContact CB-CZ 3.93Å; L54-F67 VanDerWaalsContact O-CZ 3.28Å; L54-F67 WeakPolarHBondContact O-CZ 3.46Å; R57-F67 HydrophobicContact CB-CE1 4.33Å; A58-F67 HydrophobicContact CB-CE1 4.01Å; A58-F67 HydrophobicContact CB-CZ 3.89Å; W65-F67 HydrophobicContact CB-CE2 3.65Å; W65-F67 HydrophobicContact CB-CZ 3.8Å; F67-L164 CarbonylContact O-C 3.54Å; F67-L164 WeakPolarHBondContact O-CA 3.32Å; F67-C165 PolarHBondContact N-O 2.82Å; F67-C165 PolarHBondContact O-N 2.93Å; F67-I167 HydrophobicContact CD2-CG1 3.73Å; F67-I167 HydrophobicContact CE2-CB 4.23Å; F67-I167 HydrophobicContact CE2-CG1 3.68Å
68F98.1Very high92.2Very high4 Ų452.1 Ų52.12%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-91.1123.6156.7-63.6-62.3000108.6L27 R30 I41 A42 V44 W162 V163 L164L27-F68 HydrophobicContact CD1-CD1 4.46Å; R30-F68 HydrophobicContact CB-CD1 3.98Å; R30-F68 HydrophobicContact CB-CD2 4.4Å; R30-F68 HydrophobicContact CB-CE1 3.61Å; R30-F68 HydrophobicContact CB-CE2 4.06Å; R30-F68 HydrophobicContact CB-CG 4.36Å; R30-F68 HydrophobicContact CB-CZ 3.65Å; R30-F68 HydrophobicContact CG-CB 4.31Å; R30-F68 HydrophobicContact CG-CD1 3.77Å; R30-F68 HydrophobicContact CG-CD2 3.85Å; R30-F68 HydrophobicContact CG-CE1 3.92Å; R30-F68 HydrophobicContact CG-CE2 4Å; R30-F68 HydrophobicContact CG-CG 3.73Å; R30-F68 HydrophobicContact CG-CZ 4.03Å; I41-F68 HydrophobicContact CB-CD2 4.06Å; I41-F68 HydrophobicContact CB-CE2 3.68Å; I41-F68 HydrophobicContact CB-CZ 4.16Å; I41-F68 HydrophobicContact CD1-CZ 4.2Å; I41-F68 HydrophobicContact CG2-CD1 4.25Å; I41-F68 HydrophobicContact CG2-CD2 3.51Å; I41-F68 HydrophobicContact CG2-CE1 4.3Å; I41-F68 HydrophobicContact CG2-CE2 3.57Å; I41-F68 HydrophobicContact CG2-CG 3.87Å; I41-F68 HydrophobicContact CG2-CZ 3.98Å; A42-F68 PolarHBondContact O-N 3.18Å; V44-F68 PolarHBondContact N-O 3.27Å; F68-W162 HydrophobicContact CB-CD2 4.47Å; F68-W162 HydrophobicContact CB-CE3 3.7Å; F68-W162 HydrophobicContact CB-CZ3 4.03Å; F68-V163 WeakPolarHBondContact CA-O 3.47Å; F68-L164 HydrophobicContact CD1-CB 4.21Å; F68-L164 HydrophobicContact CD1-CG 4.49Å; F68-L164 HydrophobicContact CE1-CB 4.26Å; F68-L164 HydrophobicContact CE1-CD1 3.88Å; F68-L164 HydrophobicContact CE1-CG 4.31Å
69S97.2Very high91.7Very high0 Ų055.7 Ų55.70%029%0.289CS..EExtended strand (participates in β ladder)trans-122.2142.3179.2-176.10000110.5V44 V163V44-S69 WeakPolarHBondContact O-CA 3.18Å; V44-S69 VanDerWaalsContact O-CB 3.31Å; V44-S69 WeakPolarHBondContact O-CB 3.31Å; V44-S69 PolarHBondContact O-OG 3.3Å; S69-V163 PolarHBondContact N-O 3.01Å; S69-V163 WeakPolarHBondContact O-CG2 3.29Å; S69-V163 PolarHBondContact O-N 2.76Å
70P94.6Very high91.6Very high14 Ų1459.8 Ų59.89%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-62159.115930.7-36.2000110.2D45D45-P70 HydrophobicContact CB-CG 4.06Å
71R92.2Very high91.6Very high12 Ų1258 Ų585%0.04529%0.286CS..EExtended strand (participates in β ladder)trans-132.3100.4179.2-173.4157.8176.3-93.210.9110.9P81 E134 R136 L159 D160 V163R71-P81 HydrophobicContact CG-CB 4.19Å; R71-E134 IonicContact CZ-OE1 3.81Å; R71-E134 IonicContact NE-OE1 2.81Å; R71-E134 PolarHBondContact NE-OE1 2.93Å; R71-E134 VanDerWaalsContact NE-OE1 3.11Å; R71-E134 IonicContact NE-OE2 3.16Å; R71-E134 PolarHBondContact NE-OE2 3.27Å; R71-E134 IonicContact NH2-OE1 3.82Å; R71-E134 PolarHBondContact NH2-OE1 2.94Å; R71-R136 VanDerWaalsContact CZ-CD 3.41Å; R71-L159 HydrophobicContact CG-CB 4.5Å; R71-L159 HydrophobicContact CG-CD1 4.25Å; R71-L159 WeakPolarHBondContact O-CB 3.49Å; R71-L159 PolarHBondContact O-N 3.5Å; R71-D160 VanDerWaalsContact CD-OD2 3.25Å; R71-D160 WeakPolarHBondContact CD-OD2 3.47Å; R71-D160 IonicContact CZ-OD2 3.48Å; R71-D160 IonicContact NE-OD2 3.56Å; R71-D160 IonicContact NH1-OD1 2.62Å; R71-D160 IonicContact NH1-OD2 3.4Å; R71-D160 PolarHBondContact NH1-OD2 2.72Å; R71-V163 HydrophobicContact CB-CG1 4.1Å; R71-V163 HydrophobicContact CB-CG2 4.23Å; R71-V163 HydrophobicContact CG-CG1 4.43Å
72D88.6Confident91.7Very high52 Ų5260.2 Ų60.228%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-87.7150.2-179.1-70.4-26.9000112.8P81 N82 M157 R158D72-P81 CarbonylContact O-C 3.52Å; D72-P81 VanDerWaalsContact O-CA 3.29Å; D72-P81 WeakPolarHBondContact O-CA 3.25Å; D72-N82 PolarHBondContact O-N 3.06Å; D72-M157 CarbonylContact C-O 3.55Å; D72-R158 WeakPolarHBondContact OD1-CG 3.38Å
73R88.7Confident92Very high30 Ų3057.2 Ų57.211%0.11328%0.275CS..BIsolated β-bridgetrans-74.6146171.874-168.268173.60.4111Y75 P76 G78 S156 M157 R158 L159R73-Y75 VanDerWaalsContact CD-O 3.24Å; R73-Y75 WeakPolarHBondContact CD-O 3.09Å; R73-Y75 VanDerWaalsContact CG-O 3.23Å; R73-Y75 WeakPolarHBondContact CG-O 3.39Å; R73-P76 WeakPolarHBondContact CD-O 3.31Å; R73-P76 PolarHBondContact NH1-O 2.97Å; R73-G78 WeakPolarHBondContact CB-O 3.19Å; R73-S156 PolarHBondContact NH2-O 3.22Å; R73-M157 WeakPolarHBondContact CB-O 3.49Å; R73-M157 HydrophobicContact CG-CB 4.18Å; R73-M157 HydrophobicContact CG-CE 3.54Å; R73-M157 WeakPolarHBondContact CG-O 3.08Å; R73-M157 HydrophobicContact CG-SD 3.65Å; R73-M157 PolarHBondContact N-O 2.77Å; R73-M157 PolarHBondContact NE-O 3.44Å; R73-M157 VanDerWaalsContact NE-O 3.13Å; R73-M157 VanDerWaalsContact O-CE 3.31Å; R73-M157 WeakPolarHBondContact O-CE 3.38Å; R73-R158 PolarHBondContact NH2-O 3.42Å; R73-L159 HydrophobicContact CB-CD1 4.37Å; R73-L159 HydrophobicContact CB-CD2 3.77Å; R73-L159 HydrophobicContact CB-CG 3.86Å
74K90.6Very high92.1Very high84 Ų8451.5 Ų51.537%0.36526%0.26SS..SBendtrans-74.6-30.7175.3-168.5-177.5178.5-160.20112.4R80 N82K74-R80 HydrophobicContact CB-CG 4.47Å; K74-R80 WeakPolarHBondContact CB-O 3.44Å; K74-R80 PolarHBondContact N-O 2.85Å; K74-N82 HydrophobicContact CB-CB 4.48Å
75Y89.3Confident92.2Very high118 Ų11849.8 Ų49.846%0.46325%0.253SS..SBendtrans-137.2142.3-175.6-53.5-62.6000109.4R73 N77 G78R73-Y75 VanDerWaalsContact CD-O 3.24Å; R73-Y75 WeakPolarHBondContact CD-O 3.09Å; R73-Y75 VanDerWaalsContact CG-O 3.23Å; R73-Y75 WeakPolarHBondContact CG-O 3.39Å; Y75-N77 VanDerWaalsContact C-N 3.26Å; Y75-N77 PolarHBondContact O-N 3.32Å; Y75-G78 PolarHBondContact O-N 3.06Å
76P84.1Confident92.1Very high83 Ų8350.8 Ų50.854%0.53927%0.272SS..THydrogen-bonded Turntrans-50.3-39-172.4-31.936.6000115.5R73 M157R73-P76 WeakPolarHBondContact CD-O 3.31Å; R73-P76 PolarHBondContact NH1-O 2.97Å; P76-M157 HydrophobicContact CB-SD 4.47Å; P76-M157 HydrophobicContact CG-SD 4.33Å
77N82.8Confident92Very high168 Ų16853.1 Ų53.190%0.89829%0.289SS*.THydrogen-bonded Turntrans-105.313.6-178.7-60.1-18.1000113.5Y75Y75-N77 VanDerWaalsContact C-N 3.26Å; Y75-N77 PolarHBondContact O-N 3.32Å
78G84.6Confident92Very high21 Ų2153.6 Ų53.622%0.21629%0.294CS..  trans-110.5140.6-173.500000113.7R73 Y75 R80R73-G78 WeakPolarHBondContact CB-O 3.19Å; Y75-G78 PolarHBondContact O-N 3.06Å; G78-R80 PolarHBondContact O-N 3.34Å
79I85.4Confident92Very high98 Ų9854.8 Ų54.850%0.50330%0.298SS..  trans-75.2-8.4172.559.1166.6000114.2P81 A144 L159I79-P81 WeakPolarHBondContact O-CD 3.4Å; I79-A144 WeakPolarHBondContact CD1-O 3.43Å; I79-L159 WeakPolarHBondContact O-CD1 3.32Å
80R89.7Confident92.1Very high151 Ų15155 Ų5557%0.5730%0.299SS*.PPolyproline II helixtrans-73.9122.3-175.3178.8177.7177.8173.33.8109.4K74 G78K74-R80 HydrophobicContact CB-CG 4.47Å; K74-R80 WeakPolarHBondContact CB-O 3.44Å; K74-R80 PolarHBondContact N-O 2.85Å; G78-R80 PolarHBondContact O-N 3.34Å
81P90.9Very high92.2Very high17 Ų1759.6 Ų59.611%0.1132%0.318CS..BIsolated β-bridgetrans-66.2147.1177.327-35.4000112R71 D72 I79 R83 L159R71-P81 HydrophobicContact CG-CB 4.19Å; D72-P81 CarbonylContact O-C 3.52Å; D72-P81 VanDerWaalsContact O-CA 3.29Å; D72-P81 WeakPolarHBondContact O-CA 3.25Å; I79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-R83 HydrophobicContact CB-CG 4.33Å; P81-R83 HydrophobicContact CG-CG 4.28Å; P81-L159 HydrophobicContact CB-CD1 3.79Å
82N93.7Very high92.5Very high66 Ų6661.2 Ų61.235%0.35333%0.334SS..PPolyproline II helixtrans-70.5134.7162.8-169.59.6000108.8D72 K74 A84D72-N82 PolarHBondContact O-N 3.06Å; K74-N82 HydrophobicContact CB-CB 4.48Å; N82-A84 PolarHBondContact OD1-N 2.76Å
83R95.6Very high92.9Very high35 Ų3562 Ų6213%0.13234%0.341CS..  trans-142.813.5-173.3-71.9-172.7170.6168.6-1.8113Y47 P81 Y89 W90 L115 E134Y47-R83 HydrophobicContact CE1-CB 4.35Å; Y47-R83 HydrophobicContact CE1-CG 3.94Å; P81-R83 HydrophobicContact CB-CG 4.33Å; P81-R83 HydrophobicContact CG-CG 4.28Å; R83-Y89 CarbonylContact O-C 3.6Å; R83-Y89 VanDerWaalsContact O-CA 3.29Å; R83-Y89 WeakPolarHBondContact O-CA 3.41Å; R83-W90 HydrophobicContact CB-CB 4.2Å; R83-W90 WeakPolarHBondContact CB-O 3.45Å; R83-W90 PolarHBondContact O-N 3.01Å; R83-L115 VanDerWaalsContact CZ-CD2 3.41Å; R83-E134 IonicContact CZ-OE2 2.72Å; R83-E134 IonicContact NE-OE2 2.67Å; R83-E134 IonicContact NH2-OE1 3.58Å; R83-E134 PolarHBondContact NH2-OE1 2.81Å; R83-E134 IonicContact NH2-OE2 3.42Å; R83-E134 PolarHBondContact NH2-OE2 3.05Å
84A97.2Very high93.2Very high56 Ų5663.3 Ų63.346%0.46336%0.364SS..EExtended strand (participates in β ladder)trans-66.2139.3160.300000108.2N82N82-A84 PolarHBondContact OD1-N 2.76Å
85A97.4Very high93.5Very high3 Ų365.4 Ų65.43%0.02538%0.383CS..EExtended strand (participates in β ladder)trans-155.5128.6-179.700000110.3Y47 S87 G88 F117Y47-A85 HydrophobicContact CD1-CB 4.43Å; Y47-A85 WeakPolarHBondContact O-CA 3.23Å; A85-S87 PolarHBondContact O-N 3.4Å; A85-G88 PolarHBondContact N-O 3.16Å; A85-G88 CarbonylContact O-C 3.47Å; A85-G88 VanDerWaalsContact O-C 3.23Å; A85-G88 WeakPolarHBondContact O-CA 3.41Å; A85-G88 PolarHBondContact O-N 3.39Å; A85-G88 VanDerWaalsContact O-O 3.07Å; A85-F117 HydrophobicContact CB-CE2 4.21Å; A85-F117 WeakPolarHBondContact O-CE2 3.46Å
86G96.1Very high93.8Very high49 Ų4962.1 Ų62.151%0.50537%0.374SS..THydrogen-bonded Turntrans51.4-129.4-178.100000113.1D50 G88D50-G86 WeakPolarHBondContact OD2-CA 3.44Å; G86-G88 PolarHBondContact O-N 3.33Å
87S97.5Very high94.4Very high54 Ų5464.9 Ų64.938%0.37838%0.378SS..THydrogen-bonded Turntrans-71-5.6174.772.30000115.2D50 A85 G120D50-S87 VanDerWaalsContact CG-N 3.29Å; D50-S87 WeakPolarHBondContact OD1-CB 3.39Å; D50-S87 PolarHBondContact OD1-N 3.4Å; D50-S87 PolarHBondContact OD1-OG 2.94Å; D50-S87 PolarHBondContact OD2-N 3.13Å; A85-S87 PolarHBondContact O-N 3.4Å; S87-G120 VanDerWaalsContact O-CA 3.3Å; S87-G120 WeakPolarHBondContact O-CA 3.35Å; S87-G120 PolarHBondContact O-N 3.23Å
88G98.2Very high95.1Very high10 Ų1060.5 Ų60.510%0.10336%0.358CS..EExtended strand (participates in β ladder)trans-150.2-147.6-16500000115.7A85 G86 Y118A85-G88 PolarHBondContact N-O 3.16Å; A85-G88 CarbonylContact O-C 3.47Å; A85-G88 VanDerWaalsContact O-C 3.23Å; A85-G88 WeakPolarHBondContact O-CA 3.41Å; A85-G88 PolarHBondContact O-N 3.39Å; A85-G88 VanDerWaalsContact O-O 3.07Å; G86-G88 PolarHBondContact O-N 3.33Å; G88-Y118 CarbonylContact C-O 3.54Å; G88-Y118 WeakPolarHBondContact CA-O 3.38Å
89Y98.3Very high95.7Very high29 Ų2960 Ų6011%0.11435%0.35CS..EExtended strand (participates in β ladder)trans-156.1148.3-177.662.2-81.1000114.2R83 K91 Y118 G120 P122R83-Y89 CarbonylContact O-C 3.6Å; R83-Y89 VanDerWaalsContact O-CA 3.29Å; R83-Y89 WeakPolarHBondContact O-CA 3.41Å; Y89-K91 HydrophobicContact CD2-CB 4.47Å; Y89-K91 HydrophobicContact CE2-CB 4.33Å; Y89-Y118 HydrophobicContact CE2-CD2 4.31Å; Y89-Y118 AromaticContact CE2-CG 3.98Å; Y89-Y118 HydrophobicContact CE2-CG 3.98Å; Y89-Y118 VanDerWaalsContact CZ-CB 3.44Å; Y89-Y118 AromaticContact CZ-CG 3.91Å; Y89-Y118 PolarHBondContact N-O 3.35Å; Y89-Y118 PolarHBondContact O-N 3.02Å; Y89-G120 VanDerWaalsContact CD1-O 3.3Å; Y89-G120 WeakPolarHBondContact CD1-O 3.49Å; Y89-G120 WeakPolarHBondContact CE1-O 3.26Å; Y89-P122 HydrophobicContact CD1-CB 4.39Å; Y89-P122 HydrophobicContact CD1-CG 3.5Å; Y89-P122 HydrophobicContact CD2-CG 4.27Å; Y89-P122 HydrophobicContact CE1-CB 4.05Å; Y89-P122 HydrophobicContact CE1-CG 3.64Å; Y89-P122 HydrophobicContact CE2-CG 4.41Å; Y89-P122 HydrophobicContact CG-CG 3.82Å
90W98.3Very high96.2Very high6 Ų660.1 Ų60.12%0.02335%0.349CS..EExtended strand (participates in β ladder)trans-88.2115.3173.3-66.598000111.8Y47 P51 R83 L115 F117 W130 M132 I167Y47-W90 AromaticContact CE1-CD1 3.99Å; P51-W90 HydrophobicContact CB-CH2 3.95Å; P51-W90 HydrophobicContact CB-CZ2 3.79Å; R83-W90 HydrophobicContact CB-CB 4.2Å; R83-W90 WeakPolarHBondContact CB-O 3.45Å; R83-W90 PolarHBondContact O-N 3.01Å; W90-L115 HydrophobicContact CB-CB 4.34Å; W90-L115 HydrophobicContact CB-CD2 3.69Å; W90-L115 HydrophobicContact CE3-CB 3.96Å; W90-L115 HydrophobicContact CG-CD2 4.47Å; W90-F117 HydrophobicContact CD2-CB 4.09Å; W90-F117 AromaticContact CD2-CD2 3.9Å; W90-F117 HydrophobicContact CD2-CD2 3.9Å; W90-F117 AromaticContact CE2-CD2 3.69Å; W90-F117 HydrophobicContact CE3-CB 3.79Å; W90-F117 HydrophobicContact CE3-CD2 4.47Å; W90-F117 HydrophobicContact CG-CD2 4.18Å; W90-F117 HydrophobicContact CH2-CB 3.92Å; W90-F117 HydrophobicContact CZ2-CB 4.2Å; W90-F117 HydrophobicContact CZ2-CD2 4.15Å; W90-F117 HydrophobicContact CZ3-CB 3.69Å; W90-F117 AromaticContact NE1-CD2 3.79Å; W90-W130 HydrophobicContact CH2-CB 4.34Å; W90-M132 HydrophobicContact CD2-CE 3.56Å; W90-M132 HydrophobicContact CE3-CB 3.87Å; W90-M132 HydrophobicContact CE3-CE 4.04Å; W90-M132 HydrophobicContact CG-CE 3.98Å; W90-M132 HydrophobicContact CH2-CB 3.87Å; W90-M132 HydrophobicContact CH2-CE 4.06Å; W90-M132 HydrophobicContact CZ2-CE 3.58Å; W90-M132 HydrophobicContact CZ3-CB 3.52Å; W90-M132 HydrophobicContact CZ3-CE 4.27Å; W90-I167 HydrophobicContact CH2-CD1 4.28Å; W90-I167 HydrophobicContact CZ2-CD1 4.36Å
91K97.4Very high96.5Very high109 Ų10953.7 Ų53.747%0.47433%0.327SS..EExtended strand (participates in β ladder)trans-95.8129.7175.6-166.6179.8-177.6-179.30110.1Y89 L115 V116 Y118Y89-K91 HydrophobicContact CD2-CB 4.47Å; Y89-K91 HydrophobicContact CE2-CB 4.33Å; K91-L115 CarbonylContact O-C 3.56Å; K91-L115 WeakPolarHBondContact O-CA 3.48Å; K91-V116 PolarHBondContact N-O 3.21Å; K91-V116 PolarHBondContact O-N 2.83Å; K91-Y118 HydrophobicContact CB-CD2 3.64Å; K91-Y118 HydrophobicContact CB-CE2 3.61Å; K91-Y118 HydrophobicContact CD-CD2 4.22Å; K91-Y118 HydrophobicContact CD-CE2 3.6Å; K91-Y118 HydrophobicContact CG-CE2 4.22Å
92A97.3Very high96.5Very high47 Ų4757.5 Ų57.539%0.38835%0.354SS..EExtended strand (participates in β ladder)trans-57.2138.7170.600000111.1
93T97.2Very high96.4Very high68 Ų6860.3 Ų60.342%0.41737%0.374SS..EExtended strand (participates in β ladder)trans-131.7142.8170.9-170.60000110.4A114 V116T93-A114 HydrophobicContact CG2-CB 3.63Å; T93-A114 PolarHBondContact N-O 3.39Å; T93-V116 HydrophobicContact CG2-CG2 3.78Å
94G95.9Very high96.1Very high58 Ų5861.9 Ų61.960%0.59839%0.387SS*.EExtended strand (participates in β ladder)trans61.8179.2-177.600000115.6K113G94-K113 PolarHBondContact O-NZ 2.89Å
95T96.3Very high95.6Very high127 Ų12764.2 Ų64.278%0.77941%0.406SS*.EExtended strand (participates in β ladder)trans-77.2145.2174.5-46.20000110.5K97T95-K97 PolarHBondContact O-N 3.39Å
96D96.7Very high94.9Very high49 Ų4967.3 Ų67.326%0.26244%0.439SS..EExtended strand (participates in β ladder)trans-58.9131.7169-72.858.5000109.6V111 K113 R136D96-V111 HydrophobicContact CB-CG1 3.65Å; D96-K113 WeakPolarHBondContact OD1-CD 2.8Å; D96-K113 WeakPolarHBondContact OD1-CE 3.34Å; D96-K113 IonicContact OD1-NZ 3.76Å; D96-K113 PolarHBondContact OD1-NZ 2.98Å; D96-K113 WeakPolarHBondContact OD2-CD 3.33Å; D96-R136 IonicContact OD2-CZ 3.82Å; D96-R136 IonicContact OD2-NH1 2.73Å; D96-R136 PolarHBondContact OD2-NH1 2.83Å; D96-R136 IonicContact OD2-NH2 2.68Å; D96-R136 PolarHBondContact OD2-NH2 3.43Å
97K97Very high94.7Very high142 Ų14269 Ų6962%0.61743%0.433SS*.EExtended strand (participates in β ladder)trans-98.6121.5178-66.7-171.3174.9-169.10109.9T95 V111 K112T95-K97 PolarHBondContact O-N 3.39Å; K97-V111 WeakPolarHBondContact O-CA 3.46Å; K97-K112 HydrophobicContact CB-CB 4.38Å; K97-K112 PolarHBondContact N-O 3.35Å; K97-K112 PolarHBondContact O-N 2.78Å
98P96.4Very high94.5Very high76 Ų7668.1 Ų68.149%0.49443%0.427SS..EExtended strand (participates in β ladder)trans-67.8143.7169.829.7-33.8000110.2
99I97.2Very high94.4Very high10 Ų1068 Ų685%0.05142%0.424CS..EExtended strand (participates in β ladder)trans-111.4122.1174.5-55.5166.7000105.8D19 E20 I23 S108 V109 G110 K112 Y135D19-I99 HydrophobicContact CB-CD1 4.1Å; D19-I99 HydrophobicContact CB-CG1 4.17Å; D19-I99 HydrophobicContact CB-CG2 4.22Å; E20-I99 HydrophobicContact CB-CG2 4.38Å; I23-I99 HydrophobicContact CD1-CD1 4.03Å; I23-I99 HydrophobicContact CG1-CD1 3.58Å; I23-I99 HydrophobicContact CG1-CG2 4.48Å; I99-S108 CarbonylContact O-C 3.56Å; I99-S108 WeakPolarHBondContact O-CA 3.48Å; I99-S108 PolarHBondContact O-OG 2.64Å; I99-V109 HydrophobicContact CB-CG2 4.26Å; I99-V109 HydrophobicContact CG2-CG2 3.82Å; I99-V109 WeakPolarHBondContact O-CG2 3.31Å; I99-V109 PolarHBondContact O-N 3.1Å; I99-G110 PolarHBondContact N-O 2.85Å; I99-G110 PolarHBondContact O-N 2.87Å; I99-K112 HydrophobicContact CD1-CB 4.13Å; I99-K112 HydrophobicContact CG1-CB 4.41Å; I99-Y135 HydrophobicContact CD1-CD1 3.79Å; I99-Y135 HydrophobicContact CD1-CE1 4.26Å
100H96.4Very high94.4Very high101 Ų10166.6 Ų66.647%0.46842%0.419SS..EExtended strand (participates in β ladder)trans-102155.8179.7-5298.8000110.2E107H100-E107 CarbonylContact C-O 3.5Å; H100-E107 WeakPolarHBondContact CA-O 3.33Å
101S94.9Very high94.3Very high16 Ų1667.3 Ų67.311%0.11242%0.424CS..  trans-75.2144.1168.5-169.40000111.6E20 T103 E107E20-S101 WeakPolarHBondContact OE1-CA 3.34Å; E20-S101 WeakPolarHBondContact OE1-CB 3.49Å; E20-S101 PolarHBondContact OE1-OG 3.11Å; S101-T103 PolarHBondContact OG-N 3.15Å; S101-T103 VanDerWaalsContact OG-N 3.08Å; S101-E107 PolarHBondContact N-O 3.2Å
102S92Very high94.3Very high97 Ų9763.4 Ų63.468%0.67841%0.407SS*.SBendtrans-75.1-25165.351.80000112.7E20E20-S102 VanDerWaalsContact CD-N 3.3Å; E20-S102 VanDerWaalsContact CD-OG 3.28Å; E20-S102 PolarHBondContact OE1-N 3Å; E20-S102 PolarHBondContact OE1-OG 3.37Å; E20-S102 WeakPolarHBondContact OE2-CB 3.39Å; E20-S102 PolarHBondContact OE2-N 2.76Å; E20-S102 VanDerWaalsContact OE2-N 3.1Å; E20-S102 PolarHBondContact OE2-OG 2.79Å
103T91.3Very high94.3Very high125 Ų12562.3 Ų62.377%0.76739%0.394SS*.SBendtrans-85.8-46.6-178.2-55.90000111.9S101S101-T103 PolarHBondContact OG-N 3.15Å; S101-T103 VanDerWaalsContact OG-N 3.08Å
104T89.9Confident94.4Very high68 Ų6860.3 Ų60.342%0.41738%0.384SS..SBendtrans-101.3104.6177.8-41.80000110.8G106 E107T104-G106 PolarHBondContact O-N 2.68Å; T104-G106 VanDerWaalsContact O-N 3.15Å; T104-E107 WeakPolarHBondContact CB-OE2 3.39Å; T104-E107 HydrophobicContact CG2-CB 3.77Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.48Å; T104-E107 PolarHBondContact O-N 2.94Å; T104-E107 VanDerWaalsContact O-N 3.11Å; T104-E107 PolarHBondContact OG1-OE2 2.87Å
105A86.6Confident94.5Very high104 Ų10457.6 Ų57.686%0.8636%0.355SS*.THydrogen-bonded Turntrans-57.9119.6-179.600000111.9
106G82.8Confident94.6Very high69 Ų6952 Ų5271%0.71132%0.321SS*.THydrogen-bonded Turntrans85.8-6.8178.900000115.7T104 S108T104-G106 PolarHBondContact O-N 2.68Å; T104-G106 VanDerWaalsContact O-N 3.15Å; G106-S108 PolarHBondContact O-N 2.88Å
107E91.4Very high94.7Very high84 Ų8449.6 Ų49.639%0.39331%0.308SS..  trans-73.1118.4174.6-169.8-174.4164.400110.2H100 S101 T104 V109H100-E107 CarbonylContact C-O 3.5Å; H100-E107 WeakPolarHBondContact CA-O 3.33Å; S101-E107 PolarHBondContact N-O 3.2Å; T104-E107 WeakPolarHBondContact CB-OE2 3.39Å; T104-E107 HydrophobicContact CG2-CB 3.77Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.48Å; T104-E107 PolarHBondContact O-N 2.94Å; T104-E107 VanDerWaalsContact O-N 3.11Å; T104-E107 PolarHBondContact OG1-OE2 2.87Å; E107-V109 HydrophobicContact CG-CG1 4.43Å
108S94.2Very high94.8Very high36 Ų3644.8 Ų44.825%0.25229%0.287SS..EExtended strand (participates in β ladder)trans-82.8117.5168.4-1760000109.6I99 G106 A138I99-S108 CarbonylContact O-C 3.56Å; I99-S108 WeakPolarHBondContact O-CA 3.48Å; I99-S108 PolarHBondContact O-OG 2.64Å; G106-S108 PolarHBondContact O-N 2.88Å; S108-A138 WeakPolarHBondContact O-CB 3.43Å
109V96Very high94.9Very high6 Ų645.7 Ų45.74%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-93.9-24-177.4-62.20000112.3I23 L24 I99 E107 A138I23-V109 HydrophobicContact CB-CG2 4.32Å; I23-V109 HydrophobicContact CG2-CB 3.95Å; I23-V109 HydrophobicContact CG2-CG2 3.85Å; I23-V109 WeakPolarHBondContact CG2-O 3.27Å; L24-V109 HydrophobicContact CD2-CB 4.03Å; L24-V109 HydrophobicContact CD2-CG1 3.92Å; L24-V109 HydrophobicContact CD2-CG2 4.37Å; I99-V109 HydrophobicContact CB-CG2 4.26Å; I99-V109 HydrophobicContact CG2-CG2 3.82Å; I99-V109 WeakPolarHBondContact O-CG2 3.31Å; I99-V109 PolarHBondContact O-N 3.1Å; E107-V109 HydrophobicContact CG-CG1 4.43Å; V109-A138 WeakPolarHBondContact O-CB 3.36Å; V109-A138 PolarHBondContact O-N 3.22Å
110G96.7Very high94.9Very high0 Ų046.5 Ų46.50%030%0.295CS..EExtended strand (participates in β ladder)trans-167.8-179.1-177.500000114.5I99 R136I99-G110 PolarHBondContact N-O 2.85Å; I99-G110 PolarHBondContact O-N 2.87Å; G110-R136 CarbonylContact C-O 3.47Å; G110-R136 WeakPolarHBondContact CA-O 3.28Å
111V97Very high94.9Very high21 Ų2152.3 Ų52.313%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-136.5134.1177.6175.30000110.4D96 K97 Y135 R136 A141D96-V111 HydrophobicContact CB-CG1 3.65Å; K97-V111 WeakPolarHBondContact O-CA 3.46Å; V111-Y135 WeakPolarHBondContact O-CA 3.43Å; V111-R136 PolarHBondContact N-O 3.5Å; V111-R136 PolarHBondContact O-N 2.81Å; V111-A141 HydrophobicContact CB-CB 3.92Å; V111-A141 HydrophobicContact CG2-CB 3.55Å
112K98Very high94.9Very high28 Ų2855.8 Ų55.812%0.12234%0.335CS..EExtended strand (participates in β ladder)trans-104121.7175-179.7173.9-175.4163.40110.9D19 K97 I99 H133 Y135D19-K112 IonicContact OD1-NZ 3.3Å; D19-K112 PolarHBondContact OD1-NZ 3.38Å; D19-K112 WeakPolarHBondContact OD2-CD 3.1Å; D19-K112 IonicContact OD2-NZ 2.73Å; D19-K112 PolarHBondContact OD2-NZ 3.46Å; K97-K112 HydrophobicContact CB-CB 4.38Å; K97-K112 PolarHBondContact N-O 3.35Å; K97-K112 PolarHBondContact O-N 2.78Å; I99-K112 HydrophobicContact CD1-CB 4.13Å; I99-K112 HydrophobicContact CG1-CB 4.41Å; K112-H133 HydrophobicContact CG-CB 4.35Å; K112-Y135 HydrophobicContact CB-CD1 4.2Å; K112-Y135 HydrophobicContact CB-CE1 4.17Å; K112-Y135 HydrophobicContact CD-CD1 4.43Å; K112-Y135 HydrophobicContact CD-CE1 3.61Å; K112-Y135 WeakPolarHBondContact CE-OH 3.42Å; K112-Y135 HydrophobicContact CG-CD1 4.28Å; K112-Y135 HydrophobicContact CG-CE1 3.88Å; K112-Y135 PolarHBondContact NZ-OH 2.77Å
113K97.7Very high95.1Very high24 Ų2457 Ų5710%0.10434%0.34CS..EExtended strand (participates in β ladder)trans-106.7130.8172-175.175.4-169.6172.40110.1G94 D96 L115 H133 E134G94-K113 PolarHBondContact O-NZ 2.89Å; D96-K113 WeakPolarHBondContact OD1-CD 2.8Å; D96-K113 WeakPolarHBondContact OD1-CE 3.34Å; D96-K113 IonicContact OD1-NZ 3.76Å; D96-K113 PolarHBondContact OD1-NZ 2.98Å; D96-K113 WeakPolarHBondContact OD2-CD 3.33Å; K113-L115 HydrophobicContact CB-CD1 4.38Å; K113-L115 HydrophobicContact CG-CD1 4.06Å; K113-L115 HydrophobicContact CG-CG 4.47Å; K113-L115 WeakPolarHBondContact O-CD1 3.06Å; K113-H133 CarbonylContact O-C 3.56Å; K113-H133 WeakPolarHBondContact O-CA 3.4Å; K113-E134 HydrophobicContact CB-CB 4.27Å; K113-E134 PolarHBondContact N-O 3.19Å; K113-E134 PolarHBondContact O-N 3.29Å
114A98.5Very high95.3Very high26 Ų2660.2 Ų60.222%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-89.3141.9168.300000111.5T93 M132T93-A114 HydrophobicContact CG2-CB 3.63Å; T93-A114 PolarHBondContact N-O 3.39Å; A114-M132 CarbonylContact C-O 3.51Å; A114-M132 WeakPolarHBondContact CA-O 3.33Å
115L98.5Very high95.6Very high0 Ų057.6 Ų57.60%033%0.331CS..EExtended strand (participates in β ladder)trans-136.9151.3175.8-50.681.9000110.2R83 W90 K91 K113 I131 M132 E134R83-L115 VanDerWaalsContact CZ-CD2 3.41Å; W90-L115 HydrophobicContact CB-CB 4.34Å; W90-L115 HydrophobicContact CB-CD2 3.69Å; W90-L115 HydrophobicContact CE3-CB 3.96Å; W90-L115 HydrophobicContact CG-CD2 4.47Å; K91-L115 CarbonylContact O-C 3.56Å; K91-L115 WeakPolarHBondContact O-CA 3.48Å; K113-L115 HydrophobicContact CB-CD1 4.38Å; K113-L115 HydrophobicContact CG-CD1 4.06Å; K113-L115 HydrophobicContact CG-CG 4.47Å; K113-L115 WeakPolarHBondContact O-CD1 3.06Å; L115-I131 WeakPolarHBondContact O-CA 3.44Å; L115-M132 HydrophobicContact CB-CB 4.25Å; L115-M132 HydrophobicContact CD1-CB 4.29Å; L115-M132 HydrophobicContact CD1-CG 4.09Å; L115-M132 HydrophobicContact CD1-SD 3.94Å; L115-M132 HydrophobicContact CD2-SD 4.16Å; L115-M132 PolarHBondContact N-O 3.02Å; L115-M132 PolarHBondContact O-N 3.29Å; L115-E134 HydrophobicContact CD1-CB 3.62Å
116V98.5Very high96.2Very high9 Ų957.4 Ų57.46%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-121.1136.3172.2-173.70000108.5K91 T93 Y118 K127 T128 I131K91-V116 PolarHBondContact N-O 3.21Å; K91-V116 PolarHBondContact O-N 2.83Å; T93-V116 HydrophobicContact CG2-CG2 3.78Å; V116-Y118 HydrophobicContact CB-CE2 4.23Å; V116-Y118 HydrophobicContact CG1-CE2 4.33Å; V116-K127 HydrophobicContact CG1-CG 3.88Å; V116-T128 WeakPolarHBondContact CG1-O 3.42Å; V116-I131 HydrophobicContact CB-CD1 4.46Å; V116-I131 HydrophobicContact CG1-CD1 4.19Å; V116-I131 HydrophobicContact CG2-CD1 3.9Å
117F98.7Very high96.9Very high0 Ų060.6 Ų60.60%031%0.313CS..EExtended strand (participates in β ladder)trans-79.8135.3174.8-172.4-102.1000111.4D50 P51 W52 A85 W90 E119 T128 W130D50-F117 VanDerWaalsContact OD1-CZ 3.29Å; D50-F117 WeakPolarHBondContact OD1-CZ 3.4Å; P51-F117 HydrophobicContact CG-CB 4.04Å; P51-F117 HydrophobicContact CG-CD1 3.54Å; P51-F117 HydrophobicContact CG-CD2 4.19Å; P51-F117 HydrophobicContact CG-CE1 3.94Å; P51-F117 HydrophobicContact CG-CG 3.67Å; P51-F117 HydrophobicContact CG-CZ 4.41Å; W52-F117 HydrophobicContact CH2-CE1 4.19Å; W52-F117 HydrophobicContact CZ3-CD1 4.45Å; W52-F117 AromaticContact CZ3-CE1 3.98Å; W52-F117 HydrophobicContact CZ3-CE1 3.98Å; A85-F117 HydrophobicContact CB-CE2 4.21Å; A85-F117 WeakPolarHBondContact O-CE2 3.46Å; W90-F117 HydrophobicContact CD2-CB 4.09Å; W90-F117 AromaticContact CD2-CD2 3.9Å; W90-F117 HydrophobicContact CD2-CD2 3.9Å; W90-F117 AromaticContact CE2-CD2 3.69Å; W90-F117 HydrophobicContact CE3-CB 3.79Å; W90-F117 HydrophobicContact CE3-CD2 4.47Å; W90-F117 HydrophobicContact CG-CD2 4.18Å; W90-F117 HydrophobicContact CH2-CB 3.92Å; W90-F117 HydrophobicContact CZ2-CB 4.2Å; W90-F117 HydrophobicContact CZ2-CD2 4.15Å; W90-F117 HydrophobicContact CZ3-CB 3.69Å; W90-F117 AromaticContact NE1-CD2 3.79Å; F117-E119 HydrophobicContact CE1-CB 4.32Å; F117-T128 HydrophobicContact CD1-CG2 3.87Å; F117-T128 WeakPolarHBondContact O-CB 3.36Å; F117-T128 PolarHBondContact O-N 3.41Å; F117-T128 PolarHBondContact O-OG1 2.81Å; F117-W130 HydrophobicContact CB-CB 3.99Å; F117-W130 PolarHBondContact N-O 3.15Å
118Y98.6Very high97.2Very high41 Ų4157.5 Ų57.516%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-115.9123.9172.8-78.4-108.2000108.4G88 Y89 K91 V116 G125 T126 K127G88-Y118 CarbonylContact C-O 3.54Å; G88-Y118 WeakPolarHBondContact CA-O 3.38Å; Y89-Y118 HydrophobicContact CE2-CD2 4.31Å; Y89-Y118 AromaticContact CE2-CG 3.98Å; Y89-Y118 HydrophobicContact CE2-CG 3.98Å; Y89-Y118 VanDerWaalsContact CZ-CB 3.44Å; Y89-Y118 AromaticContact CZ-CG 3.91Å; Y89-Y118 PolarHBondContact N-O 3.35Å; Y89-Y118 PolarHBondContact O-N 3.02Å; K91-Y118 HydrophobicContact CB-CD2 3.64Å; K91-Y118 HydrophobicContact CB-CE2 3.61Å; K91-Y118 HydrophobicContact CD-CD2 4.22Å; K91-Y118 HydrophobicContact CD-CE2 3.6Å; K91-Y118 HydrophobicContact CG-CE2 4.22Å; V116-Y118 HydrophobicContact CB-CE2 4.23Å; V116-Y118 HydrophobicContact CG1-CE2 4.33Å; Y118-G125 WeakPolarHBondContact CD1-O 3.37Å; Y118-T126 CarbonylContact C-O 3.53Å; Y118-T126 VanDerWaalsContact CA-O 3.26Å; Y118-T126 WeakPolarHBondContact CA-O 3.46Å; Y118-K127 HydrophobicContact CD1-CB 4.05Å; Y118-K127 HydrophobicContact CE1-CB 3.56Å; Y118-K127 HydrophobicContact CE1-CG 4.13Å; Y118-K127 HydrophobicContact CE2-CB 4.41Å; Y118-K127 HydrophobicContact CE2-CG 4.12Å
119E98.4Very high97.4Very high95 Ų9559 Ų5944%0.44431%0.305SS..EExtended strand (participates in β ladder)trans-79.9139.7177.7-175.8178.7178.600110.3W52 F117 G125 T126 T128W52-E119 HydrophobicContact CH2-CG 4.31Å; F117-E119 HydrophobicContact CE1-CB 4.32Å; E119-G125 CarbonylContact O-C 3.39Å; E119-G125 WeakPolarHBondContact O-CA 3.42Å; E119-T126 PolarHBondContact N-O 2.88Å; E119-T126 PolarHBondContact O-N 2.68Å; E119-T128 HydrophobicContact CB-CG2 3.92Å
120G97.7Very high97.5Very high27 Ų2759.6 Ų59.628%0.27831%0.307SS..SBendtrans84.9-176.9-177.300000114.6S87 Y89S87-G120 VanDerWaalsContact O-CA 3.3Å; S87-G120 WeakPolarHBondContact O-CA 3.35Å; S87-G120 PolarHBondContact O-N 3.23Å; Y89-G120 VanDerWaalsContact CD1-O 3.3Å; Y89-G120 WeakPolarHBondContact CD1-O 3.49Å; Y89-G120 WeakPolarHBondContact CE1-O 3.26Å
121R96.3Very high97.6Very high223 Ų22360.7 Ų60.784%0.84231%0.312SS*.SBendtrans-83137.5-168.2-63.2-172.8-179.3-151.60.2113.1K124 G125R121-K124 CarbonylContact O-C 3.57Å; R121-K124 PolarHBondContact O-N 3.06Å; R121-G125 PolarHBondContact O-N 3.08Å
122P95.3Very high97.7Very high89 Ų8959.7 Ų59.758%0.57831%0.306SS*.THydrogen-bonded Turntrans-58.1145.4170.5-17.726.3000112.2Y89Y89-P122 HydrophobicContact CD1-CB 4.39Å; Y89-P122 HydrophobicContact CD1-CG 3.5Å; Y89-P122 HydrophobicContact CD2-CG 4.27Å; Y89-P122 HydrophobicContact CE1-CB 4.05Å; Y89-P122 HydrophobicContact CE1-CG 3.64Å; Y89-P122 HydrophobicContact CE2-CG 4.41Å; Y89-P122 HydrophobicContact CG-CG 3.82Å
123P94.6Very high97.7Very high121 Ų12159.9 Ų59.979%0.78631%0.308SS*.THydrogen-bonded Turncis-86.4-0.2-5.536.2-36.2000113.8G125P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.45Å
124K96.3Very high97.7Very high193 Ų19358.8 Ų58.884%0.83930%0.303SS*.SBendtrans-85.615.1-169.4-59.2-173.1178.2-174.20114.5R121R121-K124 CarbonylContact O-C 3.57Å; R121-K124 PolarHBondContact O-N 3.06Å
125G96.7Very high97.7Very high14 Ų1457.5 Ų57.514%0.14429%0.292CS..PPolyproline II helixtrans-70.3149.2-176.500000113.2Y118 E119 R121 P123Y118-G125 WeakPolarHBondContact CD1-O 3.37Å; E119-G125 CarbonylContact O-C 3.39Å; E119-G125 WeakPolarHBondContact O-CA 3.42Å; R121-G125 PolarHBondContact O-N 3.08Å; P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.45Å
126T98.1Very high97.7Very high99 Ų9958 Ų5861%0.60729%0.294SS*.EExtended strand (participates in β ladder)trans-86.7127.5176.4-60.20000109.9Y118 E119 T128Y118-T126 CarbonylContact C-O 3.53Å; Y118-T126 VanDerWaalsContact CA-O 3.26Å; Y118-T126 WeakPolarHBondContact CA-O 3.46Å; E119-T126 PolarHBondContact N-O 2.88Å; E119-T126 PolarHBondContact O-N 2.68Å; T126-T128 PolarHBondContact O-N 2.92Å
127K98Very high97.5Very high137 Ų13758.9 Ų58.960%0.59630%0.299SS*.EExtended strand (participates in β ladder)trans-66.9121.1178.7-174.5-174.5175.6-173.70110.1V116 Y118V116-K127 HydrophobicContact CG1-CG 3.88Å; Y118-K127 HydrophobicContact CD1-CB 4.05Å; Y118-K127 HydrophobicContact CE1-CB 3.56Å; Y118-K127 HydrophobicContact CE1-CG 4.13Å; Y118-K127 HydrophobicContact CE2-CB 4.41Å; Y118-K127 HydrophobicContact CE2-CG 4.12Å
128T98.1Very high97.2Very high18 Ų1859.4 Ų59.411%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-93174.1174.876.90000111.8V116 F117 E119 T126 W130V116-T128 WeakPolarHBondContact CG1-O 3.42Å; F117-T128 HydrophobicContact CD1-CG2 3.87Å; F117-T128 WeakPolarHBondContact O-CB 3.36Å; F117-T128 PolarHBondContact O-N 3.41Å; F117-T128 PolarHBondContact O-OG1 2.81Å; E119-T128 HydrophobicContact CB-CG2 3.92Å; T126-T128 PolarHBondContact O-N 2.92Å; T128-W130 VanDerWaalsContact C-N 3.3Å; T128-W130 PolarHBondContact OG1-N 2.86Å
129N98.1Very high96.6Very high67 Ų6760.5 Ų60.536%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-85.84.6171.6-74-39.8000113.8K169 K170N129-K169 HydrophobicContact CB-CG 4.4Å; N129-K170 HydrophobicContact CB-CB 4.27Å; N129-K170 WeakPolarHBondContact CB-O 3.3Å; N129-K170 PolarHBondContact O-N 3.01Å
130W98.6Very high95.8Very high20 Ų2058 Ų588%0.07631%0.31CS..EExtended strand (participates in β ladder)trans-81.3126.6178.7-70.1102.8000111.5P51 W52 P55 W65 W90 F117 T128 I167 K169P51-W130 HydrophobicContact CB-CB 3.68Å; P51-W130 HydrophobicContact CB-CD2 3.65Å; P51-W130 HydrophobicContact CB-CE3 3.9Å; P51-W130 HydrophobicContact CB-CG 3.55Å; P51-W130 HydrophobicContact CG-CB 3.66Å; P51-W130 HydrophobicContact CG-CD2 3.96Å; P51-W130 HydrophobicContact CG-CG 3.44Å; P51-W130 VanDerWaalsContact CG-CG 3.44Å; P51-W130 WeakPolarHBondContact O-CH2 3.49Å; P51-W130 VanDerWaalsContact O-CZ3 3.31Å; P51-W130 WeakPolarHBondContact O-CZ3 3.44Å; W52-W130 VanDerWaalsContact CA-CZ2 3.43Å; W52-W130 HydrophobicContact CB-CH2 4.46Å; W52-W130 HydrophobicContact CB-CZ2 3.63Å; W52-W130 AromaticContact CE3-NE1 3.78Å; P55-W130 HydrophobicContact CG-CH2 4Å; P55-W130 HydrophobicContact CG-CZ3 4.41Å; W65-W130 HydrophobicContact CE3-CZ3 4.37Å; W65-W130 HydrophobicContact CZ3-CH2 4.16Å; W65-W130 AromaticContact CZ3-CZ3 3.75Å; W65-W130 HydrophobicContact CZ3-CZ3 3.75Å; W90-W130 HydrophobicContact CH2-CB 4.34Å; F117-W130 HydrophobicContact CB-CB 3.99Å; F117-W130 PolarHBondContact N-O 3.15Å; T128-W130 VanDerWaalsContact C-N 3.3Å; T128-W130 PolarHBondContact OG1-N 2.86Å; W130-I167 HydrophobicContact CE3-CG2 4.05Å; W130-I167 HydrophobicContact CZ3-CG2 4.19Å; W130-K169 HydrophobicContact CD2-CB 4.07Å; W130-K169 HydrophobicContact CD2-CG 4.14Å; W130-K169 HydrophobicContact CE3-CB 3.89Å; W130-K169 HydrophobicContact CE3-CG 4.47Å; W130-K169 HydrophobicContact CH2-CB 4.06Å; W130-K169 HydrophobicContact CH2-CD 4.33Å; W130-K169 HydrophobicContact CZ2-CB 4.21Å; W130-K169 HydrophobicContact CZ2-CD 3.78Å; W130-K169 HydrophobicContact CZ2-CG 4.24Å; W130-K169 HydrophobicContact CZ3-CB 3.91Å
131I98.5Very high94.8Very high22 Ų2257 Ų5711%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-120.4140.8-175.4-47.7-62.1000109.1L115 V116 I167 Y168 K170L115-I131 WeakPolarHBondContact O-CA 3.44Å; V116-I131 HydrophobicContact CB-CD1 4.46Å; V116-I131 HydrophobicContact CG1-CD1 4.19Å; V116-I131 HydrophobicContact CG2-CD1 3.9Å; I131-I167 WeakPolarHBondContact O-CA 3.31Å; I131-Y168 HydrophobicContact CB-CD1 4Å; I131-Y168 HydrophobicContact CB-CD2 4.48Å; I131-Y168 HydrophobicContact CB-CE1 3.55Å; I131-Y168 HydrophobicContact CB-CE2 4.08Å; I131-Y168 HydrophobicContact CB-CG 4.45Å; I131-Y168 HydrophobicContact CG1-CE1 4.34Å; I131-Y168 HydrophobicContact CG1-CE2 4Å; I131-Y168 HydrophobicContact CG2-CD1 4.36Å; I131-Y168 HydrophobicContact CG2-CE1 3.51Å; I131-Y168 PolarHBondContact N-O 2.76Å; I131-Y168 PolarHBondContact O-N 2.84Å; I131-K170 HydrophobicContact CG1-CB 4.34Å
132M98.6Very high94Very high0 Ų051.6 Ų51.60%028%0.283CS..EExtended strand (participates in β ladder)trans-121.9137.5170.3175.2-167.3-54.300109.7I46 W90 A114 L115 E134 C165 R166 I167I46-M132 HydrophobicContact CD1-CE 3.46Å; I46-M132 VanDerWaalsContact CD1-CE 3.46Å; I46-M132 HydrophobicContact CD1-SD 3.85Å; I46-M132 HydrophobicContact CG1-CE 4.07Å; W90-M132 HydrophobicContact CD2-CE 3.56Å; W90-M132 HydrophobicContact CE3-CB 3.87Å; W90-M132 HydrophobicContact CE3-CE 4.04Å; W90-M132 HydrophobicContact CG-CE 3.98Å; W90-M132 HydrophobicContact CH2-CB 3.87Å; W90-M132 HydrophobicContact CH2-CE 4.06Å; W90-M132 HydrophobicContact CZ2-CE 3.58Å; W90-M132 HydrophobicContact CZ3-CB 3.52Å; W90-M132 HydrophobicContact CZ3-CE 4.27Å; A114-M132 CarbonylContact C-O 3.51Å; A114-M132 WeakPolarHBondContact CA-O 3.33Å; L115-M132 HydrophobicContact CB-CB 4.25Å; L115-M132 HydrophobicContact CD1-CB 4.29Å; L115-M132 HydrophobicContact CD1-CG 4.09Å; L115-M132 HydrophobicContact CD1-SD 3.94Å; L115-M132 HydrophobicContact CD2-SD 4.16Å; L115-M132 PolarHBondContact N-O 3.02Å; L115-M132 PolarHBondContact O-N 3.29Å; M132-E134 HydrophobicContact SD-CB 4.3Å; M132-C165 HydrophobicContact CG-CB 4.21Å; M132-C165 HydrophobicContact SD-CB 4.32Å; M132-R166 CarbonylContact C-O 3.51Å; M132-R166 WeakPolarHBondContact CA-O 3.44Å; M132-I167 HydrophobicContact CB-CD1 3.7Å; M132-I167 HydrophobicContact CE-CD1 3.71Å; M132-I167 HydrophobicContact CG-CD1 3.63Å; M132-I167 HydrophobicContact SD-CD1 4.4Å
133H98.6Very high93.1Very high33 Ų3350.4 Ų50.415%0.15328%0.281CS..EExtended strand (participates in β ladder)trans-105109.3158.8-63.5144.5000108.6K112 K113 Y135 C165 R166 Y168K112-H133 HydrophobicContact CG-CB 4.35Å; K113-H133 CarbonylContact O-C 3.56Å; K113-H133 WeakPolarHBondContact O-CA 3.4Å; H133-Y135 HydrophobicContact CB-CD2 4.35Å; H133-Y135 HydrophobicContact CB-CE2 3.58Å; H133-Y135 VanDerWaalsContact O-CD2 3.31Å; H133-Y135 WeakPolarHBondContact O-CD2 3.17Å; H133-Y135 WeakPolarHBondContact O-CE2 3.37Å; H133-C165 WeakPolarHBondContact O-CA 3.2Å; H133-R166 HydrophobicContact CB-CB 4.37Å; H133-R166 PolarHBondContact N-O 2.77Å; H133-R166 PolarHBondContact O-N 3.43Å; H133-Y168 AromaticContact CE1-CE1 3.76Å
134E98.2Very high92.1Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-89116.4173.9173.3-164.9107.100108.3Y47 R71 R83 K113 L115 M132 R136 V163Y47-E134 PolarHBondContact OH-OE2 3.39Å; R71-E134 IonicContact CZ-OE1 3.81Å; R71-E134 IonicContact NE-OE1 2.81Å; R71-E134 PolarHBondContact NE-OE1 2.93Å; R71-E134 VanDerWaalsContact NE-OE1 3.11Å; R71-E134 IonicContact NE-OE2 3.16Å; R71-E134 PolarHBondContact NE-OE2 3.27Å; R71-E134 IonicContact NH2-OE1 3.82Å; R71-E134 PolarHBondContact NH2-OE1 2.94Å; R83-E134 IonicContact CZ-OE2 2.72Å; R83-E134 IonicContact NE-OE2 2.67Å; R83-E134 IonicContact NH2-OE1 3.58Å; R83-E134 PolarHBondContact NH2-OE1 2.81Å; R83-E134 IonicContact NH2-OE2 3.42Å; R83-E134 PolarHBondContact NH2-OE2 3.05Å; K113-E134 HydrophobicContact CB-CB 4.27Å; K113-E134 PolarHBondContact N-O 3.19Å; K113-E134 PolarHBondContact O-N 3.29Å; L115-E134 HydrophobicContact CD1-CB 3.62Å; M132-E134 HydrophobicContact SD-CB 4.3Å; E134-R136 HydrophobicContact CG-CG 4.31Å; E134-R136 IonicContact OE1-CZ 3.64Å; E134-R136 IonicContact OE1-NH1 3.5Å; E134-R136 PolarHBondContact OE1-NH1 2.68Å; E134-V163 HydrophobicContact CG-CB 4.37Å; E134-V163 HydrophobicContact CG-CG2 4.39Å
135Y98.2Very high90.8Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-102.6134.1178-61.9-98.2000109.6D19 L22 I23 L27 I99 V111 K112 H133 V163 L164 R166D19-Y135 HydrophobicContact CB-CE1 4.16Å; D19-Y135 WeakPolarHBondContact OD1-CE1 3.3Å; D19-Y135 PolarHBondContact OD1-OH 3.29Å; D19-Y135 VanDerWaalsContact OD1-OH 3.06Å; L22-Y135 HydrophobicContact CD1-CD1 4.44Å; L22-Y135 HydrophobicContact CD1-CD2 4.42Å; L22-Y135 HydrophobicContact CD1-CE1 3.87Å; L22-Y135 HydrophobicContact CD1-CE2 3.83Å; I23-Y135 HydrophobicContact CD1-CD1 4.48Å; L27-Y135 WeakPolarHBondContact CD2-O 3.44Å; I99-Y135 HydrophobicContact CD1-CD1 3.79Å; I99-Y135 HydrophobicContact CD1-CE1 4.26Å; V111-Y135 WeakPolarHBondContact O-CA 3.43Å; K112-Y135 HydrophobicContact CB-CD1 4.2Å; K112-Y135 HydrophobicContact CB-CE1 4.17Å; K112-Y135 HydrophobicContact CD-CD1 4.43Å; K112-Y135 HydrophobicContact CD-CE1 3.61Å; K112-Y135 WeakPolarHBondContact CE-OH 3.42Å; K112-Y135 HydrophobicContact CG-CD1 4.28Å; K112-Y135 HydrophobicContact CG-CE1 3.88Å; K112-Y135 PolarHBondContact NZ-OH 2.77Å; H133-Y135 HydrophobicContact CB-CD2 4.35Å; H133-Y135 HydrophobicContact CB-CE2 3.58Å; H133-Y135 VanDerWaalsContact O-CD2 3.31Å; H133-Y135 WeakPolarHBondContact O-CD2 3.17Å; H133-Y135 WeakPolarHBondContact O-CE2 3.37Å; Y135-V163 WeakPolarHBondContact O-CB 3.29Å; Y135-L164 WeakPolarHBondContact CB-O 3.41Å; Y135-L164 HydrophobicContact CD2-CD2 3.57Å; Y135-L164 WeakPolarHBondContact CD2-O 3.42Å; Y135-L164 HydrophobicContact CE2-CD2 4.09Å; Y135-L164 HydrophobicContact CG-CD2 4.18Å; Y135-L164 PolarHBondContact N-O 3.48Å; Y135-L164 PolarHBondContact O-N 2.89Å; Y135-R166 HydrophobicContact CE2-CB 4.1Å
136R96.7Very high89.3Confident9 Ų945.7 Ų45.73%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-130.7149.1-179.5-51.3-168.7-61.4-89.5-8110.2I23 R71 D96 G110 V111 E134 V163I23-R136 WeakPolarHBondContact CD1-O 3.34Å; R71-R136 VanDerWaalsContact CZ-CD 3.41Å; D96-R136 IonicContact OD2-CZ 3.82Å; D96-R136 IonicContact OD2-NH1 2.73Å; D96-R136 PolarHBondContact OD2-NH1 2.83Å; D96-R136 IonicContact OD2-NH2 2.68Å; D96-R136 PolarHBondContact OD2-NH2 3.43Å; G110-R136 CarbonylContact C-O 3.47Å; G110-R136 WeakPolarHBondContact CA-O 3.28Å; V111-R136 PolarHBondContact N-O 3.5Å; V111-R136 PolarHBondContact O-N 2.81Å; E134-R136 HydrophobicContact CG-CG 4.31Å; E134-R136 IonicContact OE1-CZ 3.64Å; E134-R136 IonicContact OE1-NH1 3.5Å; E134-R136 PolarHBondContact OE1-NH1 2.68Å; R136-V163 HydrophobicContact CG-CG1 3.83Å
137L95.4Very high87.4Confident29 Ų2951.1 Ų51.115%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-65.2152.9170.7-61.6175.6000110.4I23 L27 R28 A31 A139 D140 A141I23-L137 HydrophobicContact CG2-CD2 4.1Å; L27-L137 HydrophobicContact CB-CD2 4.49Å; L27-L137 HydrophobicContact CD2-CD2 4.2Å; L27-L137 HydrophobicContact CD2-CG 4.16Å; L27-L137 HydrophobicContact CG-CD2 4.04Å; L27-L137 HydrophobicContact CG-CG 4.12Å; R28-L137 HydrophobicContact CB-CD2 4.15Å; A31-L137 HydrophobicContact CB-CD1 3.74Å; L137-A139 PolarHBondContact O-N 3.05Å; L137-D140 PolarHBondContact O-N 2.88Å; L137-A141 WeakPolarHBondContact O-CB 2.98Å; L137-A141 PolarHBondContact O-N 2.76Å
138A92.2Very high85.5Confident11 Ų1154.3 Ų54.39%0.09128%0.279CS..Hα-helixtrans-59.5-45.7-179.300000111.9S108 V109 D140 A141 Q142S108-A138 WeakPolarHBondContact O-CB 3.43Å; V109-A138 WeakPolarHBondContact O-CB 3.36Å; V109-A138 PolarHBondContact O-N 3.22Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 3.11Å; A138-A141 PolarHBondContact O-N 2.8Å; A138-A141 VanDerWaalsContact O-N 3.16Å; A138-Q142 VanDerWaalsContact C-OE1 3.28Å; A138-Q142 WeakPolarHBondContact O-CB 3.29Å; A138-Q142 WeakPolarHBondContact O-CG 3.46Å; A138-Q142 PolarHBondContact O-N 3.35Å; A138-Q142 PolarHBondContact O-OE1 3.06Å; A138-Q142 VanDerWaalsContact O-OE1 3.09Å
139A85.5Confident83.3Confident64 Ų6457.8 Ų57.853%0.52930%0.302SS..Hα-helixtrans-54.6-46.1179.300000112.3L137 Q142 A143L137-A139 PolarHBondContact O-N 3.05Å; A139-Q142 PolarHBondContact O-N 2.85Å; A139-A143 WeakPolarHBondContact O-CB 3.47Å; A139-A143 PolarHBondContact O-N 2.99Å
140D81.2Confident81.4Confident43 Ų4360.4 Ų60.423%0.2331%0.314CS..Hα-helixtrans-67.4-44178.6-57.4-22.4000111.4L137 A138 Q142 A143 A144 D160L137-D140 PolarHBondContact O-N 2.88Å; A138-D140 VanDerWaalsContact C-N 3.32Å; A138-D140 PolarHBondContact O-N 3.11Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 2.96Å; D140-A143 PolarHBondContact O-N 2.74Å; D140-A144 PolarHBondContact O-N 3.35Å; D140-D160 HydrophobicContact CB-CB 4.44Å
141A78.6Confident79.1Confident4 Ų468.1 Ų68.13%0.03335%0.348CS..Hα-helixtrans-62.7-37.417600000112.3V111 L137 A138 H145V111-A141 HydrophobicContact CB-CB 3.92Å; V111-A141 HydrophobicContact CG2-CB 3.55Å; L137-A141 WeakPolarHBondContact O-CB 2.98Å; L137-A141 PolarHBondContact O-N 2.76Å; A138-A141 PolarHBondContact O-N 2.8Å; A138-A141 VanDerWaalsContact O-N 3.16Å; A141-H145 PolarHBondContact O-ND1 2.85Å
142Q79.7Confident76.9Confident110 Ų11077.1 Ų77.151%0.51439%0.387SS..Hα-helixtrans-73.3-39.4176.8-68.6149.5-6.400111.5A138 A139 D140 A144 H145 A146A138-Q142 VanDerWaalsContact C-OE1 3.28Å; A138-Q142 WeakPolarHBondContact O-CB 3.29Å; A138-Q142 WeakPolarHBondContact O-CG 3.46Å; A138-Q142 PolarHBondContact O-N 3.35Å; A138-Q142 PolarHBondContact O-OE1 3.06Å; A138-Q142 VanDerWaalsContact O-OE1 3.09Å; A139-Q142 PolarHBondContact O-N 2.85Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 2.96Å; Q142-A144 PolarHBondContact O-N 3.48Å; Q142-H145 PolarHBondContact O-N 2.81Å; Q142-A146 PolarHBondContact O-N 2.97Å
143A74.8Confident74.8Confident65 Ų6587.3 Ų87.354%0.53743%0.425SS..Hα-helixtrans-60-33.1173.300000112.3A139 D140 H145A139-A143 WeakPolarHBondContact O-CB 3.47Å; A139-A143 PolarHBondContact O-N 2.99Å; D140-A143 PolarHBondContact O-N 2.74Å; A143-H145 VanDerWaalsContact C-N 3.29Å; A143-H145 PolarHBondContact O-N 2.62Å
144A74.1Confident72.9Confident28 Ų2891.7 Ų91.723%0.23145%0.45CS..THydrogen-bonded Turntrans-69.9-20.4172.900000114.2I79 D140 Q142I79-A144 WeakPolarHBondContact CD1-O 3.43Å; D140-A144 PolarHBondContact O-N 3.35Å; Q142-A144 PolarHBondContact O-N 3.48Å
145H69.2Low71.2Confident152 Ų15297.4 Ų97.470%0.70450%0.497SS*.THydrogen-bonded Turntrans-98.7-30.7179-70.372.8000112.8A141 Q142 A143 Y147A141-H145 PolarHBondContact O-ND1 2.85Å; Q142-H145 PolarHBondContact O-N 2.81Å; A143-H145 VanDerWaalsContact C-N 3.29Å; A143-H145 PolarHBondContact O-N 2.62Å; H145-Y147 PolarHBondContact O-N 2.94Å
146A66.1Low70.3Confident48 Ų4899.7 Ų99.740%0.39751%0.513SS..SBendtrans-75.9109.9173.700000110.3Q142 R148Q142-A146 PolarHBondContact O-N 2.97Å; A146-R148 HydrophobicContact CB-CG 4.31Å; A146-R148 PolarHBondContact O-N 3.13Å
147Y58.2Low69.6Low213 Ų213103 Ų10384%0.83553%0.529SS*.  trans-64.388.2167.1-176.4-93000109.6H145 P149H145-Y147 PolarHBondContact O-N 2.94Å; Y147-P149 HydrophobicContact CE1-CG 4.13Å
148R56.4Low68.9Low204 Ų204106 Ų10677%0.7754%0.539SS*.  trans-99.8119.8167.6-66.9-169178.2-158.80.5107.6A146 M150A146-R148 HydrophobicContact CB-CG 4.31Å; A146-R148 PolarHBondContact O-N 3.13Å; R148-M150 PolarHBondContact O-N 2.92Å
149P53.6Low68.1Low91 Ų91107.3 Ų107.359%0.59154%0.544SS*.  trans-54.7112.8167.8-2433.8000108.7Y147 K151Y147-P149 HydrophobicContact CE1-CG 4.13Å; P149-K151 VanDerWaalsContact C-N 3.3Å; P149-K151 PolarHBondContact O-N 2.9Å
150M56.4Low67.8Low122 Ų122105 Ų10560%0.60152%0.523SS*.  trans-68.788.4-177.8-73.7-172.6-176.900109.6R148 F152R148-M150 PolarHBondContact O-N 2.92Å; M150-F152 PolarHBondContact O-N 2.99Å
151K52.2Low67.8Low183 Ų183107.8 Ų107.880%0.79654%0.538SS*.  trans-66.399.5173.6-64.7-174.8-178.5-176.50109.3P149 R153P149-K151 VanDerWaalsContact C-N 3.3Å; P149-K151 PolarHBondContact O-N 2.9Å; K151-R153 PolarHBondContact O-N 2.64Å
152F52Low68.6Low211 Ų211109.6 Ų109.693%0.92554%0.544SS*.SBendtrans53.64.8161.9-83.4-89.2000119.4M150 N154M150-F152 PolarHBondContact O-N 2.99Å; F152-N154 VanDerWaalsContact C-N 3.32Å; F152-N154 PolarHBondContact O-N 2.94Å
153R54.7Low69.4Low214 Ų214104.3 Ų104.381%0.80852%0.519SS*.  trans-73.887.5173.9-73.5-167.8178-169.8-0.8111.5K151K151-R153 PolarHBondContact O-N 2.64Å
154N57.1Low70.5Confident125 Ų125101.2 Ų101.267%0.66849%0.494SS*.  trans78132.2154.6-49.3-11.8000115.3F152 S156F152-N154 VanDerWaalsContact C-N 3.32Å; F152-N154 PolarHBondContact O-N 2.94Å; N154-S156 PolarHBondContact O-N 3.24Å
155A63.9Low71.7Confident119 Ų11999.9 Ų99.998%0.98348%0.483SS*.SBendtrans-68.317.5165.900000113.3
156S77.6Confident73.1Confident49 Ų4993.9 Ų93.934%0.34345%0.454SS..  trans-81.6137.8179.7-179.70000110.2R73 N154 R158R73-S156 PolarHBondContact NH2-O 3.22Å; N154-S156 PolarHBondContact O-N 3.24Å; S156-R158 VanDerWaalsContact C-N 3.27Å; S156-R158 PolarHBondContact O-N 3.13Å; S156-R158 PolarHBondContact OG-N 2.73Å
157M83.5Confident74.6Confident77 Ų7791.6 Ų91.638%0.37944%0.435SS..  trans-79.2-6.2172.9-70.5-68.7-78.100112.9D72 R73 P76D72-M157 CarbonylContact C-O 3.55Å; R73-M157 WeakPolarHBondContact CB-O 3.49Å; R73-M157 HydrophobicContact CG-CB 4.18Å; R73-M157 HydrophobicContact CG-CE 3.54Å; R73-M157 WeakPolarHBondContact CG-O 3.08Å; R73-M157 HydrophobicContact CG-SD 3.65Å; R73-M157 PolarHBondContact N-O 2.77Å; R73-M157 PolarHBondContact NE-O 3.44Å; R73-M157 VanDerWaalsContact NE-O 3.13Å; R73-M157 VanDerWaalsContact O-CE 3.31Å; R73-M157 WeakPolarHBondContact O-CE 3.38Å; P76-M157 HydrophobicContact CB-SD 4.47Å; P76-M157 HydrophobicContact CG-SD 4.33Å
158R81.2Confident76.5Confident93 Ų9384.8 Ų84.835%0.35141%0.408SS..EExtended strand (participates in β ladder)trans-62.2142.3179.4-69.2-168.3174.7-159.1-2.4112.6D72 R73 S156 D161D72-R158 WeakPolarHBondContact OD1-CG 3.38Å; R73-R158 PolarHBondContact NH2-O 3.42Å; S156-R158 VanDerWaalsContact C-N 3.27Å; S156-R158 PolarHBondContact O-N 3.13Å; S156-R158 PolarHBondContact OG-N 2.73Å; R158-D161 PolarHBondContact NH1-O 2.67Å
159L75.4Confident78.5Confident39 Ų3981.1 Ų81.120%0.20440%0.398CS..EExtended strand (participates in β ladder)trans-89.8-51.8166.5-70169000109.6R71 R73 I79 P81R71-L159 HydrophobicContact CG-CB 4.5Å; R71-L159 HydrophobicContact CG-CD1 4.25Å; R71-L159 WeakPolarHBondContact O-CB 3.49Å; R71-L159 PolarHBondContact O-N 3.5Å; R73-L159 HydrophobicContact CB-CD1 4.37Å; R73-L159 HydrophobicContact CB-CD2 3.77Å; R73-L159 HydrophobicContact CB-CG 3.86Å; I79-L159 WeakPolarHBondContact O-CD1 3.32Å; P81-L159 HydrophobicContact CB-CD1 3.79Å
160D78.9Confident80.5Confident14 Ų1483 Ų838%0.07540%0.397CS..EExtended strand (participates in β ladder)trans-132.5154.3-176.9-31.7-59.4000107.7R71 D140R71-D160 VanDerWaalsContact CD-OD2 3.25Å; R71-D160 WeakPolarHBondContact CD-OD2 3.47Å; R71-D160 IonicContact CZ-OD2 3.48Å; R71-D160 IonicContact NE-OD2 3.56Å; R71-D160 IonicContact NH1-OD1 2.62Å; R71-D160 IonicContact NH1-OD2 3.4Å; R71-D160 PolarHBondContact NH1-OD2 2.72Å; D140-D160 HydrophobicContact CB-CB 4.44Å
161D80.3Confident82.2Confident102 Ų10281.1 Ų81.155%0.54540%0.4SS..EExtended strand (participates in β ladder)trans-70.4-40.4-179.7-79.3-36.6000112.4R158R158-D161 PolarHBondContact NH1-O 2.67Å
162W94.7Very high83.5Confident42 Ų4275.9 Ų75.916%0.15939%0.387CS..EExtended strand (participates in β ladder)trans-145.7144.6178-64.7102.7000111.4L27 R30 D43 F68L27-W162 HydrophobicContact CD1-CB 4.16Å; R30-W162 HydrophobicContact CG-CB 4.4Å; R30-W162 HydrophobicContact CG-CD2 4.1Å; R30-W162 HydrophobicContact CG-CG 3.9Å; R30-W162 VanDerWaalsContact NH2-CH2 3.3Å; D43-W162 HydrophobicContact CB-CH2 4.36Å; D43-W162 HydrophobicContact CB-CZ3 4.43Å; F68-W162 HydrophobicContact CB-CD2 4.47Å; F68-W162 HydrophobicContact CB-CE3 3.7Å; F68-W162 HydrophobicContact CB-CZ3 4.03Å
163V97.1Very high83.6Confident0 Ų071.9 Ų71.90%038%0.383CS..EExtended strand (participates in β ladder)trans-121.6150.2158.6-66.20000109.7F68 S69 R71 E134 Y135 R136F68-V163 WeakPolarHBondContact CA-O 3.47Å; S69-V163 PolarHBondContact N-O 3.01Å; S69-V163 WeakPolarHBondContact O-CG2 3.29Å; S69-V163 PolarHBondContact O-N 2.76Å; R71-V163 HydrophobicContact CB-CG1 4.1Å; R71-V163 HydrophobicContact CB-CG2 4.23Å; R71-V163 HydrophobicContact CG-CG1 4.43Å; E134-V163 HydrophobicContact CG-CB 4.37Å; E134-V163 HydrophobicContact CG-CG2 4.39Å; Y135-V163 WeakPolarHBondContact O-CB 3.29Å; R136-V163 HydrophobicContact CG-CG1 3.83Å
164L98.3Very high83.3Confident0 Ų069.6 Ų69.60%038%0.382CS..EExtended strand (participates in β ladder)trans-96.5131.5172.2-177.5158.9000108.2L22 L27 I41 Y66 F67 F68 Y135L22-L164 HydrophobicContact CB-CD1 4.29Å; L22-L164 HydrophobicContact CB-CD2 4.43Å; L22-L164 HydrophobicContact CD1-CD2 4.22Å; L22-L164 HydrophobicContact CD2-CD1 3.91Å; L22-L164 HydrophobicContact CD2-CD2 3.97Å; L22-L164 HydrophobicContact CG-CD2 4.45Å; L27-L164 HydrophobicContact CB-CB 4.14Å; L27-L164 HydrophobicContact CB-CD1 4.42Å; L27-L164 HydrophobicContact CD1-CB 4.1Å; L27-L164 HydrophobicContact CD2-CB 4.32Å; L27-L164 HydrophobicContact CG-CB 4.41Å; I41-L164 HydrophobicContact CD1-CD1 3.68Å; I41-L164 HydrophobicContact CD1-CG 4.4Å; Y66-L164 HydrophobicContact CD1-CD2 4.31Å; F67-L164 CarbonylContact O-C 3.54Å; F67-L164 WeakPolarHBondContact O-CA 3.32Å; F68-L164 HydrophobicContact CD1-CB 4.21Å; F68-L164 HydrophobicContact CD1-CG 4.49Å; F68-L164 HydrophobicContact CE1-CB 4.26Å; F68-L164 HydrophobicContact CE1-CD1 3.88Å; F68-L164 HydrophobicContact CE1-CG 4.31Å; Y135-L164 WeakPolarHBondContact CB-O 3.41Å; Y135-L164 HydrophobicContact CD2-CD2 3.57Å; Y135-L164 WeakPolarHBondContact CD2-O 3.42Å; Y135-L164 HydrophobicContact CE2-CD2 4.09Å; Y135-L164 HydrophobicContact CG-CD2 4.18Å; Y135-L164 PolarHBondContact N-O 3.48Å; Y135-L164 PolarHBondContact O-N 2.89Å
165C98.5Very high82.7Confident0 Ų069.6 Ų69.60%039%0.386CS..EExtended strand (participates in β ladder)trans-125.2120.5-177.5-73.10000111.1I46 Y66 F67 M132 H133 I167I46-C165 HydrophobicContact CD1-CB 3.59Å; I46-C165 WeakPolarHBondContact CD1-SG 3.35Å; Y66-C165 WeakPolarHBondContact CA-O 3.31Å; F67-C165 PolarHBondContact N-O 2.82Å; F67-C165 PolarHBondContact O-N 2.93Å; M132-C165 HydrophobicContact CG-CB 4.21Å; M132-C165 HydrophobicContact SD-CB 4.32Å; H133-C165 WeakPolarHBondContact O-CA 3.2Å; C165-I167 HydrophobicContact CB-CD1 4.48Å
166R98.4Very high81.6Confident26 Ų2669.2 Ų69.210%0.09837%0.374CS..EExtended strand (participates in β ladder)trans-92.4122.4166.5-174.4-165.4-73.4-161.46.8108.8P17 E64 W65 Y66 M132 H133 Y135P17-R166 PolarHBondContact O-NH2 3.35Å; P17-R166 VanDerWaalsContact O-NH2 3.13Å; E64-R166 HydrophobicContact CB-CG 4.16Å; E64-R166 IonicContact OE1-CZ 3.43Å; E64-R166 IonicContact OE1-NE 3.59Å; E64-R166 IonicContact OE1-NH1 2.74Å; E64-R166 PolarHBondContact OE1-NH1 2.85Å; E64-R166 VanDerWaalsContact OE2-CD 3.29Å; E64-R166 WeakPolarHBondContact OE2-CD 3.42Å; E64-R166 IonicContact OE2-CZ 2.68Å; E64-R166 IonicContact OE2-NE 3.52Å; E64-R166 IonicContact OE2-NH1 2.76Å; E64-R166 PolarHBondContact OE2-NH1 2.98Å; W65-R166 CarbonylContact O-C 3.23Å; W65-R166 WeakPolarHBondContact O-CA 3.25Å; Y66-R166 HydrophobicContact CD1-CB 4.12Å; Y66-R166 HydrophobicContact CD1-CG 4.24Å; Y66-R166 HydrophobicContact CE1-CB 4Å; Y66-R166 HydrophobicContact CE1-CG 3.83Å; Y66-R166 HydrophobicContact CE2-CG 4.43Å; Y66-R166 PolarHBondContact OH-NE 2.86Å; Y66-R166 PolarHBondContact OH-NH2 2.91Å; M132-R166 CarbonylContact C-O 3.51Å; M132-R166 WeakPolarHBondContact CA-O 3.44Å; H133-R166 HydrophobicContact CB-CB 4.37Å; H133-R166 PolarHBondContact N-O 2.77Å; H133-R166 PolarHBondContact O-N 3.43Å; Y135-R166 HydrophobicContact CE2-CB 4.1Å
167I98.4Very high80.3Confident0 Ų071.5 Ų71.50%040%0.396CS..EExtended strand (participates in β ladder)trans-109.6137178.4-51.2-62.6000109.2L54 E64 W65 F67 W90 W130 I131 M132 C165L54-I167 HydrophobicContact CD1-CD1 4.14Å; L54-I167 HydrophobicContact CD1-CG1 3.92Å; L54-I167 HydrophobicContact CD1-CG2 4.21Å; E64-I167 CarbonylContact C-O 3.53Å; E64-I167 VanDerWaalsContact CA-O 3.25Å; E64-I167 WeakPolarHBondContact CA-O 3.41Å; W65-I167 PolarHBondContact N-O 3.39Å; W65-I167 PolarHBondContact O-N 3.37Å; F67-I167 HydrophobicContact CD2-CG1 3.73Å; F67-I167 HydrophobicContact CE2-CB 4.23Å; F67-I167 HydrophobicContact CE2-CG1 3.68Å; W90-I167 HydrophobicContact CH2-CD1 4.28Å; W90-I167 HydrophobicContact CZ2-CD1 4.36Å; W130-I167 HydrophobicContact CE3-CG2 4.05Å; W130-I167 HydrophobicContact CZ3-CG2 4.19Å; I131-I167 WeakPolarHBondContact O-CA 3.31Å; M132-I167 HydrophobicContact CB-CD1 3.7Å; M132-I167 HydrophobicContact CE-CD1 3.71Å; M132-I167 HydrophobicContact CG-CD1 3.63Å; M132-I167 HydrophobicContact SD-CD1 4.4Å; C165-I167 HydrophobicContact CB-CD1 4.48Å
168Y98.2Very high78.5Confident69 Ų6976.4 Ų76.427%0.27142%0.42SS..EExtended strand (participates in β ladder)trans-153.3160.4170.669.5-80.3000112K63 I131 H133K63-Y168 WeakPolarHBondContact O-CB 3.39Å; I131-Y168 HydrophobicContact CB-CD1 4Å; I131-Y168 HydrophobicContact CB-CD2 4.48Å; I131-Y168 HydrophobicContact CB-CE1 3.55Å; I131-Y168 HydrophobicContact CB-CE2 4.08Å; I131-Y168 HydrophobicContact CB-CG 4.45Å; I131-Y168 HydrophobicContact CG1-CE1 4.34Å; I131-Y168 HydrophobicContact CG1-CE2 4Å; I131-Y168 HydrophobicContact CG2-CD1 4.36Å; I131-Y168 HydrophobicContact CG2-CE1 3.51Å; I131-Y168 PolarHBondContact N-O 2.76Å; I131-Y168 PolarHBondContact O-N 2.84Å; H133-Y168 AromaticContact CE1-CE1 3.76Å
169K97.8Very high76.9Confident128 Ų12876.4 Ų76.456%0.55744%0.44SS*.EExtended strand (participates in β ladder)trans-102.5118.2174-167179.1-175.7178.10109.3N129 W130N129-K169 HydrophobicContact CB-CG 4.4Å; W130-K169 HydrophobicContact CD2-CB 4.07Å; W130-K169 HydrophobicContact CD2-CG 4.14Å; W130-K169 HydrophobicContact CE3-CB 3.89Å; W130-K169 HydrophobicContact CE3-CG 4.47Å; W130-K169 HydrophobicContact CH2-CB 4.06Å; W130-K169 HydrophobicContact CH2-CD 4.33Å; W130-K169 HydrophobicContact CZ2-CB 4.21Å; W130-K169 HydrophobicContact CZ2-CD 3.78Å; W130-K169 HydrophobicContact CZ2-CG 4.24Å; W130-K169 HydrophobicContact CZ3-CB 3.91Å
170K96.3Very high75.2Confident130 Ų13078.9 Ų78.957%0.56547%0.466SS*.PPolyproline II helixtrans-66.1136.7173.3-168.9-172.8173.9-175.60109.4N129 I131 S172N129-K170 HydrophobicContact CB-CB 4.27Å; N129-K170 WeakPolarHBondContact CB-O 3.3Å; N129-K170 PolarHBondContact O-N 3.01Å; I131-K170 HydrophobicContact CG1-CB 4.34Å; K170-S172 PolarHBondContact O-N 2.73Å
171A91.4Very high74.1Confident82 Ų8284.2 Ų84.268%0.67850%0.499SS*.PPolyproline II helixtrans-60.6132.7168.600000110.2C173A171-C173 PolarHBondContact O-N 3.3Å
172S79.4Confident72.4Confident74 Ų7484.8 Ų84.852%0.51751%0.508SS..  trans-74.2102.9170.747.30000109.3K170 Q174K170-S172 PolarHBondContact O-N 2.73Å; S172-Q174 PolarHBondContact O-N 3.31Å
173C54.5Low70.1Confident126 Ų12691.7 Ų91.785%0.85154%0.542SS*.  trans-67.978.5153.2-85.20000108.1A171 V175A171-C173 PolarHBondContact O-N 3.3Å; C173-V175 VanDerWaalsContact C-N 3.33Å; C173-V175 PolarHBondContact O-N 3Å
174Q47.5Very low67.9Low167 Ų16799.7 Ų99.778%0.7858%0.584SS**  trans-67.2106146-67.4-176.72.200104.5S172 P176S172-Q174 PolarHBondContact O-N 3.31Å; Q174-P176 WeakPolarHBondContact O-CD 3.22Å
175V46.1Very low65.1Low125 Ų125105.2 Ų105.276%0.75862%0.623SS**  trans-54124.8155.3-175.80000104.1C173 A177C173-V175 VanDerWaalsContact C-N 3.33Å; C173-V175 PolarHBondContact O-N 3Å; V175-A177 PolarHBondContact O-N 2.84Å
176P41Very low62.6Low110 Ų110112.5 Ų112.571%0.71466%0.662SS**  trans-53.5120.1175.3-23.433.2000106.9Q174 M178Q174-P176 WeakPolarHBondContact O-CD 3.22Å; P176-M178 VanDerWaalsContact C-N 3.3Å; P176-M178 PolarHBondContact O-N 2.59Å
177A48.6Very low60.4Low98 Ų98118.7 Ų118.781%0.8169%0.691SS**  trans-58.7106.4167.600000104.8V175 A179V175-A177 PolarHBondContact O-N 2.84Å; A177-A179 PolarHBondContact O-N 2.99Å; A177-A179 VanDerWaalsContact O-N 3.08Å
178M46.8Very low57.8Low179 Ų179123.4 Ų123.488%0.88272%0.717SS**PPolyproline II helixtrans-50.9121.5-173.358.9-147.6-153.500108P176 A180P176-M178 VanDerWaalsContact C-N 3.3Å; P176-M178 PolarHBondContact O-N 2.59Å; M178-A180 PolarHBondContact O-N 3.14Å; M178-A180 VanDerWaalsContact O-N 3.14Å
179A47.7Very low55.3Low93 Ų93127 Ų12777%0.76974%0.736SS**PPolyproline II helixtrans-50.7124.2-161.700000109.8A177 V181A177-A179 PolarHBondContact O-N 2.99Å; A177-A179 VanDerWaalsContact O-N 3.08Å; A179-V181 PolarHBondContact O-N 3.46Å
180A40.2Very low52.7Low92 Ų92127.4 Ų127.476%0.7674%0.744SS**PPolyproline II helixtrans-54.1118.4-174.700000109.6M178 P182M178-A180 PolarHBondContact O-N 3.14Å; M178-A180 VanDerWaalsContact O-N 3.14Å; A180-P182 VanDerWaalsContact O-CD 3.26Å; A180-P182 WeakPolarHBondContact O-CD 3.44Å
181V54.1Low50Low126 Ų126128.4 Ų128.476%0.76475%0.751SS**PPolyproline II helixtrans-68117.6163.5-178.90000105.7A179 Q183A179-V181 PolarHBondContact O-N 3.46Å; V181-Q183 PolarHBondContact O-N 3.4Å
182P44.8Very low47.8Very low114 Ų114132.2 Ų132.274%0.7475%0.754SS**  trans-68.4107.6172.5-10.627.1000106.6A180 L184A180-P182 VanDerWaalsContact O-CD 3.26Å; A180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-L184 PolarHBondContact O-N 3.4Å
183Q46.9Very low45.7Very low187 Ų187133.7 Ų133.787%0.87476%0.763SS**PPolyproline II helixtrans-69120.8168.1-75.7-158.5-28.900107.9V181V181-Q183 PolarHBondContact O-N 3.4Å
184L51.8Low44.8Very low167 Ų167131 Ų13187%0.87476%0.757SS**PPolyproline II helixtrans-62.8137.7179.6-71.6158.7000109.5P182P182-L184 PolarHBondContact O-N 3.4Å
185S38.1Very low44.5Very low117 Ų117132 Ų13282%0.81876%0.759SS**PPolyproline II helixtrans-63.2137.3172.449.70000111.8
186D46.8Very low44.3Very low153 Ų153131.7 Ų131.782%0.81875%0.753SS**  trans-144159.6148.4-151.3-5.5000110.6
187H51.2Low44.4Very low155 Ų155133 Ų13372%0.71875%0.754SS**  trans-49.7163.4177.6-87.3-51.2000114.7
188D44.2Very low44.6Very low100 Ų100135.3 Ų135.354%0.53575%0.753SS.*  cis-163.6168.95.5-120.1-30.3000110.7
189Q47.2Very low44.5Very low145 Ų145131.4 Ų131.468%0.67874%0.741SS**  trans29.2140.6142-61.915749.100120.4
190D42.6Very low44.2Very low135 Ų135137.9 Ų137.972%0.72275%0.747SS**  cis-165.8163.40.8-112.4-35.9000109.8
191E40.1Very low44.1Very low152 Ų152138 Ų13871%0.7175%0.748SS**  trans27.4116.1150.7-69.7-72.3114.100120.9
192H43.6Very low43.6Very low162 Ų162136.6 Ų136.675%0.7575%0.75SS**  171165.385.7-155.359.7000112.6
193C35.7Very low43.8Very low104 Ų104139.1 Ų139.170%0.70375%0.753SS**  trans-94.1165.3-159.459.80000117.1
194G36.4Very low43.5Very low70 Ų70137.3 Ų137.372%0.72275%0.749SS**  trans150.2104143.100000119.7
195F40.7Very low43.1Very low189 Ų189136.5 Ų136.583%0.82975%0.745SS**  trans69.896.5130.5-146.7-96.8000122
196D42Very low43.2Very low118 Ų118139.8 Ų139.863%0.63175%0.747SS**  72.4151.5129.6-67.4-95.3000126.7
197D43.9Very low42.6Very low137 Ų137136.4 Ų136.473%0.73375%0.748SS**  trans65.796.8155.3-74.2-45.5000123.9
198N52.4Low42.2Very low147 Ų147132.5 Ų132.579%0.78674%0.743SS**  42.3157.9103.6-137.723.8000121
199P45Very low42Very low96 Ų96133.4 Ų133.462%0.62376%0.758SS**  -127.5-170.3-89.243.8-27.3000113.3
200Y39.5Very low41.8Very low230 Ų230136 Ų13690%0.90276%0.762SS**  trans78.9148.6163.6-137-97.8000116.8
201A39.8Very low41.7Very low94 Ų94135 Ų13578%0.77777%0.767SS**  trans71.380.2174.300000118.8
202A43.6Very low42.3Very low97 Ų97138 Ų13880%0.80277%0.773SS**  trans-144.7100.8141.300000111.4
203M47.4Very low42.5Very low166 Ų166136 Ų13682%0.81877%0.774SS**  trans40.2118.1132.5-68.3-178.857.500119.9
204L42Very low42.9Very low150 Ų150135.5 Ų135.579%0.78578%0.777SS**  54.985.975.6-73.2168.7000114.6
205L42.2Very low43.9Very low150 Ų150137.7 Ų137.779%0.78578%0.779SS**  -177.5169.4110.3-123.563.9000111.4
206Q41.2Very low44.1Very low185 Ų185134.6 Ų134.686%0.86478%0.778SS**  trans68121.4172.9-60.7156.59.900114.6
207G34.2Very low44Very low82 Ų82138.4 Ų138.485%0.84579%0.791SS**  cis106.357.413.600000111.7
208A43.3Very low43.9Very low74 Ų74136.1 Ų136.161%0.61279%0.792SS**  trans-140.2112.417200000110Y210A208-Y210 HydrophobicContact CB-CD2 4.38Å; A208-Y210 HydrophobicContact CB-CE2 3.85Å; A208-Y210 PolarHBondContact O-N 3.46Å
209S38.3Very low43.3Very low119 Ų119134.3 Ų134.383%0.83280%0.797SS**  trans-77.3112.717649.60000110.8
210Y43.4Very low43.2Very low198 Ų198134.1 Ų134.178%0.77680%0.804SS**  trans-107.494.3167.8-72.6-75.6000110.4A208 Y212A208-Y210 HydrophobicContact CB-CD2 4.38Å; A208-Y210 HydrophobicContact CB-CE2 3.85Å; A208-Y210 PolarHBondContact O-N 3.46Å; Y210-Y212 PolarHBondContact O-N 2.83Å
211S40.9Very low43.4Very low116 Ų116126.3 Ų126.381%0.81179%0.793SS**  trans-71.3110.2170.5500000110.4
212Y52.1Low43.7Very low215 Ų215126.8 Ų126.884%0.84380%0.797SS**PPolyproline II helixtrans-81.1134.6166-81.6-87.5000110.3Y210Y210-Y212 PolarHBondContact O-N 2.83Å
213P47.6Very low43.8Very low119 Ų119131 Ų13177%0.77380%0.8SS**PPolyproline II helixtrans-73.1134178.129.7-33.5000110.9
214A44.1Very low43.9Very low94 Ų94131.9 Ų131.978%0.77779%0.794SS**PPolyproline II helixtrans-72.5134.8173.400000110.8
215P58.9Low44Very low116 Ų116132.5 Ų132.575%0.75380%0.795SS**PPolyproline II helixtrans-71.7153.3171.830.6-33.8000111
216P45.3Very low44.7Very low123 Ų123130.9 Ų130.980%0.79979%0.794SS**PPolyproline II helixtrans-71.5151-169.428.7-35.7000113.4A218P216-A218 PolarHBondContact O-N 2.84Å
217H39.1Very low45.7Very low198 Ų198131.7 Ų131.792%0.91779%0.789SS**  trans-60.699.1172.9-85.6-106.6000111.7
218A42.1Very low47.6Very low90 Ų90135.3 Ų135.374%0.74479%0.787SS**  trans-80115.1161.500000109.2P216 A220P216-A218 PolarHBondContact O-N 2.84Å; A218-A220 PolarHBondContact O-N 2.86Å
219A39.4Very low48.5Very low109 Ų109134.5 Ų134.590%0.90178%0.776SS**  trans-72.273.8175.300000111.1G221A219-G221 PolarHBondContact O-N 2.87Å
220A43.4Very low50Low92 Ų92130.5 Ų130.576%0.7675%0.748SS**  trans-75103.6172.200000109.4A218 A222A218-A220 PolarHBondContact O-N 2.86Å; A220-A222 PolarHBondContact O-N 2.96Å
221G42.6Very low51.1Low65 Ų65125.1 Ų125.167%0.6773%0.732SS**  trans-54.2132174.700000110.9A219 Q223A219-G221 PolarHBondContact O-N 2.87Å; G221-Q223 VanDerWaalsContact C-N 3.25Å; G221-Q223 PolarHBondContact O-N 3.02Å
222A46.5Very low52.4Low105 Ų105123 Ų12387%0.86871%0.714SS**  trans-7079.8-176.900000111.4A220 R224A220-A222 PolarHBondContact O-N 2.96Å; A222-R224 PolarHBondContact O-N 2.86Å
223Q46Very low53.4Low186 Ų186118.4 Ų118.487%0.86970%0.7SS**  trans-64.682.5164.1-74.6-69.1-20.100108.3G221 M225G221-Q223 VanDerWaalsContact C-N 3.25Å; G221-Q223 PolarHBondContact O-N 3.02Å; Q223-M225 PolarHBondContact O-N 2.78Å
224R50.1Low54.4Low183 Ų183115.3 Ų115.369%0.69168%0.677SS**  trans-61.7107.5174.4173.5174.1167.4160.1-10.2107.7A222A222-R224 PolarHBondContact O-N 2.86Å
225M43.7Very low55.4Low164 Ų164116.2 Ų116.281%0.80866%0.664SS**  trans-38.4129.2170.8-95-79.1-155.300110.3Q223 R227Q223-M225 PolarHBondContact O-N 2.78Å; M225-R227 PolarHBondContact O-N 3.19Å
226P55.9Low55.7Low116 Ų116116.7 Ų116.775%0.75366%0.659SS**PPolyproline II helixtrans-52.3132.4173.1-25.234000109.7I228P226-I228 PolarHBondContact O-N 2.96Å
227R63.9Low56.7Low202 Ų202114.1 Ų114.176%0.76264%0.639SS**PPolyproline II helixtrans-71.7130.8170-78.4-170173.4153.6-1.7107.9M225 P229M225-R227 PolarHBondContact O-N 3.19Å; R227-P229 WeakPolarHBondContact O-CD 3.19Å
228I74Confident57.9Low158 Ų158109.9 Ų109.981%0.8163%0.629SS**PPolyproline II helixtrans-69.4120.2165.2-57.8169.3000105.7P226P226-I228 PolarHBondContact O-N 2.96Å
229P61.8Low59.2Low57 Ų57109.2 Ų109.237%0.3762%0.619SS.*PPolyproline II helixtrans-63.1145.8176.925.4-32.9000110.4R227 E233 L234R227-P229 WeakPolarHBondContact O-CD 3.19Å; P229-E233 WeakPolarHBondContact CA-OE2 3.29Å; P229-E233 HydrophobicContact CB-CB 3.78Å; P229-L234 HydrophobicContact CB-CG 4.23Å; P229-L234 HydrophobicContact CG-CD1 4.32Å; P229-L234 HydrophobicContact CG-CD2 3.86Å; P229-L234 HydrophobicContact CG-CG 3.85Å
230S70.3Confident60.1Low35 Ų35106.2 Ų106.225%0.24559%0.588CS.*PPolyproline II helixtrans-61.7161.916960.70000110.9T232 E233 L234S230-T232 PolarHBondContact O-N 3.31Å; S230-E233 WeakPolarHBondContact CB-OE2 3.3Å; S230-E233 PolarHBondContact N-OE2 3Å; S230-E233 PolarHBondContact O-N 3.3Å; S230-E233 VanDerWaalsContact O-N 3.08Å; S230-E233 WeakPolarHBondContact OG-CG 3.26Å; S230-E233 PolarHBondContact OG-N 2.99Å; S230-E233 PolarHBondContact OG-OE2 3.05Å; S230-L234 PolarHBondContact O-N 2.89Å
231L65.5Low60.7Low85 Ų85103.9 Ų103.945%0.44557%0.569SS.*Hα-helixtrans-58.4-36.3174.4-75.8173.1000111E233 L234 F235L231-E233 PolarHBondContact O-N 2.85Å; L231-L234 HydrophobicContact CD2-CD1 4.45Å; L231-L234 PolarHBondContact O-N 2.8Å; L231-F235 HydrophobicContact CB-CD2 4.25Å; L231-F235 HydrophobicContact CB-CE2 3.9Å; L231-F235 HydrophobicContact CD2-CE2 4.34Å; L231-F235 HydrophobicContact CD2-CZ 4.45Å; L231-F235 WeakPolarHBondContact O-CD2 3.02Å; L231-F235 WeakPolarHBondContact O-CG 3.47Å; L231-F235 PolarHBondContact O-N 2.82Å
232T68.5Low61.5Low70 Ų70108.3 Ų108.343%0.42957%0.571SS.*Hα-helixtrans-63.2-36.7175.4-48.40000113.3S230 N236S230-T232 PolarHBondContact O-N 3.31Å; T232-N236 WeakPolarHBondContact O-CB 3.39Å; T232-N236 PolarHBondContact O-N 3.28Å; T232-N236 PolarHBondContact O-ND2 3.36Å
233E72.4Confident61.8Low119 Ų119111.4 Ų111.456%0.55657%0.565SS**Hα-helixtrans-71.5-38.5174.4-74.9163.4130.400111.4P229 S230 L231 N236 D237P229-E233 WeakPolarHBondContact CA-OE2 3.29Å; P229-E233 HydrophobicContact CB-CB 3.78Å; S230-E233 WeakPolarHBondContact CB-OE2 3.3Å; S230-E233 PolarHBondContact N-OE2 3Å; S230-E233 PolarHBondContact O-N 3.3Å; S230-E233 VanDerWaalsContact O-N 3.08Å; S230-E233 WeakPolarHBondContact OG-CG 3.26Å; S230-E233 PolarHBondContact OG-N 2.99Å; S230-E233 PolarHBondContact OG-OE2 3.05Å; L231-E233 PolarHBondContact O-N 2.85Å; E233-N236 PolarHBondContact O-N 2.76Å; E233-D237 PolarHBondContact O-N 2.9Å
234L68.9Low62.3Low55 Ų55109.4 Ų109.429%0.28855%0.554SS.*Hα-helixtrans-65.6-37.5174.9-74.3164000113P229 S230 L231 N236 L240P229-L234 HydrophobicContact CB-CG 4.23Å; P229-L234 HydrophobicContact CG-CD1 4.32Å; P229-L234 HydrophobicContact CG-CD2 3.86Å; P229-L234 HydrophobicContact CG-CG 3.85Å; S230-L234 PolarHBondContact O-N 2.89Å; L231-L234 HydrophobicContact CD2-CD1 4.45Å; L231-L234 PolarHBondContact O-N 2.8Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-L240 HydrophobicContact CD2-CD1 3.59Å
235F64.3Low62.1Low113 Ų113108.6 Ų108.650%0.49656%0.558SS.*Hα-helixtrans-78.2-15.4179.2-67.5-49.7000114.2M3 L231M3-F235 HydrophobicContact CE-CE1 4.25Å; M3-F235 HydrophobicContact CE-CE2 4.28Å; M3-F235 HydrophobicContact CE-CZ 3.69Å; M3-F235 HydrophobicContact SD-CE1 4.27Å; M3-F235 HydrophobicContact SD-CZ 3.72Å; L231-F235 HydrophobicContact CB-CD2 4.25Å; L231-F235 HydrophobicContact CB-CE2 3.9Å; L231-F235 HydrophobicContact CD2-CE2 4.34Å; L231-F235 HydrophobicContact CD2-CZ 4.45Å; L231-F235 WeakPolarHBondContact O-CD2 3.02Å; L231-F235 WeakPolarHBondContact O-CG 3.47Å; L231-F235 PolarHBondContact O-N 2.82Å
236N65.3Low62Low125 Ų125109.8 Ų109.867%0.66856%0.562SS**THydrogen-bonded Turntrans-100.2-1.6177.5-79.5-26.5000113.7T232 E233 L234 P238T232-N236 WeakPolarHBondContact O-CB 3.39Å; T232-N236 PolarHBondContact O-N 3.28Å; T232-N236 PolarHBondContact O-ND2 3.36Å; E233-N236 PolarHBondContact O-N 2.76Å; L234-N236 VanDerWaalsContact C-N 3.34Å; N236-P238 VanDerWaalsContact O-CD 3.28Å; N236-P238 WeakPolarHBondContact O-CD 3.47Å
237D67.8Low61.1Low70 Ų70108.2 Ų108.237%0.37457%0.566SS.*  trans-81.2111.7177.5-168.8-29.2000110.9E233 S239 L240E233-D237 PolarHBondContact O-N 2.9Å; D237-S239 VanDerWaalsContact CG-OG 3.24Å; D237-S239 PolarHBondContact O-N 3.41Å; D237-S239 VanDerWaalsContact O-N 3.16Å; D237-S239 VanDerWaalsContact OD1-CB 3.28Å; D237-S239 WeakPolarHBondContact OD1-CB 3.35Å; D237-S239 PolarHBondContact OD1-N 3.21Å; D237-S239 PolarHBondContact OD1-OG 2.84Å; D237-S239 PolarHBondContact OD2-OG 3.23Å; D237-L240 HydrophobicContact CB-CD1 4.3Å; D237-L240 HydrophobicContact CB-CG 4.28Å; D237-L240 PolarHBondContact O-N 3.18Å; D237-L240 VanDerWaalsContact O-N 3.16Å
238P64.6Low59.6Low108 Ų108102.6 Ų102.670%0.70157%0.572SS**THydrogen-bonded Turntrans-64.9-19.8-178.9-18.432.9000113.3N236 L240N236-P238 VanDerWaalsContact O-CD 3.28Å; N236-P238 WeakPolarHBondContact O-CD 3.47Å; P238-L240 VanDerWaalsContact C-N 3.33Å
239S68.6Low57.7Low77 Ų7798.6 Ų98.654%0.53857%0.57SS.*THydrogen-bonded Turntrans-74.6-23.7178.373.30000113D237D237-S239 VanDerWaalsContact CG-OG 3.24Å; D237-S239 PolarHBondContact O-N 3.41Å; D237-S239 VanDerWaalsContact O-N 3.16Å; D237-S239 VanDerWaalsContact OD1-CB 3.28Å; D237-S239 WeakPolarHBondContact OD1-CB 3.35Å; D237-S239 PolarHBondContact OD1-N 3.21Å; D237-S239 PolarHBondContact OD1-OG 2.84Å; D237-S239 PolarHBondContact OD2-OG 3.23Å
240L57.2Low56.8Low46 Ų46105.4 Ų105.424%0.24160%0.599CS.*THydrogen-bonded Turntrans-87.4-14.1177.3-65.8-178.2000113.3L234 D237 P238 H242 F243 F244L234-L240 HydrophobicContact CD2-CD1 3.59Å; D237-L240 HydrophobicContact CB-CD1 4.3Å; D237-L240 HydrophobicContact CB-CG 4.28Å; D237-L240 PolarHBondContact O-N 3.18Å; D237-L240 VanDerWaalsContact O-N 3.16Å; P238-L240 VanDerWaalsContact C-N 3.33Å; L240-H242 PolarHBondContact O-N 3.14Å; L240-F243 HydrophobicContact CD2-CD2 4.08Å; L240-F243 HydrophobicContact CD2-CE2 4.44Å; L240-F243 PolarHBondContact O-N 2.84Å; L240-F244 HydrophobicContact CB-CE2 4.19Å; L240-F244 WeakPolarHBondContact O-CD2 3.46Å
241A57.2Low55.2Low43 Ų43112.1 Ų112.136%0.35563%0.626SS.*THydrogen-bonded Turntrans-53.2-39.7179.100000112.7F243 F244 E245A241-F243 VanDerWaalsContact C-N 3.26Å; A241-F243 PolarHBondContact O-N 2.96Å; A241-F244 PolarHBondContact O-N 2.99Å; A241-E245 PolarHBondContact O-N 2.85Å
242H58.6Low53.8Low157 Ų157115.4 Ų115.473%0.72764%0.644SS**Hα-helixtrans-60.1-29.1177.2-79-70.2000114.3L240 F244L240-H242 PolarHBondContact O-N 3.14Å; H242-F244 VanDerWaalsContact C-N 3.26Å; H242-F244 PolarHBondContact O-N 3.08Å
243F53.7Low52.3Low170 Ų170121.2 Ų121.275%0.74667%0.669SS**Hα-helixtrans-75.4-12.6175.5-74.8-77000113.7L240 A241L240-F243 HydrophobicContact CD2-CD2 4.08Å; L240-F243 HydrophobicContact CD2-CE2 4.44Å; L240-F243 PolarHBondContact O-N 2.84Å; A241-F243 VanDerWaalsContact C-N 3.26Å; A241-F243 PolarHBondContact O-N 2.96Å
244F55.2Low50.7Low144 Ų144120.2 Ų120.263%0.63268%0.681SS**Hα-helixtrans-115.5-3.1-175.1-60.9-64.4000114L240 A241 H242L240-F244 HydrophobicContact CB-CE2 4.19Å; L240-F244 WeakPolarHBondContact O-CD2 3.46Å; A241-F244 PolarHBondContact O-N 2.99Å; H242-F244 VanDerWaalsContact C-N 3.26Å; H242-F244 PolarHBondContact O-N 3.08Å
245E47.9Very low49.2Very low166 Ų166129.4 Ų129.478%0.77671%0.712SS**Hα-helixtrans-113.5-10-175.4-153.7162.2163.700113.8A241 G247A241-E245 PolarHBondContact O-N 2.85Å; E245-G247 PolarHBondContact O-N 3.36Å; E245-G247 VanDerWaalsContact O-N 3.15Å
246E39.7Very low48.2Very low190 Ų190132.4 Ų132.489%0.88873%0.732SS**  trans-87.777.7178.3-164.1166.5-166.100112
247G38.4Very low47Very low82 Ų82131.7 Ų131.785%0.84574%0.737SS**  trans-165.534.4-174.300000116.1E245E245-G247 PolarHBondContact O-N 3.36Å; E245-G247 VanDerWaalsContact O-N 3.15Å
248G32.2Very low45.7Very low85 Ų85136 Ų13688%0.87676%0.76SS**  trans-156.762-172.600000114.7
249G34.6Very low44.5Very low74 Ų74135.9 Ų135.976%0.76376%0.759SS**  trans-151.973.7-176.200000114.3
250M42.8Very low43.3Very low199 Ų199141 Ų14198%0.9877%0.774SS**  trans-112.889.3162.3-89.9179.2166.500109.5
251Q35.7Very low42.6Very low176 Ų176146.5 Ų146.582%0.82280%0.799SS**  trans-122.9155.2163-63.6-17449.300107.9
252D36Very low41.9Very low155 Ų155151.9 Ų151.983%0.82982%0.817SS**  trans61.596.1175-59.4-35.8000118.5
253M38.2Very low41.2Very low192 Ų192151.1 Ų151.195%0.94681%0.814SS**SBendtrans-175.663.8140.1-102.3-69.2-156.800111.9
254A38.6Very low40.9Very low98 Ų98149.7 Ų149.781%0.8181%0.809SS**  trans-173.565.1162.400000113.8
255R35.9Very low40.3Very low248 Ų248151.2 Ų151.294%0.93682%0.818SS**  trans-136.382.7162.4-84.7-164.3169.2176.1-1.1111.9
256L44.7Very low40.2Very low175 Ų175147.7 Ų147.792%0.91682%0.817SS**  trans-124.2122157.7-81.1170000109.6
257S38.5Very low40.5Very low111 Ų111144.8 Ų144.878%0.77682%0.815SS**  trans-48.9135.5178.347.90000116.5
258N40.6Very low40.9Very low160 Ų160148.1 Ų148.186%0.85681%0.813SS**  -163.2141.7120.4-147.917000111.2
259P40Very low41.6Very low106 Ų106151.8 Ų151.869%0.68881%0.811SS**  trans-112.7132.4-177.436.5-25.6000114.4
260Q44Very low41.9Very low183 Ų183151.6 Ų151.686%0.85581%0.809SS**  trans-168.6152.8147.8-117.3175.7-15.200113.7
261Q42.9Very low42.2Very low163 Ų163153.4 Ų153.476%0.76281%0.805SS**  trans73.1111172.8-60.21749.600116.1
262Q42Very low42.5Very low156 Ų156149.7 Ų149.773%0.72980%0.804SS**  78.1117.656.2-163.6172.220.800109.3
263Q43Very low43.5Very low141 Ų141148.1 Ų148.166%0.65980%0.8SS**  cis-163.2151.333.7-118153.31.800112.8
264Q47.1Very low43.8Very low140 Ų140145.3 Ų145.365%0.65479%0.793SS**  trans51.1144.7142.5-57.3168.42400120.4
265H43Very low44.2Very low176 Ų176145.5 Ų145.582%0.81579%0.789SS**  cis-143.1177.825.5-77.2-87.2000113.6
266A47.2Very low44.8Very low92 Ų92142 Ų14276%0.7678%0.783SS**  trans-98.2163.4-163.900000117.1
267P45.2Very low44.6Very low128 Ų128141.7 Ų141.783%0.83178%0.777SS**  trans-92.7155.9162.137.2-32.2000112.3
268L46.7Very low45Very low153 Ų153144.6 Ų144.680%0.80178%0.783SS**  trans-146.5124.1-171.5-163.4129.8000113.6
269L47.4Very low44.9Very low162 Ų162143.7 Ų143.785%0.84878%0.778SS**  trans59.4141.3169.7-58.1172.9000117.7
270G40.4Very low45.3Very low69 Ų69146.6 Ų146.671%0.71179%0.787SS**  cis116.397.53.700000112.3
271R48.3Very low45.5Very low238 Ų238144.7 Ų144.790%0.89878%0.782SS**  trans-159.1123.6166.2-151.1168.2173.4152.7-2.5112.6
272A43.3Very low45.9Very low97 Ų97143.2 Ų143.280%0.80278%0.779SS**  trans-118152.2164.700000108.6
273V56.7Low45.9Very low123 Ų123139 Ų13975%0.74578%0.777SS**  trans-137.6125179.2-173.40000109.2
274T43.3Very low46.5Very low132 Ų132141.3 Ų141.381%0.8179%0.788SS**  trans-130.9126.8174.3-59.70000108.9
275S49Very low46.4Very low103 Ų103140 Ų14072%0.7279%0.794SS**  trans-161.5108.9162.3-77.90000108.2
276Q48.6Very low47.1Very low173 Ų173140.4 Ų140.481%0.80880%0.799SS**  75.689.4102.5-71.3-167.425.800115.6
277Q40.4Very low47.5Very low170 Ų170141.8 Ų141.879%0.79480%0.8SS**  50.6115.1109.9-158.9169.334.500119.4
278L45.6Very low47.8Very low171 Ų171139.7 Ų139.790%0.89580%0.801SS**  trans-155.8116.8148.5-108.3157.4000109.1
279L39Very low47.5Very low142 Ų142136.7 Ų136.774%0.74381%0.807SS**  trans-105.8155.4163.4-79.788.5000108.6
280L48.4Very low47.6Very low167 Ų167132.8 Ų132.887%0.87481%0.807SS**  trans143.5117.5149.8-79.4154.2000109.3
281N48.7Very low47.8Very low142 Ų142138.9 Ų138.976%0.75982%0.817SS**  -177.2137.9104.7-159.218.5000113.2
282N51.3Low47.7Very low132 Ų132132 Ų13271%0.70681%0.811SS**  trans-11.1141.8166.3-58-9.4000121.2
283G41.7Very low47.8Very low67 Ų67134.9 Ų134.969%0.69181%0.808SS**  trans-92.5-170.3149.500000111.8
284H54.4Low47.4Very low191 Ų191136.1 Ų136.188%0.88481%0.807SS**  trans-169.8146.7149.5-103.777.6000109.2
285S45.3Very low47.8Very low112 Ų112137 Ų13778%0.78381%0.807SS**  trans-123.9146.2-177.8-52.10000110.3
286M57.4Low48.3Very low184 Ų184137.6 Ų137.691%0.90681%0.808SS**  trans-175.4141.9146.9-89.5-41.1-101.600110.6
287P57Low48.4Very low122 Ų122137.9 Ų137.979%0.79281%0.809SS**  trans-112.1158.9168.238.3-29.4000113.6
288G51.3Low49.8Very low83 Ų83135.7 Ų135.786%0.85681%0.809SS**  trans-165.7143.1172.700000110.7
289G40.6Very low50.6Low90 Ų90133.5 Ų133.593%0.92881%0.806SS**  trans-105.6-179.7-165.200000116.7
290G49.7Very low50.9Low81 Ų81131.6 Ų131.684%0.83581%0.811SS**  trans176.6138.5173.600000111.6
291Q44.7Very low51.2Low196 Ų196128.7 Ų128.792%0.91681%0.81SS**  trans-112.4167.7-179.6-83176.1-38.400111.7
292A44.2Very low51.1Low94 Ų94126.4 Ų126.478%0.77781%0.811SS**  trans72.7150.1166.800000116.9
293Q45.6Very low50.7Low158 Ų158124.8 Ų124.874%0.73882%0.816SS**  cis-172.4145.5-13167.6172.414.600110.6
294M49Very low51Low149 Ų149126.9 Ų126.973%0.73482%0.82SS**  trans59.6120.3163.7-71.3-173.7-56.600122.6
295D52.2Low50.5Low151 Ų151124.1 Ų124.181%0.80782%0.817SS**  31.1162.5123.7-68.2-37.2000123.8
296P58.1Low50.9Low114 Ų114124.8 Ų124.874%0.7482%0.821SS**  cis-137.1-172.5-16.330.7-6.9000116
297H52.4Low50.5Low180 Ų180121.3 Ų121.383%0.83382%0.815SS**  trans-52160.4165.9-64.9-79.9000114.7
298P68.2Low49.9Very low123 Ų123120.2 Ų120.280%0.79982%0.817SS**  -145.6-146.861.438.7-14000111.9
299P63.5Low49.6Very low126 Ų126121.4 Ų121.482%0.81882%0.818SS**  cis-134.6-151.8-8.343.3-22.6000114.8
300A44.4Very low49.7Very low102 Ų102122.3 Ų122.384%0.84382%0.817SS**  trans-140.7160.3175.600000112.7
301A55.8Low49.8Very low105 Ų105122.3 Ų122.387%0.86882%0.817SS**  trans-167.1173.117300000110.8
302A46.4Very low49.7Very low95 Ų95120.5 Ų120.579%0.78581%0.814SS**  cis-167137.9-49.800000109.3
303A41.7Very low50.4Low97 Ų97122.9 Ų122.980%0.80281%0.813SS**  trans24.8133.3161.900000123.4
304S48.5Very low50.2Low112 Ų112124.8 Ų124.878%0.78382%0.819SS**  173.8129.8107.745.40000116.7
305T44.1Very low50.4Low133 Ų133128.9 Ų128.982%0.81683%0.827SS**  trans27130.2145.257.70000123.9
306S54.2Low50Low125 Ų125130.8 Ų130.887%0.87483%0.828SS**  -176170.4119.243.20000114.5
307S49.7Very low49.7Very low111 Ų111137.6 Ų137.678%0.77684%0.839SS**  trans-71.1148.7-156.449.90000121.5
308A42.5Very low49.2Very low100 Ų100133.6 Ų133.683%0.82683%0.831SS**  trans-4.5141143.700000122.1
309A45.5Very low48.6Very low107 Ų107133.3 Ų133.388%0.88483%0.832SS**  -174.2157124.800000111.7
310A44.1Very low48.1Very low110 Ų110132.7 Ų132.791%0.90983%0.826SS**  trans-93.4155.9-17500000114.1
311G49.9Very low48.2Very low81 Ų81133.6 Ų133.684%0.83582%0.821SS**  trans-162.497.5174.900000113.1
312N43.2Very low48Very low157 Ų157133.7 Ų133.784%0.8481%0.811SS**  trans-86.6139-179.2-156.35000110.4
313N58.6Low48.3Very low144 Ų144136.3 Ų136.377%0.7781%0.812SS**  trans-151.7120.9166.9-117.5-40000113.8
314K42.8Very low48.5Very low198 Ų198136.2 Ų136.286%0.86181%0.811SS**  trans-118.6118.2-175.2-177.8179-172.6173.30107.8
315R53.3Low48.5Very low235 Ų235135 Ų13589%0.88782%0.816SS**  trans-125.5130.3172-71.4-170-176.3177.62.8111.7
316K44Very low48.4Very low191 Ų191133 Ų13383%0.8381%0.813SS**  trans-109140.1-176.4-164.8-176.1-173.5-172.10106.8
317R50.3Low48.2Very low257 Ų257135 Ų13597%0.9781%0.813SS**  trans-131.4139.2162.2-107.9-174.6174.7-176.3-2108.7
318S41.4Very low48.2Very low97 Ų97134.8 Ų134.868%0.67881%0.811SS**  trans-153.3132.5-172.150.70000108.9
319S55.8Low48.5Very low117 Ų117134.6 Ų134.682%0.81880%0.804SS**  trans-166.6149.6159.351.90000110.4
320T53.9Low48.6Very low112 Ų112134 Ų13469%0.68779%0.794SS**  cis178135.7-25.4-63.80000103
321T46.7Very low48.7Very low122 Ų122137.8 Ų137.875%0.74879%0.792SS**  trans61.6153160.747.40000119.4
322T52.3Low48.4Very low106 Ų106138.4 Ų138.465%0.6579%0.79SS**  cis-156.8154.47.9-1.90000109.9
323D51.7Low48.4Very low150 Ų150136.8 Ų136.880%0.80279%0.791SS**  trans42.7161.8145.3-60.5-22.1000122.9
324A45.7Very low47.6Very low96 Ų96137.3 Ų137.379%0.79379%0.789SS**  cis-176.7142.1-34.300000105.8
325G48.6Very low47.5Very low85 Ų85132.6 Ų132.688%0.87679%0.787SS**  trans152123.2174.200000114.1
326A42.4Very low47.3Very low92 Ų92129.7 Ų129.776%0.7678%0.781SS**  trans-101.8155.7-177.300000112.1
327L50.4Low47.5Very low168 Ų168129.5 Ų129.588%0.8878%0.78SS**  172.1157.6117.5-88162.1000112.2
328S48.4Very low47.2Very low105 Ų105123.3 Ų123.373%0.73477%0.773SS**  trans-26.8158.2173.163.30000118.8
329S49Very low47.4Very low96 Ų96126.6 Ų126.667%0.67178%0.783SS**  cis-167.8141.334.154.50000115.3
330S47.2Very low46.7Very low96 Ų96124.5 Ų124.567%0.67178%0.78SS**  trans52144.5136.969.70000124.7
331Q46.2Very low46.4Very low188 Ų188124.1 Ų124.188%0.87978%0.782SS**  trans80.8139.4164.5-52.6-169.436.800117.3
332A44.4Very low46.3Very low94 Ų94123.8 Ų123.878%0.77778%0.783SS**  cis-178140.7-22.400000105
333S43.5Very low45.9Very low124 Ų124128.2 Ų128.287%0.86779%0.794SS**  trans-88.7136.9-177.154.30000113
334E40.5Very low45.4Very low154 Ų154124.3 Ų124.372%0.7279%0.788SS**  trans-146129.8143.2-159.6170.3158.800111.8K336E334-K336 WeakPolarHBondContact OE1-CD 3.26Å; E334-K336 IonicContact OE1-NZ 2.83Å; E334-K336 PolarHBondContact OE1-NZ 3.07Å
335A42.2Very low45.3Very low100 Ų100124 Ų12483%0.82679%0.786SS**  trans-108.6125.9173.900000109.6
336K48.1Very low45.1Very low173 Ų173126 Ų12675%0.75278%0.781SS**  trans-139.9110175.2-136130.4-173.51750113.7E334E334-K336 WeakPolarHBondContact OE1-CD 3.26Å; E334-K336 IonicContact OE1-NZ 2.83Å; E334-K336 PolarHBondContact OE1-NZ 3.07Å
337K48.3Very low45.3Very low188 Ų188130.7 Ų130.782%0.81779%0.785SS**  trans0.9131.5157.7-59174.8179179.20118
338P44.1Very low44.9Very low127 Ų127131.4 Ų131.483%0.82578%0.784SS**  trans-79.3136.9160.733.9-31.4000110.8
339N45.1Very low44.8Very low166 Ų166133.7 Ų133.789%0.88879%0.786SS**  trans-164.6150.8165.3-100.8-18.5000110
340G42Very low44.4Very low73 Ų73132.8 Ų132.875%0.75379%0.792SS**  trans117.566.9-176.600000112
341S47.3Very low44.2Very low104 Ų104135.3 Ų135.373%0.72780%0.798SS**  73.611491.6-168.50000113.3
342C45.3Very low44.2Very low115 Ų115130.1 Ų130.178%0.77780%0.795SS**  trans-79.5144.9168.857.50000110.6
343F44.3Very low44.3Very low199 Ų199134 Ų13487%0.87380%0.801SS**  trans-111.9114.5154.5-90.4-87.1000108.5
344G40Very low44.3Very low67 Ų67137.7 Ų137.769%0.69181%0.805SS**  trans-79.5141.2172.700000110.5T346G344-T346 PolarHBondContact O-N 3.46Å
345A43.4Very low44.3Very low91 Ų91133.9 Ų133.975%0.75281%0.808SS**  trans-88.597.2165.200000108.5F347A345-F347 PolarHBondContact O-N 3.03Å
346T45.3Very low44.5Very low125 Ų125134.8 Ų134.877%0.76781%0.807SS**  trans-69.8118.1167-660000108.7G344 Q348G344-T346 PolarHBondContact O-N 3.46Å; T346-Q348 HydrophobicContact CG2-CG 4.16Å
347F45.2Very low44.6Very low192 Ų192131.3 Ų131.384%0.84281%0.805SS**  trans-89.8114.9158.8-87.8-90.3000108.2A345A345-F347 PolarHBondContact O-N 3.03Å
348Q43.4Very low44.6Very low182 Ų182130.7 Ų130.785%0.8581%0.81SS**  trans-76.2129.8168.7-67.9-168.1-61.400109.5T346T346-Q348 HydrophobicContact CG2-CG 4.16Å
349I46Very low44.8Very low154 Ų154128.1 Ų128.179%0.7981%0.806SS**  trans-94.4104.9163-61.6175.8000106.1N351I349-N351 PolarHBondContact O-N 3.26Å
350G41.4Very low45Very low76 Ų76129.4 Ų129.478%0.78481%0.807SS**  trans-83.4101.8175.800000111
351N42.8Very low45.8Very low150 Ų150135.5 Ų135.580%0.80282%0.815SS**  trans-83.3110.6164.6-79.92.9000109.2I349I349-N351 PolarHBondContact O-N 3.26Å
352G46Very low45.9Very low79 Ų79137.6 Ų137.681%0.81481%0.813SS**  trans-108.5114.5171.100000110.9
353L45.2Very low46.1Very low174 Ų174139.2 Ų139.291%0.91181%0.811SS**  trans-88.2123.8178.2-78.5160.8000111.6
354Q44.2Very low46.4Very low202 Ų202134.6 Ų134.694%0.94480%0.801SS**  trans-153.3143.5151-92.7175.920.300106.8
355G41.4Very low46.6Very low75 Ų75138.4 Ų138.477%0.77381%0.805SS**  cis154.636.82.200000114.1
356S46.2Very low47.1Very low118 Ų118143.6 Ų143.683%0.82581%0.813SS**  trans-160.1150.217450.60000109.9
357S49Very low47.5Very low100 Ų100143.1 Ų143.170%0.69982%0.815SS**  cis155132.4-19.9174.40000104.8
358L48.7Very low48.2Very low175 Ų175141.6 Ų141.692%0.91682%0.815SS**  trans78.6127.8170.4-62.8151.2000119.4
359G48Very low48.8Very low73 Ų73141.7 Ų141.775%0.75382%0.818SS**  trans114.369.2147.400000117.8
360H49.6Very low49.1Very low193 Ų193137.5 Ų137.589%0.89481%0.813SS**  trans-122.8117.2157.2-10254.6000109.6
361H59.5Low49.9Very low201 Ų201140.3 Ų140.393%0.93182%0.815SS**  trans-110.1145.4159.9-96.5-78.9000109.4
362H48.8Very low50.5Low148 Ų148141.8 Ų141.869%0.68582%0.819SS**  trans-117.6110.2-154.4167.6-78.3000112
363M49.4Very low51.1Low149 Ų149149.4 Ų149.473%0.73484%0.841SS**  trans65.7175.6144.5-59.4-158.9-170.700119.4
364P50.2Low51.4Low102 Ų102148.2 Ų148.266%0.66284%0.838SS**  cis-128.5167.5-29.819.42.3000114.7
365L45.4Very low51.8Low148 Ų148145.3 Ų145.378%0.77583%0.832SS**  trans29.5120.5140.9-58.6166.6000119.6
366H53.3Low52.4Low200 Ų200149.2 Ų149.293%0.92684%0.835SS**  -147.3129.3127-92.590.8000109.2
367S53.3Low52.7Low114 Ų114151.1 Ų151.180%0.79784%0.836SS**  trans-96.6135.7170.4-59.60000109.3
368N60.4Low53Low160 Ų160154.3 Ų154.386%0.85684%0.844SS**  trans-148.4106.9160.5-155.319.7000110.9
369M57.2Low53.3Low185 Ų185152.9 Ų152.991%0.91184%0.84SS**  trans-83.3133.8150.6-58176.6-176.200104.8
370G51.9Low53.6Low66 Ų66158.6 Ų158.668%0.6885%0.846SS**  cis109.681.638.400000108.4
371T58.1Low54Low134 Ų134155.9 Ų155.982%0.82284%0.842SS**  trans-149.1115.8171.944.90000111.5
372M55.1Low53.5Low182 Ų182152.2 Ų152.290%0.89784%0.835SS**  trans21.4115.8143.1-61.417117400119.1
373N58.8Low53.9Low238 Ų238152.5 Ų152.5100%1.27385%0.848SS**  -156.70101.5-125.516.8000110.7

Retrieved 373 of 373 residues in 93.6 ms (Link to these results)

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