A0A061AJ76_CAEEL Loading...

Alpha/beta hydrolase fold-3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AJ76, Species CAEEL (Caenorhabditis elegans), Gene afmd-2, Length 217 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
1M64.8Low90.6Very high110 Ų11076.9 Ų76.954%0.54240%0.401SS..  0-18.90-74.7-175.4132.500113.4R3 Y51 D52 Y53M1-R3 PolarHBondContact O-N 3.22Å; M1-Y51 WeakPolarHBondContact CB-O 3.43Å; M1-D52 WeakPolarHBondContact CA-OD1 3.5Å; M1-D52 VanDerWaalsContact CB-OD1 3.28Å; M1-D52 WeakPolarHBondContact CB-OD1 3.04Å; M1-D52 PolarHBondContact N-OD1 3.01Å; M1-Y53 HydrophobicContact CE-CE2 3.81Å; M1-Y53 WeakPolarHBondContact CE-OH 3.39Å; M1-Y53 HydrophobicContact SD-CD1 4.43Å; M1-Y53 HydrophobicContact SD-CD2 3.91Å; M1-Y53 HydrophobicContact SD-CE1 3.86Å; M1-Y53 HydrophobicContact SD-CE2 3.27Å; M1-Y53 WeakPolarHBondContact SD-CE2 3.31Å; M1-Y53 HydrophobicContact SD-CG 4.44Å; M1-Y53 PolarHBondContact SD-OH 2.83Å; M1-Y53 VanDerWaalsContact SD-OH 3.36Å
2T77.1Confident90.9Very high54 Ų5471.5 Ų71.533%0.33138%0.376SS..  trans-58.888.1170.7-40.30000113D52 E66T2-D52 PolarHBondContact N-OD1 2.86Å; T2-D52 PolarHBondContact OG1-OD1 3.5Å; T2-E66 HydrophobicContact CG2-CB 4.49Å
3R90.2Very high91.3Very high175 Ų17574 Ų7466%0.6638%0.384SS*.  trans-144.8157.8175-66.6-171.5-176.6-172.72.4108M1 R29 G50M1-R3 PolarHBondContact O-N 3.22Å; R3-R29 WeakPolarHBondContact O-CD 3.32Å; R3-G50 PolarHBondContact O-N 3.5Å
4I94.8Very high91.9Very high32 Ų3273.1 Ų73.116%0.16438%0.376CS..EExtended strand (participates in β ladder)trans-108.9145.1168.268.5168.2000110.4I6 V47 S48 V49 F73 K77I4-I6 HydrophobicContact CD1-CD1 4.06Å; I4-I6 HydrophobicContact CD1-CG1 4.27Å; I4-V47 HydrophobicContact CB-CG1 3.95Å; I4-V47 HydrophobicContact CD1-CG1 3.99Å; I4-V47 HydrophobicContact CG2-CG1 4.28Å; I4-S48 VanDerWaalsContact CA-O 3.25Å; I4-S48 WeakPolarHBondContact CA-O 3.36Å; I4-V49 HydrophobicContact CG2-CG2 3.93Å; I4-F73 HydrophobicContact CD1-CD1 3.74Å; I4-F73 HydrophobicContact CD1-CE1 3.61Å; I4-F73 HydrophobicContact CG1-CD1 4.18Å; I4-F73 HydrophobicContact CG1-CE1 3.96Å; I4-F73 HydrophobicContact CG2-CD1 4.33Å; I4-K77 HydrophobicContact CD1-CD 3.86Å
5D96.2Very high92.3Very high33 Ų3368.3 Ų68.318%0.17635%0.351CS..EExtended strand (participates in β ladder)trans-114.9148.3165-73-13.8000108.3W7 R29 V47 S48D5-W7 VanDerWaalsContact C-CZ3 3.47Å; D5-W7 HydrophobicContact CB-CE3 4.26Å; D5-W7 HydrophobicContact CB-CH2 3.17Å; D5-W7 HydrophobicContact CB-CZ2 4.05Å; D5-W7 HydrophobicContact CB-CZ3 3.3Å; D5-W7 WeakPolarHBondContact O-CZ3 3.05Å; D5-R29 HydrophobicContact CB-CG 4.47Å; D5-R29 IonicContact OD1-CZ 2.74Å; D5-R29 IonicContact OD1-NE 2.73Å; D5-R29 PolarHBondContact OD1-NE 3.49Å; D5-R29 IonicContact OD1-NH2 2.9Å; D5-R29 PolarHBondContact OD1-NH2 3.14Å; D5-R29 WeakPolarHBondContact OD2-CD 3.36Å; D5-R29 WeakPolarHBondContact OD2-CG 3.36Å; D5-R29 IonicContact OD2-CZ 2.67Å; D5-R29 IonicContact OD2-NE 3.04Å; D5-R29 PolarHBondContact OD2-NE 3.13Å; D5-R29 IonicContact OD2-NH2 2.68Å; D5-V47 CarbonylContact O-C 3.56Å; D5-V47 WeakPolarHBondContact O-CA 3.01Å; D5-S48 PolarHBondContact N-O 3.3Å; D5-S48 PolarHBondContact O-N 2.91Å
6I96.9Very high92.7Very high48 Ų4864.1 Ų64.125%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-127.5131.2-172-59.6173.5000109.8I4 E10 T45 V46 V47 K77 F78I4-I6 HydrophobicContact CD1-CD1 4.06Å; I4-I6 HydrophobicContact CD1-CG1 4.27Å; I6-E10 HydrophobicContact CD1-CG 4.28Å; I6-T45 HydrophobicContact CG2-CG2 3.54Å; I6-V46 WeakPolarHBondContact CA-O 3.35Å; I6-V47 HydrophobicContact CG1-CG1 4.49Å; I6-V47 HydrophobicContact CG1-CG2 4.41Å; I6-K77 HydrophobicContact CD1-CD 3.93Å; I6-F78 HydrophobicContact CD1-CE2 3.92Å; I6-F78 HydrophobicContact CD1-CZ 3.94Å; I6-F78 HydrophobicContact CG1-CE2 4.38Å; I6-F78 HydrophobicContact CG1-CZ 4.32Å; I6-F78 HydrophobicContact CG2-CZ 3.88Å
7W97.3Very high93.1Very high66 Ų6660.4 Ų60.425%0.2531%0.31CS..EExtended strand (participates in β ladder)trans-121.497.3174.5-67.8-99.4000109.8D5 L33 V36 Q40 V46D5-W7 VanDerWaalsContact C-CZ3 3.47Å; D5-W7 HydrophobicContact CB-CE3 4.26Å; D5-W7 HydrophobicContact CB-CH2 3.17Å; D5-W7 HydrophobicContact CB-CZ2 4.05Å; D5-W7 HydrophobicContact CB-CZ3 3.3Å; D5-W7 WeakPolarHBondContact O-CZ3 3.05Å; W7-L33 HydrophobicContact CD2-CD2 4.24Å; W7-L33 HydrophobicContact CE3-CD2 4.16Å; W7-L33 HydrophobicContact CH2-CD1 4.26Å; W7-L33 HydrophobicContact CH2-CD2 3.35Å; W7-L33 HydrophobicContact CH2-CG 4.43Å; W7-L33 HydrophobicContact CZ2-CD1 3.62Å; W7-L33 HydrophobicContact CZ2-CD2 3.45Å; W7-L33 VanDerWaalsContact CZ2-CD2 3.45Å; W7-L33 HydrophobicContact CZ2-CG 4.2Å; W7-L33 HydrophobicContact CZ3-CD2 3.73Å; W7-V36 HydrophobicContact CB-CG1 3.94Å; W7-V36 HydrophobicContact CG-CG1 4.24Å; W7-V36 HydrophobicContact CG-CG2 4.37Å; W7-Q40 PolarHBondContact O-NE2 3.5Å; W7-Q40 VanDerWaalsContact O-NE2 3.16Å; W7-V46 HydrophobicContact CB-CB 4.4Å; W7-V46 PolarHBondContact N-O 3.12Å; W7-V46 PolarHBondContact O-N 2.63Å
8G96.3Very high93.3Very high35 Ų3557 Ų5736%0.36129%0.293SS..SBendtrans128.4176.5-177.200000112
9P95.7Very high93.6Very high78 Ų7854.1 Ų54.151%0.50628%0.278SS..  trans-69.9138.4-179.426.8-32000112T11 A12 T45P9-T11 PolarHBondContact O-N 3.11Å; P9-A12 HydrophobicContact CG-CB 4.31Å; P9-A12 WeakPolarHBondContact O-CB 3.37Å; P9-A12 PolarHBondContact O-N 3.13Å; P9-T45 VanDerWaalsContact CD-OG1 3.32Å; P9-T45 WeakPolarHBondContact CD-OG1 3.35Å; P9-T45 PolarHBondContact O-OG1 3.19Å
10E93.1Very high93.7Very high102 Ų10251.5 Ų51.548%0.47726%0.264SS..THydrogen-bonded Turntrans-67.8-12.7174.1-64.1-165.4-172.400113.4I6 A12 K77 F78I6-E10 HydrophobicContact CD1-CG 4.28Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-K77 WeakPolarHBondContact OE1-CE 3.43Å; E10-K77 IonicContact OE1-NZ 2.74Å; E10-K77 PolarHBondContact OE1-NZ 3.48Å; E10-K77 VanDerWaalsContact OE2-CE 3.28Å; E10-K77 WeakPolarHBondContact OE2-CE 3.32Å; E10-K77 IonicContact OE2-NZ 3.99Å; E10-K77 PolarHBondContact OE2-NZ 2.63Å; E10-F78 HydrophobicContact CB-CE1 4.42Å; E10-F78 HydrophobicContact CG-CZ 4.49Å
11T94Very high93.8Very high113 Ų11349.5 Ų49.569%0.69326%0.257SS*.THydrogen-bonded Turntrans-89.24.4176.354.80000113.6P9P9-T11 PolarHBondContact O-N 3.11Å
12A94Very high95.2Very high12 Ų1245 Ų4510%0.09924%0.239CC..  trans-60.8140.8-17800000112.9P9 E10 T45P9-A12 HydrophobicContact CG-CB 4.31Å; P9-A12 WeakPolarHBondContact O-CB 3.37Å; P9-A12 PolarHBondContact O-N 3.13Å; E10-A12 VanDerWaalsContact C-N 3.34Å; A12-T45 WeakPolarHBondContact CB-OG1 3.31Å
13E97Very high95.9Very high104 Ų10446.2 Ų46.249%0.48624%0.238SC..SBendtrans-82.5-18.2174.7-58-162.4155.300112.7K82 K83E13-K82 HydrophobicContact CB-CD 4.42Å; E13-K82 HydrophobicContact CB-CG 4.46Å; E13-K82 PolarHBondContact O-N 3.44Å; E13-K82 WeakPolarHBondContact OE1-CE 3.28Å; E13-K82 IonicContact OE1-NZ 2.82Å; E13-K82 PolarHBondContact OE1-NZ 3.01Å; E13-K82 WeakPolarHBondContact OE2-CD 3.37Å; E13-K82 WeakPolarHBondContact OE2-CE 3.21Å; E13-K82 IonicContact OE2-NZ 3.47Å; E13-K82 PolarHBondContact OE2-NZ 3.18Å; E13-K83 PolarHBondContact O-N 2.88Å; E13-K83 VanDerWaalsContact O-N 3.11Å
14K98.6Very high96.2Very high62 Ų6237.9 Ų37.927%0.2721%0.207SC..EExtended strand (participates in β ladder)trans-117131.8175.2-58.8-162178.9-161.70110Y44 T45 K83 I217K14-Y44 HydrophobicContact CB-CD1 3.64Å; K14-Y44 HydrophobicContact CB-CD2 4.14Å; K14-Y44 HydrophobicContact CB-CE1 3.8Å; K14-Y44 HydrophobicContact CB-CE2 4.31Å; K14-Y44 HydrophobicContact CB-CG 3.81Å; K14-Y44 HydrophobicContact CD-CD2 4.12Å; K14-Y44 HydrophobicContact CD-CE1 4.26Å; K14-Y44 HydrophobicContact CD-CE2 3.66Å; K14-Y44 WeakPolarHBondContact O-CA 3.36Å; K14-T45 PolarHBondContact O-N 3.2Å; K14-K83 CarbonylContact C-O 3.59Å; K14-K83 WeakPolarHBondContact CA-O 3.36Å; K14-K83 HydrophobicContact CG-CB 4.25Å; K14-I217 PolarHBondContact NZ-OXT 2.91Å
15V98.8Very high96.1Very high1 Ų138.2 Ų38.21%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-131.6132.9-179.2179.80000110.6I17 T45 V47 F78 A81 K83 I84 V85V15-I17 HydrophobicContact CG1-CG1 4.02Å; V15-T45 CarbonylContact C-O 3.46Å; V15-T45 VanDerWaalsContact CA-O 3.31Å; V15-T45 WeakPolarHBondContact CA-O 3.31Å; V15-V47 HydrophobicContact CG1-CG2 3.71Å; V15-F78 HydrophobicContact CG1-CG 4.41Å; V15-F78 HydrophobicContact CG2-CB 3.94Å; V15-F78 HydrophobicContact CG2-CD1 3.45Å; V15-F78 VanDerWaalsContact CG2-CD1 3.45Å; V15-F78 HydrophobicContact CG2-CE1 4.05Å; V15-F78 HydrophobicContact CG2-CG 3.77Å; V15-A81 HydrophobicContact CB-CB 4.48Å; V15-A81 HydrophobicContact CG2-CB 3.7Å; V15-K83 PolarHBondContact N-O 2.79Å; V15-I84 HydrophobicContact CB-CG1 4.32Å; V15-I84 CarbonylContact O-C 3.51Å; V15-I84 VanDerWaalsContact O-CA 3.28Å; V15-I84 WeakPolarHBondContact O-CA 3.33Å; V15-V85 PolarHBondContact O-N 3.03Å
16F98.8Very high95.9Very high0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-113.1111.8172.8-174.7-84.2000108.9M18 V35 Y44 T45 V46 V47 V85 Y112 F210 L214F16-M18 HydrophobicContact CD1-CB 4.13Å; F16-M18 HydrophobicContact CE1-CB 3.82Å; F16-M18 HydrophobicContact CE1-CG 4.21Å; F16-M18 HydrophobicContact CE1-SD 3.71Å; F16-M18 HydrophobicContact CZ-SD 4.21Å; F16-V35 HydrophobicContact CD1-CG2 4.2Å; F16-V35 HydrophobicContact CE1-CB 4.18Å; F16-V35 HydrophobicContact CE1-CG1 4.28Å; F16-V35 HydrophobicContact CE1-CG2 3.89Å; F16-V35 HydrophobicContact CZ-CG1 4.47Å; F16-Y44 HydrophobicContact CB-CD1 3.99Å; F16-Y44 HydrophobicContact CB-CG 4.47Å; F16-T45 PolarHBondContact N-O 3.4Å; F16-V46 HydrophobicContact CB-CG2 4.27Å; F16-V46 HydrophobicContact CD1-CG1 4.4Å; F16-V46 CarbonylContact O-C 3.57Å; F16-V46 VanDerWaalsContact O-CA 3.31Å; F16-V46 WeakPolarHBondContact O-CA 3.48Å; F16-V47 PolarHBondContact O-N 3.28Å; F16-V85 CarbonylContact C-O 3.54Å; F16-V85 WeakPolarHBondContact CA-O 3.25Å; F16-V85 HydrophobicContact CD2-CB 3.65Å; F16-V85 HydrophobicContact CD2-CG1 3.51Å; F16-V85 HydrophobicContact CE2-CB 4.13Å; F16-V85 HydrophobicContact CE2-CG1 3.43Å; F16-V85 VanDerWaalsContact CE2-CG1 3.43Å; F16-Y112 AromaticContact CZ-CD1 3.97Å; F16-Y112 HydrophobicContact CZ-CD1 3.97Å; F16-Y112 HydrophobicContact CZ-CG 4.34Å; F16-F210 HydrophobicContact CD2-CZ 4.44Å; F16-F210 HydrophobicContact CE1-CZ 4.5Å; F16-F210 AromaticContact CE2-CE2 3.85Å; F16-F210 HydrophobicContact CE2-CE2 3.85Å; F16-F210 AromaticContact CE2-CZ 3.76Å; F16-F210 HydrophobicContact CE2-CZ 3.76Å; F16-F210 AromaticContact CZ-CE2 3.98Å; F16-F210 HydrophobicContact CZ-CE2 3.98Å; F16-F210 AromaticContact CZ-CZ 3.8Å; F16-F210 HydrophobicContact CZ-CZ 3.8Å; F16-L214 HydrophobicContact CD2-CD1 4.46Å; F16-L214 HydrophobicContact CD2-CD2 3.67Å; F16-L214 HydrophobicContact CE2-CD2 3.87Å
17I98.6Very high95.6Very high1 Ų140.6 Ų40.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-92.1117.7178.7-57178.7000108.1V15 V47 V49 V71 A74 L75 I84 V85 I86 G87V15-I17 HydrophobicContact CG1-CG1 4.02Å; I17-V47 CarbonylContact C-O 3.53Å; I17-V47 VanDerWaalsContact CA-O 3.29Å; I17-V47 WeakPolarHBondContact CA-O 3.39Å; I17-V47 HydrophobicContact CG1-CB 4.4Å; I17-V49 HydrophobicContact CG2-CG2 3.58Å; I17-V71 HydrophobicContact CD1-CG1 4.21Å; I17-V71 HydrophobicContact CG2-CG2 4.25Å; I17-A74 HydrophobicContact CD1-CB 3.94Å; I17-A74 HydrophobicContact CG1-CB 4.47Å; I17-L75 HydrophobicContact CD1-CD2 4.08Å; I17-L75 HydrophobicContact CD1-CG 4.46Å; I17-I84 HydrophobicContact CD1-CG2 3.83Å; I17-I84 HydrophobicContact CG1-CG2 4.14Å; I17-V85 PolarHBondContact N-O 3.03Å; I17-I86 HydrophobicContact CB-CG1 4.34Å; I17-I86 HydrophobicContact CD1-CG1 4.37Å; I17-I86 CarbonylContact O-C 3.53Å; I17-G87 PolarHBondContact O-N 3.34Å
18M98.1Very high95.2Very high0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-111.9128.9-178.4-170.659-176.300111.8F16 C32 V35 V47 S48 V49 G87 H89F16-M18 HydrophobicContact CD1-CB 4.13Å; F16-M18 HydrophobicContact CE1-CB 3.82Å; F16-M18 HydrophobicContact CE1-CG 4.21Å; F16-M18 HydrophobicContact CE1-SD 3.71Å; F16-M18 HydrophobicContact CZ-SD 4.21Å; M18-C32 HydrophobicContact CE-CB 3.74Å; M18-C32 HydrophobicContact CG-CB 3.96Å; M18-V35 HydrophobicContact CB-CG2 4.36Å; M18-V35 HydrophobicContact CE-CG1 4.5Å; M18-V35 HydrophobicContact CG-CG2 4.14Å; M18-V35 HydrophobicContact SD-CG1 4.4Å; M18-V47 PolarHBondContact N-O 2.73Å; M18-S48 VanDerWaalsContact O-CA 3.3Å; M18-S48 WeakPolarHBondContact O-CA 3.41Å; M18-S48 PolarHBondContact O-OG 2.57Å; M18-V49 PolarHBondContact O-N 3.33Å; M18-G87 CarbonylContact C-O 3.54Å; M18-G87 WeakPolarHBondContact CA-O 3.26Å; M18-H89 HydrophobicContact CE-CB 3.75Å
19I98.1Very high94.8Very high1 Ų140.4 Ų40.41%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-109.7129.3175.2-52168.8000109.2V49 Y51 V71 G87 G88 H89 G92 L95 A96I19-V49 HydrophobicContact CG1-CB 4.37Å; I19-Y51 HydrophobicContact CG2-CD1 3.96Å; I19-Y51 HydrophobicContact CG2-CE1 3.69Å; I19-V71 HydrophobicContact CD1-CG2 4.06Å; I19-G87 PolarHBondContact N-O 2.93Å; I19-G88 VanDerWaalsContact O-CA 3.24Å; I19-G88 WeakPolarHBondContact O-CA 3.3Å; I19-H89 PolarHBondContact O-N 3.29Å; I19-G92 WeakPolarHBondContact O-CA 3.48Å; I19-L95 HydrophobicContact CD1-CB 3.97Å; I19-L95 HydrophobicContact CG2-CB 3.9Å; I19-L95 HydrophobicContact CG2-CD1 3.68Å; I19-L95 HydrophobicContact CG2-CG 4.43Å; I19-A96 HydrophobicContact CD1-CB 4.33Å
20H96.5Very high94.4Very high2 Ų242.9 Ų42.91%0.00922%0.221CC..  trans-79.7161.4-175.471.681.6000113.1N28 R29 C32 Y51 G92H20-N28 PolarHBondContact CD2-O 2.8Å; H20-N28 PolarHBondContact CE1-N 2.84Å; H20-N28 WeakPolarHBondContact NE2-CA 3.3Å; H20-R29 PolarHBondContact CD2-N 3.45Å; H20-R29 VanDerWaalsContact CD2-N 3.31Å; H20-C32 HydrophobicContact CB-CB 4.28Å; H20-Y51 AromaticContact CE1-CE1 3.74Å; H20-Y51 AromaticContact CE1-CZ 3.51Å; H20-Y51 PolarHBondContact CE1-OH 2.88Å; H20-Y51 AromaticContact ND1-CZ 3.99Å; H20-Y51 PolarHBondContact ND1-OH 3.29Å; H20-Y51 AromaticContact NE2-CE1 3.74Å; H20-Y51 AromaticContact NE2-CZ 3.95Å; H20-Y51 PolarHBondContact O-OH 3.1Å; H20-Y51 VanDerWaalsContact O-OH 3.1Å; H20-G92 VanDerWaalsContact O-CA 3.22Å; H20-G92 WeakPolarHBondContact O-CA 3.25Å; H20-G92 PolarHBondContact O-N 3.31Å
21G95.1Very high93.8Very high10 Ų1044.9 Ų44.910%0.10323%0.228CC..  trans-86.5-164173.600000114.1H89G21-H89 VanDerWaalsContact CA-O 3.26Å; G21-H89 WeakPolarHBondContact CA-O 3.29Å; G21-H89 PolarHBondContact N-O 3.16Å
22G93.3Very high93.1Very high17 Ų1739.8 Ų39.818%0.17520%0.197CC..SBendtrans112.941.8175.500000115.1W24 L25 I26G22-W24 PolarHBondContact O-N 2.94Å; G22-L25 PolarHBondContact O-N 2.9Å; G22-I26 WeakPolarHBondContact O-CG1 3.46Å; G22-I26 PolarHBondContact O-N 2.66Å
23Y92.6Very high92.9Very high79 Ų7941.8 Ų41.831%0.3121%0.206SC..THydrogen-bonded Turntrans5324174-76.9-76000115.5L25 Y128 L132Y23-L25 WeakPolarHBondContact O-CG 3.44Å; Y23-L25 PolarHBondContact O-N 2.69Å; Y23-Y128 HydrophobicContact CD1-CD1 4.07Å; Y23-Y128 HydrophobicContact CD1-CG 4.16Å; Y23-Y128 HydrophobicContact CD2-CD1 4.27Å; Y23-Y128 HydrophobicContact CD2-CE1 4.04Å; Y23-Y128 HydrophobicContact CE1-CD1 4.27Å; Y23-Y128 HydrophobicContact CE1-CD2 4.24Å; Y23-Y128 HydrophobicContact CE1-CE1 4.49Å; Y23-Y128 HydrophobicContact CE1-CE2 4.46Å; Y23-Y128 HydrophobicContact CE1-CG 4.14Å; Y23-Y128 HydrophobicContact CE2-CD1 4.45Å; Y23-Y128 AromaticContact CE2-CE1 3.98Å; Y23-Y128 HydrophobicContact CE2-CE1 3.98Å; Y23-Y128 HydrophobicContact CG-CD1 4.06Å; Y23-Y128 HydrophobicContact CG-CE1 4.31Å; Y23-L132 WeakPolarHBondContact O-CD2 3.35Å
24W96.6Very high92.8Very high0 Ų037.7 Ų37.70%019%0.19CC..THydrogen-bonded Turntrans56.45.6-169.3-45.4-88.4000114.8G22 Y53 A54 L60 V91 H94 I117 I120 L123 L132G22-W24 PolarHBondContact O-N 2.94Å; W24-Y53 CarbonylContact O-C 3.56Å; W24-Y53 WeakPolarHBondContact O-CA 3.49Å; W24-Y53 VanDerWaalsContact O-CB 3.25Å; W24-Y53 WeakPolarHBondContact O-CB 3.28Å; W24-A54 HydrophobicContact CB-CB 4.13Å; W24-A54 PolarHBondContact O-N 2.98Å; W24-L60 HydrophobicContact CB-CD1 3.89Å; W24-L60 VanDerWaalsContact CD1-CD1 3.41Å; W24-L60 HydrophobicContact CD2-CD1 3.72Å; W24-L60 HydrophobicContact CD2-CD2 4.39Å; W24-L60 HydrophobicContact CE3-CD1 4.48Å; W24-L60 HydrophobicContact CG-CD1 3.41Å; W24-L60 VanDerWaalsContact CG-CD1 3.41Å; W24-V91 HydrophobicContact CD2-CB 3.91Å; W24-V91 HydrophobicContact CD2-CG1 3.71Å; W24-V91 HydrophobicContact CE3-CB 4.45Å; W24-V91 HydrophobicContact CE3-CG1 3.75Å; W24-V91 HydrophobicContact CG-CB 4.3Å; W24-V91 HydrophobicContact CG-CG1 4.49Å; W24-V91 HydrophobicContact CH2-CB 4.28Å; W24-V91 HydrophobicContact CH2-CG1 3.52Å; W24-V91 HydrophobicContact CZ2-CB 3.75Å; W24-V91 HydrophobicContact CZ2-CG1 3.52Å; W24-V91 HydrophobicContact CZ3-CG1 3.65Å; W24-H94 AromaticContact CE2-ND1 3.81Å; W24-H94 HydrophobicContact CZ2-CB 4.03Å; W24-H94 AromaticContact CZ2-CG 3.71Å; W24-H94 AromaticContact CZ2-ND1 3.63Å; W24-H94 AromaticContact NE1-ND1 3.42Å; W24-H94 PolarHBondContact NE1-ND1 3.32Å; W24-I117 HydrophobicContact CH2-CG2 3.69Å; W24-I117 HydrophobicContact CZ2-CG2 4.03Å; W24-I120 HydrophobicContact CH2-CG2 3.67Å; W24-I120 HydrophobicContact CZ2-CG2 4.36Å; W24-I120 HydrophobicContact CZ3-CG2 4.5Å; W24-L123 HydrophobicContact CH2-CD1 4.28Å; W24-L123 HydrophobicContact CZ3-CD1 3.83Å; W24-L132 HydrophobicContact CB-CD2 3.96Å; W24-L132 HydrophobicContact CE3-CD1 3.83Å; W24-L132 HydrophobicContact CE3-CD2 4.2Å; W24-L132 HydrophobicContact CZ3-CD1 4.15Å
25L93.3Very high92.7Very high38 Ų3834.8 Ų34.820%0.19918%0.178CC..THydrogen-bonded Turntrans-109-28.7-173.5-71.2170.1000112.8G22 Y23 Y53 A54 D131 L132G22-L25 PolarHBondContact O-N 2.9Å; Y23-L25 WeakPolarHBondContact O-CG 3.44Å; Y23-L25 PolarHBondContact O-N 2.69Å; L25-Y53 WeakPolarHBondContact O-CD2 3.25Å; L25-Y53 WeakPolarHBondContact O-CE2 3.26Å; L25-A54 WeakPolarHBondContact CD2-O 3.34Å; L25-D131 HydrophobicContact CD1-CB 3.91Å; L25-D131 HydrophobicContact CD2-CB 4.37Å; L25-L132 HydrophobicContact CD1-CD2 4.42Å; L25-L132 HydrophobicContact CD1-CG 4.28Å; L25-L132 HydrophobicContact CD2-CD2 3.88Å; L25-L132 HydrophobicContact CD2-CG 4.28Å; L25-L132 HydrophobicContact CG-CD2 3.82Å; L25-L132 HydrophobicContact CG-CG 4.2Å
26I92.3Very high92.6Very high108 Ų10835.4 Ų35.455%0.55418%0.181SC*.SBendtrans-144.1176.3-171.162.1169.3000111.4G22G22-I26 WeakPolarHBondContact O-CG1 3.46Å; G22-I26 PolarHBondContact O-N 2.66Å
27G89.3Confident92.4Very high24 Ų2439.6 Ų39.625%0.24720%0.201CC..  trans109.6-157.3175.300000112.1Y53G27-Y53 VanDerWaalsContact C-OH 3.3Å; G27-Y53 PolarHBondContact N-OH 3.31Å; G27-Y53 PolarHBondContact O-OH 3.04Å
28N89.9Confident92.4Very high49 Ų4939.5 Ų39.526%0.26220%0.2SC..  trans178.2169.7162.153.372.2000108.7H20 K30 K31H20-N28 PolarHBondContact CD2-O 2.8Å; H20-N28 PolarHBondContact CE1-N 2.84Å; H20-N28 WeakPolarHBondContact NE2-CA 3.3Å; N28-K30 PolarHBondContact O-N 2.83Å; N28-K30 WeakPolarHBondContact OD1-CA 3.16Å; N28-K30 VanDerWaalsContact OD1-CB 3.24Å; N28-K30 WeakPolarHBondContact OD1-CB 3.33Å; N28-K30 PolarHBondContact OD1-N 3.25Å; N28-K31 WeakPolarHBondContact O-CB 3.11Å; N28-K31 PolarHBondContact O-N 3.39Å
29R87.9Confident92.4Very high48 Ų4839.5 Ų39.518%0.18120%0.2CC..THydrogen-bonded Turntrans-54.5-7.8176.265.3-171-170.8-71.5-14.9116.5R3 D5 H20 S48R3-R29 WeakPolarHBondContact O-CD 3.32Å; D5-R29 HydrophobicContact CB-CG 4.47Å; D5-R29 IonicContact OD1-CZ 2.74Å; D5-R29 IonicContact OD1-NE 2.73Å; D5-R29 PolarHBondContact OD1-NE 3.49Å; D5-R29 IonicContact OD1-NH2 2.9Å; D5-R29 PolarHBondContact OD1-NH2 3.14Å; D5-R29 WeakPolarHBondContact OD2-CD 3.36Å; D5-R29 WeakPolarHBondContact OD2-CG 3.36Å; D5-R29 IonicContact OD2-CZ 2.67Å; D5-R29 IonicContact OD2-NE 3.04Å; D5-R29 PolarHBondContact OD2-NE 3.13Å; D5-R29 IonicContact OD2-NH2 2.68Å; H20-R29 PolarHBondContact CD2-N 3.45Å; H20-R29 VanDerWaalsContact CD2-N 3.31Å; R29-S48 WeakPolarHBondContact CA-OG 3.37Å; R29-S48 WeakPolarHBondContact CB-OG 3.41Å; R29-S48 WeakPolarHBondContact O-CB 3.36Å; R29-S48 PolarHBondContact O-OG 3.32Å
30K86.8Confident92.4Very high129 Ų12943.7 Ų43.756%0.56122%0.22SC*.THydrogen-bonded Turntrans-98.51.5173.2-53.9-178.9175.6-175.30113.7N28 L33N28-K30 PolarHBondContact O-N 2.83Å; N28-K30 WeakPolarHBondContact OD1-CA 3.16Å; N28-K30 VanDerWaalsContact OD1-CB 3.24Å; N28-K30 WeakPolarHBondContact OD1-CB 3.33Å; N28-K30 PolarHBondContact OD1-N 3.25Å; K30-L33 HydrophobicContact CB-CD1 4.22Å
31K80Confident92.4Very high144 Ų14448 Ų4863%0.62624%0.238SC*.SBendtrans-93.1-11.6-175-67.6-67-172.7175.50115N28N28-K31 WeakPolarHBondContact O-CB 3.11Å; N28-K31 PolarHBondContact O-N 3.39Å
32C80Confident92.5Very high6 Ų648.9 Ų48.94%0.04124%0.241CC..  trans-122.148.1177.6-69.80000111.8M18 H20M18-C32 HydrophobicContact CE-CB 3.74Å; M18-C32 HydrophobicContact CG-CB 3.96Å; H20-C32 HydrophobicContact CB-CB 4.28Å
33L90.4Very high92.7Very high54 Ų5450.4 Ų50.428%0.28326%0.256SS..  trans-89.1-1.5-178.7-58.7-178.5000114.2W7 K30 V35 V36W7-L33 HydrophobicContact CD2-CD2 4.24Å; W7-L33 HydrophobicContact CE3-CD2 4.16Å; W7-L33 HydrophobicContact CH2-CD1 4.26Å; W7-L33 HydrophobicContact CH2-CD2 3.35Å; W7-L33 HydrophobicContact CH2-CG 4.43Å; W7-L33 HydrophobicContact CZ2-CD1 3.62Å; W7-L33 HydrophobicContact CZ2-CD2 3.45Å; W7-L33 VanDerWaalsContact CZ2-CD2 3.45Å; W7-L33 HydrophobicContact CZ2-CG 4.2Å; W7-L33 HydrophobicContact CZ3-CD2 3.73Å; K30-L33 HydrophobicContact CB-CD1 4.22Å; L33-V35 PolarHBondContact O-N 2.65Å; L33-V35 VanDerWaalsContact O-N 3.17Å; L33-V36 HydrophobicContact CB-CG2 4.13Å; L33-V36 HydrophobicContact CD2-CG2 4.11Å; L33-V36 VanDerWaalsContact O-CB 3.28Å; L33-V36 WeakPolarHBondContact O-CB 3.49Å; L33-V36 VanDerWaalsContact O-CG2 3.26Å; L33-V36 WeakPolarHBondContact O-CG2 3.3Å; L33-V36 PolarHBondContact O-N 3.41Å
34A93.9Very high93Very high19 Ų1946.8 Ų46.816%0.15724%0.242CC..THydrogen-bonded Turntrans-59.7-27.4178.900000113.5V36 L196 L199 T200A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.96Å; A34-L196 HydrophobicContact CB-CB 4.33Å; A34-L196 WeakPolarHBondContact CB-O 3.43Å; A34-L199 HydrophobicContact CB-CB 4.14Å; A34-L199 HydrophobicContact CB-CD1 4.47Å; A34-T200 HydrophobicContact CB-CG2 3.87Å
35V96.3Very high93.1Very high1 Ų146.9 Ų46.91%0.00624%0.243CC..Hα-helixtrans-69.8-20176.2-61.60000113.5F16 M18 L33 H37 V38 A39 V46 Y112 L199 F210F16-V35 HydrophobicContact CD1-CG2 4.2Å; F16-V35 HydrophobicContact CE1-CB 4.18Å; F16-V35 HydrophobicContact CE1-CG1 4.28Å; F16-V35 HydrophobicContact CE1-CG2 3.89Å; F16-V35 HydrophobicContact CZ-CG1 4.47Å; M18-V35 HydrophobicContact CB-CG2 4.36Å; M18-V35 HydrophobicContact CE-CG1 4.5Å; M18-V35 HydrophobicContact CG-CG2 4.14Å; M18-V35 HydrophobicContact SD-CG1 4.4Å; L33-V35 PolarHBondContact O-N 2.65Å; L33-V35 VanDerWaalsContact O-N 3.17Å; V35-H37 PolarHBondContact O-N 3.49Å; V35-V38 PolarHBondContact O-N 3.49Å; V35-A39 VanDerWaalsContact O-CB 3.25Å; V35-A39 WeakPolarHBondContact O-CB 3.34Å; V35-A39 PolarHBondContact O-N 3.38Å; V35-V46 HydrophobicContact CG2-CG1 4.33Å; V35-Y112 HydrophobicContact CG1-CE1 4.43Å; V35-L199 HydrophobicContact CG1-CD1 3.92Å; V35-F210 HydrophobicContact CB-CE1 3.91Å; V35-F210 HydrophobicContact CB-CZ 3.89Å; V35-F210 HydrophobicContact CG1-CE1 4.02Å; V35-F210 HydrophobicContact CG1-CZ 3.79Å
36V97Very high93.4Very high14 Ų1445.1 Ų45.19%0.08523%0.233CC..Hα-helixtrans-62.1-47-167.6174.50000111.8W7 L33 A34 V38 A39 Q40 V46W7-V36 HydrophobicContact CB-CG1 3.94Å; W7-V36 HydrophobicContact CG-CG1 4.24Å; W7-V36 HydrophobicContact CG-CG2 4.37Å; L33-V36 HydrophobicContact CB-CG2 4.13Å; L33-V36 HydrophobicContact CD2-CG2 4.11Å; L33-V36 VanDerWaalsContact O-CB 3.28Å; L33-V36 WeakPolarHBondContact O-CB 3.49Å; L33-V36 VanDerWaalsContact O-CG2 3.26Å; L33-V36 WeakPolarHBondContact O-CG2 3.3Å; L33-V36 PolarHBondContact O-N 3.41Å; A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 PolarHBondContact O-N 2.96Å; V36-V38 PolarHBondContact O-N 3.46Å; V36-A39 PolarHBondContact O-N 3.02Å; V36-Q40 HydrophobicContact CG1-CG 4.11Å; V36-Q40 WeakPolarHBondContact O-CB 3.5Å; V36-Q40 VanDerWaalsContact O-CG 3.3Å; V36-Q40 WeakPolarHBondContact O-CG 3.29Å; V36-Q40 PolarHBondContact O-N 3.45Å; V36-V46 HydrophobicContact CG2-CB 4.12Å; V36-V46 HydrophobicContact CG2-CG1 3.97Å; V36-V46 HydrophobicContact CG2-CG2 4.27Å
37H95.8Very high93.6Very high87 Ų8740 Ų4040%0.40321%0.207SC..Hα-helixtrans-60.4-49.7-177.6-177.363.5000111.9V35 A39 Q40 K41 E202V35-H37 PolarHBondContact O-N 3.49Å; H37-A39 PolarHBondContact O-N 3.17Å; H37-Q40 PolarHBondContact O-N 2.9Å; H37-K41 WeakPolarHBondContact NE2-CE 3.18Å; H37-K41 PolarHBondContact O-N 3Å; H37-K41 VanDerWaalsContact O-N 3.13Å; H37-E202 IonicContact NE2-OE1 2.77Å; H37-E202 PolarHBondContact NE2-OE1 3.25Å; H37-E202 VanDerWaalsContact NE2-OE1 3.13Å
38V97.5Very high94Very high0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-62.8-45.8179.9-164.10000111.1V35 V36 K41 L42 L199 Y207 F210 F211V35-V38 PolarHBondContact O-N 3.49Å; V36-V38 PolarHBondContact O-N 3.46Å; V38-K41 PolarHBondContact O-N 3.43Å; V38-L42 PolarHBondContact O-N 2.99Å; V38-L199 WeakPolarHBondContact CG2-O 3.33Å; V38-Y207 HydrophobicContact CB-CE2 4.3Å; V38-Y207 HydrophobicContact CG1-CE2 4.24Å; V38-Y207 HydrophobicContact CG2-CD2 3.57Å; V38-Y207 HydrophobicContact CG2-CE2 3.47Å; V38-Y207 VanDerWaalsContact CG2-CE2 3.47Å; V38-Y207 HydrophobicContact CG2-CG 4.47Å; V38-F210 HydrophobicContact CB-CD1 3.79Å; V38-F210 HydrophobicContact CB-CE1 3.9Å; V38-F210 HydrophobicContact CG1-CD1 3.78Å; V38-F210 HydrophobicContact CG1-CE1 4.25Å; V38-F210 HydrophobicContact CG2-CD1 4.01Å; V38-F210 HydrophobicContact CG2-CE1 4.36Å; V38-F211 HydrophobicContact CG1-CB 3.76Å; V38-F211 HydrophobicContact CG1-CD2 3.86Å; V38-F211 HydrophobicContact CG1-CG 4.3Å
39A98Very high94.4Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-63.3-44.8-17900000111.6V35 V36 H37 K41 L42 G43 Y44 V46 L214V35-A39 VanDerWaalsContact O-CB 3.25Å; V35-A39 WeakPolarHBondContact O-CB 3.34Å; V35-A39 PolarHBondContact O-N 3.38Å; V36-A39 PolarHBondContact O-N 3.02Å; H37-A39 PolarHBondContact O-N 3.17Å; A39-K41 VanDerWaalsContact C-N 3.35Å; A39-K41 PolarHBondContact O-N 3.33Å; A39-L42 CarbonylContact O-C 3.59Å; A39-L42 WeakPolarHBondContact O-CA 3.46Å; A39-L42 PolarHBondContact O-N 3.04Å; A39-G43 PolarHBondContact O-N 3.16Å; A39-Y44 WeakPolarHBondContact O-CB 3.4Å; A39-Y44 PolarHBondContact O-N 3.01Å; A39-V46 HydrophobicContact CB-CG2 3.49Å; A39-V46 VanDerWaalsContact CB-CG2 3.49Å; A39-L214 HydrophobicContact CB-CD1 4.05Å
40Q97.1Very high94.7Very high88 Ų8834.3 Ų34.341%0.41118%0.175SC..Hα-helixtrans-66.1-35-179.8-75.3-173.5-31.300112.8W7 V36 H37 L42 G43W7-Q40 PolarHBondContact O-NE2 3.5Å; W7-Q40 VanDerWaalsContact O-NE2 3.16Å; V36-Q40 HydrophobicContact CG1-CG 4.11Å; V36-Q40 WeakPolarHBondContact O-CB 3.5Å; V36-Q40 VanDerWaalsContact O-CG 3.3Å; V36-Q40 WeakPolarHBondContact O-CG 3.29Å; V36-Q40 PolarHBondContact O-N 3.45Å; H37-Q40 PolarHBondContact O-N 2.9Å; Q40-L42 PolarHBondContact O-N 3.49Å; Q40-G43 PolarHBondContact O-N 3.4Å
41K97Very high95.1Very high93 Ų9328.2 Ų28.240%0.40415%0.149SC..Hα-helixtrans-57.9-27.9171.4-79.7-175.5171.5-1720113.3H37 V38 A39 E202 Y207H37-K41 WeakPolarHBondContact NE2-CE 3.18Å; H37-K41 PolarHBondContact O-N 3Å; H37-K41 VanDerWaalsContact O-N 3.13Å; V38-K41 PolarHBondContact O-N 3.43Å; A39-K41 VanDerWaalsContact C-N 3.35Å; A39-K41 PolarHBondContact O-N 3.33Å; K41-E202 IonicContact NZ-OE1 3.3Å; K41-E202 PolarHBondContact NZ-OE1 2.99Å; K41-E202 IonicContact NZ-OE2 3.29Å; K41-E202 PolarHBondContact NZ-OE2 2.69Å; K41-Y207 WeakPolarHBondContact CD-OH 3.44Å; K41-Y207 PolarHBondContact NZ-OH 2.96Å; K41-Y207 VanDerWaalsContact NZ-OH 3.11Å
42L97.9Very high95.8Very high28 Ų2823.8 Ų23.815%0.14713%0.132CC..THydrogen-bonded Turntrans-98.111.7179.4-66.9173.4000113V38 A39 Q40 Y44 F211 L214 Y215V38-L42 PolarHBondContact O-N 2.99Å; A39-L42 CarbonylContact O-C 3.59Å; A39-L42 WeakPolarHBondContact O-CA 3.46Å; A39-L42 PolarHBondContact O-N 3.04Å; Q40-L42 PolarHBondContact O-N 3.49Å; L42-Y44 VanDerWaalsContact C-N 3.33Å; L42-Y44 HydrophobicContact CB-CD2 3.76Å; L42-Y44 HydrophobicContact CB-CE2 3.93Å; L42-Y44 PolarHBondContact O-N 2.69Å; L42-F211 HydrophobicContact CD1-CD2 3.86Å; L42-F211 HydrophobicContact CD1-CE2 4.01Å; L42-F211 HydrophobicContact CD1-CG 4.25Å; L42-F211 WeakPolarHBondContact CD1-O 3.39Å; L42-F211 HydrophobicContact CD2-CD2 4.29Å; L42-F211 HydrophobicContact CD2-CE1 4.27Å; L42-F211 HydrophobicContact CD2-CE2 3.58Å; L42-F211 HydrophobicContact CD2-CZ 3.57Å; L42-F211 HydrophobicContact CG-CD2 4.07Å; L42-F211 HydrophobicContact CG-CE2 3.74Å; L42-F211 HydrophobicContact CG-CZ 4.24Å; L42-L214 HydrophobicContact CD1-CB 3.42Å; L42-L214 VanDerWaalsContact CD1-CB 3.42Å; L42-L214 HydrophobicContact CD1-CD1 4.39Å; L42-Y215 HydrophobicContact CD2-CD2 3.76Å; L42-Y215 HydrophobicContact CD2-CG 4.47Å
43G97.7Very high96.6Very high49 Ų4926 Ų2651%0.50514%0.14SC..THydrogen-bonded Turntrans77.114.5177.100000114.7A39 Q40A39-G43 PolarHBondContact O-N 3.16Å; Q40-G43 PolarHBondContact O-N 3.4Å
44Y98.6Very high96.8Very high4 Ų423.4 Ų23.42%0.01613%0.127CC..EExtended strand (participates in β ladder)trans-80.2135.4173.8-70.4-103.9000110.9K14 F16 A39 L42 V85 L214 I217K14-Y44 HydrophobicContact CB-CD1 3.64Å; K14-Y44 HydrophobicContact CB-CD2 4.14Å; K14-Y44 HydrophobicContact CB-CE1 3.8Å; K14-Y44 HydrophobicContact CB-CE2 4.31Å; K14-Y44 HydrophobicContact CB-CG 3.81Å; K14-Y44 HydrophobicContact CD-CD2 4.12Å; K14-Y44 HydrophobicContact CD-CE1 4.26Å; K14-Y44 HydrophobicContact CD-CE2 3.66Å; K14-Y44 WeakPolarHBondContact O-CA 3.36Å; F16-Y44 HydrophobicContact CB-CD1 3.99Å; F16-Y44 HydrophobicContact CB-CG 4.47Å; A39-Y44 WeakPolarHBondContact O-CB 3.4Å; A39-Y44 PolarHBondContact O-N 3.01Å; L42-Y44 VanDerWaalsContact C-N 3.33Å; L42-Y44 HydrophobicContact CB-CD2 3.76Å; L42-Y44 HydrophobicContact CB-CE2 3.93Å; L42-Y44 PolarHBondContact O-N 2.69Å; Y44-V85 HydrophobicContact CE1-CG2 3.95Å; Y44-L214 HydrophobicContact CE2-CB 4.13Å; Y44-L214 PolarHBondContact OH-O 3.36Å; Y44-I217 WeakPolarHBondContact OH-CB 3.47Å; Y44-I217 PolarHBondContact OH-OXT 2.74Å
45T98.5Very high96.9Very high1 Ų125.3 Ų25.31%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-80.6129.9155.9-74.60000109I6 P9 A12 K14 V15 F16 V47 F78I6-T45 HydrophobicContact CG2-CG2 3.54Å; P9-T45 VanDerWaalsContact CD-OG1 3.32Å; P9-T45 WeakPolarHBondContact CD-OG1 3.35Å; P9-T45 PolarHBondContact O-OG1 3.19Å; A12-T45 WeakPolarHBondContact CB-OG1 3.31Å; K14-T45 PolarHBondContact O-N 3.2Å; V15-T45 CarbonylContact C-O 3.46Å; V15-T45 VanDerWaalsContact CA-O 3.31Å; V15-T45 WeakPolarHBondContact CA-O 3.31Å; F16-T45 PolarHBondContact N-O 3.4Å; T45-V47 HydrophobicContact CG2-CG2 4.49Å; T45-F78 HydrophobicContact CG2-CE1 3.59Å; T45-F78 HydrophobicContact CG2-CZ 3.63Å
46V98.5Very high96.7Very high1 Ų131.3 Ų31.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-93.4131.4176.4179.40000110.3I6 W7 F16 V35 V36 A39I6-V46 WeakPolarHBondContact CA-O 3.35Å; W7-V46 HydrophobicContact CB-CB 4.4Å; W7-V46 PolarHBondContact N-O 3.12Å; W7-V46 PolarHBondContact O-N 2.63Å; F16-V46 HydrophobicContact CB-CG2 4.27Å; F16-V46 HydrophobicContact CD1-CG1 4.4Å; F16-V46 CarbonylContact O-C 3.57Å; F16-V46 VanDerWaalsContact O-CA 3.31Å; F16-V46 WeakPolarHBondContact O-CA 3.48Å; V35-V46 HydrophobicContact CG2-CG1 4.33Å; V36-V46 HydrophobicContact CG2-CB 4.12Å; V36-V46 HydrophobicContact CG2-CG1 3.97Å; V36-V46 HydrophobicContact CG2-CG2 4.27Å; A39-V46 HydrophobicContact CB-CG2 3.49Å; A39-V46 VanDerWaalsContact CB-CG2 3.49Å
47V98.1Very high96.5Very high0 Ų038.1 Ų38.10%020%0.196CC..EExtended strand (participates in β ladder)trans-117.4114.7175-1760000107.9I4 D5 I6 V15 F16 I17 M18 T45 V49 A74 F78I4-V47 HydrophobicContact CB-CG1 3.95Å; I4-V47 HydrophobicContact CD1-CG1 3.99Å; I4-V47 HydrophobicContact CG2-CG1 4.28Å; D5-V47 CarbonylContact O-C 3.56Å; D5-V47 WeakPolarHBondContact O-CA 3.01Å; I6-V47 HydrophobicContact CG1-CG1 4.49Å; I6-V47 HydrophobicContact CG1-CG2 4.41Å; V15-V47 HydrophobicContact CG1-CG2 3.71Å; F16-V47 PolarHBondContact O-N 3.28Å; I17-V47 CarbonylContact C-O 3.53Å; I17-V47 VanDerWaalsContact CA-O 3.29Å; I17-V47 WeakPolarHBondContact CA-O 3.39Å; I17-V47 HydrophobicContact CG1-CB 4.4Å; M18-V47 PolarHBondContact N-O 2.73Å; T45-V47 HydrophobicContact CG2-CG2 4.49Å; V47-V49 HydrophobicContact CG1-CG2 4.42Å; V47-A74 HydrophobicContact CG1-CB 3.89Å; V47-F78 HydrophobicContact CG2-CD2 3.99Å; V47-F78 HydrophobicContact CG2-CE2 3.28Å; V47-F78 HydrophobicContact CG2-CZ 3.6Å
48S97.7Very high96.5Very high1 Ų135 Ų351%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-94123.3172.3-169.60000110.8I4 D5 M18 R29I4-S48 VanDerWaalsContact CA-O 3.25Å; I4-S48 WeakPolarHBondContact CA-O 3.36Å; D5-S48 PolarHBondContact N-O 3.3Å; D5-S48 PolarHBondContact O-N 2.91Å; M18-S48 VanDerWaalsContact O-CA 3.3Å; M18-S48 WeakPolarHBondContact O-CA 3.41Å; M18-S48 PolarHBondContact O-OG 2.57Å; R29-S48 WeakPolarHBondContact CA-OG 3.37Å; R29-S48 WeakPolarHBondContact CB-OG 3.41Å; R29-S48 WeakPolarHBondContact O-CB 3.36Å; R29-S48 PolarHBondContact O-OG 3.32Å
49V97Very high96.5Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-98.1126-179.3176.10000109.4I4 I17 M18 I19 V47I4-V49 HydrophobicContact CG2-CG2 3.93Å; I17-V49 HydrophobicContact CG2-CG2 3.58Å; M18-V49 PolarHBondContact O-N 3.33Å; I19-V49 HydrophobicContact CG1-CB 4.37Å; V47-V49 HydrophobicContact CG1-CG2 4.42Å
50G94.6Very high96.5Very high2 Ų238 Ų382%0.02120%0.2CC..PPolyproline II helixtrans-97.1158.816800000112R3R3-G50 PolarHBondContact O-N 3.5Å
51Y95.5Very high96.6Very high0 Ų035.7 Ų35.70%019%0.193CC..  trans-138162.2177.750.5-94.6000109M1 I19 H20 Y53 T63 A67 L95M1-Y51 WeakPolarHBondContact CB-O 3.43Å; I19-Y51 HydrophobicContact CG2-CD1 3.96Å; I19-Y51 HydrophobicContact CG2-CE1 3.69Å; H20-Y51 AromaticContact CE1-CE1 3.74Å; H20-Y51 AromaticContact CE1-CZ 3.51Å; H20-Y51 PolarHBondContact CE1-OH 2.88Å; H20-Y51 AromaticContact ND1-CZ 3.99Å; H20-Y51 PolarHBondContact ND1-OH 3.29Å; H20-Y51 AromaticContact NE2-CE1 3.74Å; H20-Y51 AromaticContact NE2-CZ 3.95Å; H20-Y51 PolarHBondContact O-OH 3.1Å; H20-Y51 VanDerWaalsContact O-OH 3.1Å; Y51-Y53 HydrophobicContact CE2-CD1 4.26Å; Y51-T63 HydrophobicContact CD2-CG2 3.5Å; Y51-T63 VanDerWaalsContact CD2-CG2 3.5Å; Y51-T63 HydrophobicContact CE2-CG2 4.11Å; Y51-T63 HydrophobicContact CG-CG2 4.15Å; Y51-A67 HydrophobicContact CD1-CB 4.4Å; Y51-A67 HydrophobicContact CG-CB 4.47Å; Y51-L95 HydrophobicContact CD1-CD1 3.47Å; Y51-L95 VanDerWaalsContact CD1-CD1 3.47Å; Y51-L95 HydrophobicContact CD2-CD1 4.4Å; Y51-L95 HydrophobicContact CE1-CD1 3.29Å; Y51-L95 HydrophobicContact CE2-CD1 4.25Å; Y51-L95 HydrophobicContact CG-CD1 4.04Å
52D94.9Very high96.6Very high51 Ų5136.1 Ų36.127%0.27320%0.195SC..PPolyproline II helixtrans-83.7147.5173.6-65.7-9.2000110.5M1 T2 T63 E66M1-D52 WeakPolarHBondContact CA-OD1 3.5Å; M1-D52 VanDerWaalsContact CB-OD1 3.28Å; M1-D52 WeakPolarHBondContact CB-OD1 3.04Å; M1-D52 PolarHBondContact N-OD1 3.01Å; T2-D52 PolarHBondContact N-OD1 2.86Å; T2-D52 PolarHBondContact OG1-OD1 3.5Å; D52-T63 WeakPolarHBondContact O-CB 3.09Å; D52-T63 WeakPolarHBondContact O-CG2 3.37Å; D52-T63 PolarHBondContact O-OG1 3.45Å; D52-E66 WeakPolarHBondContact CB-OE2 3.31Å
53Y95.8Very high96.6Very high52 Ų5234.8 Ų34.820%0.20419%0.188CC..PPolyproline II helixtrans-75.7142.9-172.2-59.4-34.6000112.6M1 W24 L25 G27 Y51 N55 H58M1-Y53 HydrophobicContact CE-CE2 3.81Å; M1-Y53 WeakPolarHBondContact CE-OH 3.39Å; M1-Y53 HydrophobicContact SD-CD1 4.43Å; M1-Y53 HydrophobicContact SD-CD2 3.91Å; M1-Y53 HydrophobicContact SD-CE1 3.86Å; M1-Y53 HydrophobicContact SD-CE2 3.27Å; M1-Y53 WeakPolarHBondContact SD-CE2 3.31Å; M1-Y53 HydrophobicContact SD-CG 4.44Å; M1-Y53 PolarHBondContact SD-OH 2.83Å; M1-Y53 VanDerWaalsContact SD-OH 3.36Å; W24-Y53 CarbonylContact O-C 3.56Å; W24-Y53 WeakPolarHBondContact O-CA 3.49Å; W24-Y53 VanDerWaalsContact O-CB 3.25Å; W24-Y53 WeakPolarHBondContact O-CB 3.28Å; L25-Y53 WeakPolarHBondContact O-CD2 3.25Å; L25-Y53 WeakPolarHBondContact O-CE2 3.26Å; G27-Y53 VanDerWaalsContact C-OH 3.3Å; G27-Y53 PolarHBondContact N-OH 3.31Å; G27-Y53 PolarHBondContact O-OH 3.04Å; Y51-Y53 HydrophobicContact CE2-CD1 4.26Å; Y53-N55 PolarHBondContact O-ND2 2.84Å; Y53-H58 PolarHBondContact O-CD2 3.31Å
54A95.9Very high96.6Very high1 Ų132.6 Ų32.61%0.00816%0.164CC..PPolyproline II helixtrans-73.1144.1173.300000110.3W24 L25 H58 L60 T63 L132W24-A54 HydrophobicContact CB-CB 4.13Å; W24-A54 PolarHBondContact O-N 2.98Å; L25-A54 WeakPolarHBondContact CD2-O 3.34Å; A54-H58 CarbonylContact C-O 3.28Å; A54-H58 WeakPolarHBondContact CA-O 3.4Å; A54-L60 HydrophobicContact CB-CB 4.19Å; A54-L60 HydrophobicContact CB-CD1 4.13Å; A54-T63 PolarHBondContact N-OG1 3.16Å; A54-L132 HydrophobicContact CB-CD2 3.56Å
55N94.6Very high96.6Very high59 Ų5935.8 Ų35.832%0.31618%0.184SC..BIsolated β-bridgetrans-165.2-176.5172.459.774.3000108.3Y53 D57 H58 L132Y53-N55 PolarHBondContact O-ND2 2.84Å; N55-D57 PolarHBondContact O-N 3.43Å; N55-D57 VanDerWaalsContact O-N 3.12Å; N55-D57 WeakPolarHBondContact OD1-CA 3.49Å; N55-D57 WeakPolarHBondContact OD1-CB 3.24Å; N55-D57 PolarHBondContact OD1-N 3.03Å; N55-H58 PolarHBondContact N-O 3.3Å; N55-H58 CarbonylContact O-C 3.16Å; N55-H58 PolarHBondContact O-N 2.95Å; N55-H58 VanDerWaalsContact O-N 3.08Å; N55-H58 PolarHBondContact OD1-N 2.99Å; N55-H58 VanDerWaalsContact OD1-N 3.13Å; N55-L132 CarbonylContact C-O 3.56Å; N55-L132 VanDerWaalsContact C-O 3.28Å; N55-L132 WeakPolarHBondContact CA-O 3.3Å
56K92.2Very high96.5Very high127 Ų12736.8 Ų36.855%0.55219%0.189SC*.THydrogen-bonded Turntrans-57-28.8-178.9-64.3-178.6-179.7-178.10114.6H130K56-H130 WeakPolarHBondContact CE-O 3.42Å; K56-H130 PolarHBondContact NZ-CE1 2.94Å; K56-H130 VanDerWaalsContact NZ-CE1 3.34Å; K56-H130 PolarHBondContact NZ-NE2 3.06Å
57D94.2Very high96.4Very high156 Ų15636.9 Ų36.983%0.83419%0.19SC*.THydrogen-bonded Turntrans-99.4-12.3-179.9-57.1-45.2000112.9N55N55-D57 PolarHBondContact O-N 3.43Å; N55-D57 VanDerWaalsContact O-N 3.12Å; N55-D57 WeakPolarHBondContact OD1-CA 3.49Å; N55-D57 WeakPolarHBondContact OD1-CB 3.24Å; N55-D57 PolarHBondContact OD1-N 3.03Å
58H96.2Very high96.5Very high23 Ų2337.8 Ų37.811%0.10620%0.195CC..BIsolated β-bridgetrans-133.687.6178.6-165.2101.5000109.3Y53 A54 N55 K62 T63 E66Y53-H58 PolarHBondContact O-CD2 3.31Å; A54-H58 CarbonylContact C-O 3.28Å; A54-H58 WeakPolarHBondContact CA-O 3.4Å; N55-H58 PolarHBondContact N-O 3.3Å; N55-H58 CarbonylContact O-C 3.16Å; N55-H58 PolarHBondContact O-N 2.95Å; N55-H58 VanDerWaalsContact O-N 3.08Å; N55-H58 PolarHBondContact OD1-N 2.99Å; N55-H58 VanDerWaalsContact OD1-N 3.13Å; H58-K62 VanDerWaalsContact CE1-CD 3.43Å; H58-K62 WeakPolarHBondContact CE1-CD 3.34Å; H58-K62 WeakPolarHBondContact CE1-CE 3.37Å; H58-K62 PolarHBondContact CE1-NZ 2.95Å; H58-K62 VanDerWaalsContact CE1-NZ 3.28Å; H58-K62 PolarHBondContact ND1-NZ 3.12Å; H58-T63 PolarHBondContact CD2-OG1 2.87Å; H58-E66 IonicContact CE1-OE1 2.76Å; H58-E66 PolarHBondContact CE1-OE1 2.63Å; H58-E66 IonicContact CE1-OE2 3.38Å; H58-E66 PolarHBondContact CE1-OE2 2.76Å; H58-E66 IonicContact NE2-OE1 3.18Å; H58-E66 PolarHBondContact NE2-OE1 3.45Å; H58-E66 IonicContact NE2-OE2 2.63Å; H58-E66 PolarHBondContact NE2-OE2 3.29Å
59V97.1Very high96.5Very high62 Ų6243 Ų4338%0.37622%0.219SC..  trans-64.6155.7-172.9-61.40000112.7S61 K62 T63 E138V59-S61 VanDerWaalsContact C-N 3.29Å; V59-S61 WeakPolarHBondContact CG2-OG 3.12Å; V59-S61 PolarHBondContact O-N 3.35Å; V59-K62 HydrophobicContact CG2-CB 4.39Å; V59-K62 WeakPolarHBondContact O-CB 3.5Å; V59-K62 PolarHBondContact O-N 3.48Å; V59-T63 PolarHBondContact O-N 3.41Å; V59-E138 WeakPolarHBondContact CB-OE1 3.33Å
60L97.9Very high96.5Very high1 Ų143.3 Ų43.31%0.00522%0.221CC..Hα-helixtrans-59.5-35.9-172.7178.157.9000113.5W24 A54 K62 T63 I64 I120 L134 E138 C142W24-L60 HydrophobicContact CB-CD1 3.89Å; W24-L60 VanDerWaalsContact CD1-CD1 3.41Å; W24-L60 HydrophobicContact CD2-CD1 3.72Å; W24-L60 HydrophobicContact CD2-CD2 4.39Å; W24-L60 HydrophobicContact CE3-CD1 4.48Å; W24-L60 HydrophobicContact CG-CD1 3.41Å; W24-L60 VanDerWaalsContact CG-CD1 3.41Å; A54-L60 HydrophobicContact CB-CB 4.19Å; A54-L60 HydrophobicContact CB-CD1 4.13Å; L60-K62 PolarHBondContact O-N 2.68Å; L60-T63 HydrophobicContact CD1-CG2 4.39Å; L60-T63 WeakPolarHBondContact O-CB 3.25Å; L60-T63 PolarHBondContact O-N 3.1Å; L60-T63 VanDerWaalsContact O-N 3.11Å; L60-I64 HydrophobicContact CD1-CG1 4.46Å; L60-I64 HydrophobicContact CG-CD1 4.29Å; L60-I64 HydrophobicContact CG-CG1 4.5Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.06Å; L60-I120 HydrophobicContact CD2-CD1 3.43Å; L60-I120 VanDerWaalsContact CD2-CD1 3.43Å; L60-L134 HydrophobicContact CD2-CD1 4.04Å; L60-E138 HydrophobicContact CB-CG 4.32Å; L60-E138 PolarHBondContact N-OE1 2.7Å; L60-C142 HydrophobicContact CD2-CB 3.76Å; L60-C142 HydrophobicContact CG-CB 4.08Å
61S98.1Very high96.7Very high38 Ų3843.2 Ų43.227%0.26622%0.22SC..Hα-helixtrans-58.5-36.6176.253.70000111.8V59 I64 V65 E138 C142V59-S61 VanDerWaalsContact C-N 3.29Å; V59-S61 WeakPolarHBondContact CG2-OG 3.12Å; V59-S61 PolarHBondContact O-N 3.35Å; S61-I64 PolarHBondContact O-N 2.89Å; S61-V65 WeakPolarHBondContact O-CG2 3.28Å; S61-V65 PolarHBondContact O-N 2.76Å; S61-E138 WeakPolarHBondContact CA-OE1 3.04Å; S61-E138 WeakPolarHBondContact CB-OE1 3.37Å; S61-E138 PolarHBondContact N-OE1 3.25Å; S61-E138 PolarHBondContact OG-OE1 2.96Å; S61-C142 PolarHBondContact N-SG 3.3Å; S61-C142 VanDerWaalsContact N-SG 3.41Å
62K97.4Very high96.9Very high102 Ų10248.5 Ų48.544%0.44325%0.245SC..Hα-helixtrans-69.2-43.4174.3-170.2177.6170.2-156.30111.7H58 V59 L60 I64 V65 E66H58-K62 VanDerWaalsContact CE1-CD 3.43Å; H58-K62 WeakPolarHBondContact CE1-CD 3.34Å; H58-K62 WeakPolarHBondContact CE1-CE 3.37Å; H58-K62 PolarHBondContact CE1-NZ 2.95Å; H58-K62 VanDerWaalsContact CE1-NZ 3.28Å; H58-K62 PolarHBondContact ND1-NZ 3.12Å; V59-K62 HydrophobicContact CG2-CB 4.39Å; V59-K62 WeakPolarHBondContact O-CB 3.5Å; V59-K62 PolarHBondContact O-N 3.48Å; L60-K62 PolarHBondContact O-N 2.68Å; K62-I64 VanDerWaalsContact C-N 3.27Å; K62-I64 PolarHBondContact O-N 2.83Å; K62-V65 WeakPolarHBondContact O-CB 3.41Å; K62-V65 PolarHBondContact O-N 3.49Å; K62-V65 VanDerWaalsContact O-N 3.14Å; K62-E66 WeakPolarHBondContact O-CG 3.49Å; K62-E66 PolarHBondContact O-N 2.77Å
63T97.5Very high97Very high0 Ų051.8 Ų51.80%026%0.257CS..Hα-helixtrans-56.7-40.7171.4-68.30000112.1Y51 D52 A54 H58 V59 L60 E66 A67Y51-T63 HydrophobicContact CD2-CG2 3.5Å; Y51-T63 VanDerWaalsContact CD2-CG2 3.5Å; Y51-T63 HydrophobicContact CE2-CG2 4.11Å; Y51-T63 HydrophobicContact CG-CG2 4.15Å; D52-T63 WeakPolarHBondContact O-CB 3.09Å; D52-T63 WeakPolarHBondContact O-CG2 3.37Å; D52-T63 PolarHBondContact O-OG1 3.45Å; A54-T63 PolarHBondContact N-OG1 3.16Å; H58-T63 PolarHBondContact CD2-OG1 2.87Å; V59-T63 PolarHBondContact O-N 3.41Å; L60-T63 HydrophobicContact CD1-CG2 4.39Å; L60-T63 WeakPolarHBondContact O-CB 3.25Å; L60-T63 PolarHBondContact O-N 3.1Å; L60-T63 VanDerWaalsContact O-N 3.11Å; T63-E66 PolarHBondContact O-N 3.33Å; T63-A67 PolarHBondContact O-N 2.78Å
64I98.3Very high97.1Very high3 Ų349.4 Ų49.42%0.01525%0.248CC..Hα-helixtrans-62.4-49174.9-65.6167.5000110.1L60 S61 K62 E66 A67 L68 L95 Q98 C142L60-I64 HydrophobicContact CD1-CG1 4.46Å; L60-I64 HydrophobicContact CG-CD1 4.29Å; L60-I64 HydrophobicContact CG-CG1 4.5Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.06Å; S61-I64 PolarHBondContact O-N 2.89Å; K62-I64 VanDerWaalsContact C-N 3.27Å; K62-I64 PolarHBondContact O-N 2.83Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 2.84Å; I64-A67 WeakPolarHBondContact O-CB 3.47Å; I64-A67 PolarHBondContact O-N 2.94Å; I64-L68 HydrophobicContact CG2-CD1 4.11Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.34Å; I64-L68 PolarHBondContact O-N 3.08Å; I64-L95 HydrophobicContact CB-CD2 4.32Å; I64-L95 HydrophobicContact CG1-CD2 3.79Å; I64-Q98 HydrophobicContact CG2-CB 4.07Å; I64-Q98 HydrophobicContact CG2-CG 4.02Å; I64-C142 HydrophobicContact CD1-CB 3.73Å
65V98Very high97.2Very high71 Ų7149.7 Ų49.743%0.4325%0.249SC..Hα-helixtrans-55.1-46.6177.91690000111.1S61 K62 A67 L68 E69S61-V65 WeakPolarHBondContact O-CG2 3.28Å; S61-V65 PolarHBondContact O-N 2.76Å; K62-V65 WeakPolarHBondContact O-CB 3.41Å; K62-V65 PolarHBondContact O-N 3.49Å; K62-V65 VanDerWaalsContact O-N 3.14Å; V65-A67 PolarHBondContact O-N 2.89Å; V65-L68 WeakPolarHBondContact O-CB 3.22Å; V65-L68 PolarHBondContact O-N 2.89Å; V65-L68 VanDerWaalsContact O-N 3.14Å; V65-E69 HydrophobicContact CG1-CG 4.34Å; V65-E69 WeakPolarHBondContact O-CG 3.22Å; V65-E69 PolarHBondContact O-N 2.84Å
66E96.7Very high97.3Very high23 Ų2354.9 Ų54.911%0.10727%0.269CS..Hα-helixtrans-65.2-37.8179.9-69.4164.3161.300112.7T2 D52 H58 K62 T63 I64 L68 E69 G70T2-E66 HydrophobicContact CG2-CB 4.49Å; D52-E66 WeakPolarHBondContact CB-OE2 3.31Å; H58-E66 IonicContact CE1-OE1 2.76Å; H58-E66 PolarHBondContact CE1-OE1 2.63Å; H58-E66 IonicContact CE1-OE2 3.38Å; H58-E66 PolarHBondContact CE1-OE2 2.76Å; H58-E66 IonicContact NE2-OE1 3.18Å; H58-E66 PolarHBondContact NE2-OE1 3.45Å; H58-E66 IonicContact NE2-OE2 2.63Å; H58-E66 PolarHBondContact NE2-OE2 3.29Å; K62-E66 WeakPolarHBondContact O-CG 3.49Å; K62-E66 PolarHBondContact O-N 2.77Å; T63-E66 PolarHBondContact O-N 3.33Å; I64-E66 VanDerWaalsContact C-N 3.3Å; I64-E66 PolarHBondContact O-N 2.84Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-E69 PolarHBondContact O-N 2.9Å; E66-G70 PolarHBondContact O-N 3.18Å
67A97.8Very high97.6Very high2 Ų252.5 Ų52.52%0.01726%0.259CS..Hα-helixtrans-62.1-43.1172.600000111.2Y51 T63 I64 V65 G70 V71 L95Y51-A67 HydrophobicContact CD1-CB 4.4Å; Y51-A67 HydrophobicContact CG-CB 4.47Å; T63-A67 PolarHBondContact O-N 2.78Å; I64-A67 WeakPolarHBondContact O-CB 3.47Å; I64-A67 PolarHBondContact O-N 2.94Å; V65-A67 PolarHBondContact O-N 2.89Å; A67-G70 PolarHBondContact O-N 2.98Å; A67-V71 WeakPolarHBondContact O-CG2 3.3Å; A67-V71 PolarHBondContact O-N 3.44Å; A67-L95 HydrophobicContact CB-CB 4.37Å; A67-L95 HydrophobicContact CB-CD1 4Å; A67-L95 HydrophobicContact CB-CD2 4.03Å; A67-L95 HydrophobicContact CB-CG 4.36Å
68L98.5Very high97.7Very high20 Ų2045.2 Ų45.211%0.10522%0.22CC..Hα-helixtrans-64.8-42.2176.5-63.8178.9000112I64 V65 E66 G70 V71 Q72 Q98 A99 I103I64-L68 HydrophobicContact CG2-CD1 4.11Å; I64-L68 HydrophobicContact CG2-CG 4.33Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.34Å; I64-L68 PolarHBondContact O-N 3.08Å; V65-L68 WeakPolarHBondContact O-CB 3.22Å; V65-L68 PolarHBondContact O-N 2.89Å; V65-L68 VanDerWaalsContact O-N 3.14Å; E66-L68 VanDerWaalsContact C-N 3.34Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 2.76Å; L68-V71 PolarHBondContact O-N 3.21Å; L68-Q72 WeakPolarHBondContact O-CG 3.14Å; L68-Q72 PolarHBondContact O-N 2.78Å; L68-Q98 HydrophobicContact CD2-CB 4.29Å; L68-A99 HydrophobicContact CD2-CB 3.76Å; L68-I103 HydrophobicContact CD2-CD1 4.11Å; L68-I103 HydrophobicContact CD2-CG1 4.5Å
69E98Very high97.7Very high111 Ų11151.5 Ų51.552%0.51925%0.247SC..Hα-helixtrans-60.2-40.6173.4-73.1178.1166.600111.3V65 E66 Q72 F73V65-E69 HydrophobicContact CG1-CG 4.34Å; V65-E69 WeakPolarHBondContact O-CG 3.22Å; V65-E69 PolarHBondContact O-N 2.84Å; E66-E69 PolarHBondContact O-N 2.9Å; E69-Q72 PolarHBondContact O-N 3.05Å; E69-F73 VanDerWaalsContact O-CB 3.3Å; E69-F73 WeakPolarHBondContact O-CB 3.45Å; E69-F73 PolarHBondContact O-N 2.89Å
70G98Very high97.6Very high5 Ų553.9 Ų53.95%0.05226%0.257CS..Hα-helixtrans-61.8-41.7173.700000113E66 A67 L68 F73 A74E66-G70 PolarHBondContact O-N 3.18Å; A67-G70 PolarHBondContact O-N 2.98Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 2.76Å; G70-F73 PolarHBondContact O-N 3.09Å; G70-A74 PolarHBondContact O-N 3.16Å
71V98.5Very high97.6Very high0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-63.5-49172.9174.80000110.6I17 I19 A67 L68 F73 A74 L75 I86 A99 I103I17-V71 HydrophobicContact CD1-CG1 4.21Å; I17-V71 HydrophobicContact CG2-CG2 4.25Å; I19-V71 HydrophobicContact CD1-CG2 4.06Å; A67-V71 WeakPolarHBondContact O-CG2 3.3Å; A67-V71 PolarHBondContact O-N 3.44Å; L68-V71 PolarHBondContact O-N 3.21Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 3.13Å; V71-A74 WeakPolarHBondContact O-CB 3.38Å; V71-A74 PolarHBondContact O-N 2.8Å; V71-A74 VanDerWaalsContact O-N 3.1Å; V71-L75 HydrophobicContact CG1-CD1 4.22Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 2.75Å; V71-I86 HydrophobicContact CG1-CD1 3.85Å; V71-A99 HydrophobicContact CG1-CB 4.39Å; V71-A99 HydrophobicContact CG2-CB 4.15Å; V71-I103 HydrophobicContact CB-CD1 3.9Å; V71-I103 HydrophobicContact CG1-CD1 3.62Å
72Q98.4Very high97.6Very high111 Ų11158 Ų5852%0.51927%0.272SS..Hα-helixtrans-60.6-38.8178.1-71.1-171.82200112.4L68 E69 L75 K76 I103L68-Q72 WeakPolarHBondContact O-CG 3.14Å; L68-Q72 PolarHBondContact O-N 2.78Å; E69-Q72 PolarHBondContact O-N 3.05Å; Q72-L75 PolarHBondContact O-N 2.85Å; Q72-K76 WeakPolarHBondContact O-CB 3.37Å; Q72-K76 PolarHBondContact O-N 2.91Å; Q72-I103 HydrophobicContact CG-CD1 3.88Å; Q72-I103 HydrophobicContact CG-CG1 4.31Å
73F97.9Very high97.6Very high121 Ų12157.2 Ų57.253%0.53127%0.268SS..Hα-helixtrans-60.8-45174179.3-96.9000111.4I4 E69 G70 V71 K76 K77I4-F73 HydrophobicContact CD1-CD1 3.74Å; I4-F73 HydrophobicContact CD1-CE1 3.61Å; I4-F73 HydrophobicContact CG1-CD1 4.18Å; I4-F73 HydrophobicContact CG1-CE1 3.96Å; I4-F73 HydrophobicContact CG2-CD1 4.33Å; E69-F73 VanDerWaalsContact O-CB 3.3Å; E69-F73 WeakPolarHBondContact O-CB 3.45Å; E69-F73 PolarHBondContact O-N 2.89Å; G70-F73 PolarHBondContact O-N 3.09Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 3.13Å; F73-K76 PolarHBondContact O-N 3.11Å; F73-K77 HydrophobicContact CE1-CD 4.25Å; F73-K77 WeakPolarHBondContact O-CB 3.41Å; F73-K77 PolarHBondContact O-N 2.76Å
74A97.8Very high97.7Very high1 Ų157.3 Ų57.31%0.00827%0.269CS..Hα-helixtrans-60.9-46.817400000111.6I17 V47 G70 V71 K76 K77 F78I17-A74 HydrophobicContact CD1-CB 3.94Å; I17-A74 HydrophobicContact CG1-CB 4.47Å; V47-A74 HydrophobicContact CG1-CB 3.89Å; G70-A74 PolarHBondContact O-N 3.16Å; V71-A74 WeakPolarHBondContact O-CB 3.38Å; V71-A74 PolarHBondContact O-N 2.8Å; V71-A74 VanDerWaalsContact O-N 3.1Å; A74-K76 VanDerWaalsContact C-N 3.28Å; A74-K76 PolarHBondContact O-N 2.88Å; A74-K77 PolarHBondContact O-N 2.75Å; A74-K77 VanDerWaalsContact O-N 3.16Å; A74-F78 WeakPolarHBondContact O-CD2 3.28Å; A74-F78 PolarHBondContact O-N 2.88Å
75L97.9Very high97.7Very high7 Ų757.1 Ų57.14%0.03727%0.268CS..Hα-helixtrans-55.9-41.7176.7-67.4177.3000112.3I17 V71 Q72 F78 I84 I103 D105 R107I17-L75 HydrophobicContact CD1-CD2 4.08Å; I17-L75 HydrophobicContact CD1-CG 4.46Å; V71-L75 HydrophobicContact CG1-CD1 4.22Å; V71-L75 HydrophobicContact CG1-CG 4.32Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 2.75Å; Q72-L75 PolarHBondContact O-N 2.85Å; L75-F78 CarbonylContact O-C 3.58Å; L75-I84 HydrophobicContact CD2-CD1 3.33Å; L75-I84 HydrophobicContact CD2-CG1 4.5Å; L75-I84 HydrophobicContact CD2-CG2 4.01Å; L75-I103 HydrophobicContact CD1-CG2 3.59Å; L75-D105 HydrophobicContact CD1-CB 4Å; L75-R107 PolarHBondContact O-NH1 3.39Å; L75-R107 PolarHBondContact O-NH2 3.48Å
76K97.2Very high97.8Very high168 Ų16853.8 Ų53.873%0.7325%0.247SC*.Hα-helixtrans-69.5-41.4177.2-178.6177.8178.21790112.4Q72 F73 A74 F78 K79Q72-K76 WeakPolarHBondContact O-CB 3.37Å; Q72-K76 PolarHBondContact O-N 2.91Å; F73-K76 PolarHBondContact O-N 3.11Å; A74-K76 VanDerWaalsContact C-N 3.28Å; A74-K76 PolarHBondContact O-N 2.88Å; K76-F78 VanDerWaalsContact C-N 3.33Å; K76-K79 PolarHBondContact O-N 2.92Å
77K97.4Very high97.9Very high77 Ų7752.7 Ų52.734%0.33524%0.242SC..Hα-helixtrans-63.7-41.5178.5-173.6169.9172.160.80111.1I4 I6 E10 F73 A74 K79I4-K77 HydrophobicContact CD1-CD 3.86Å; I6-K77 HydrophobicContact CD1-CD 3.93Å; E10-K77 WeakPolarHBondContact OE1-CE 3.43Å; E10-K77 IonicContact OE1-NZ 2.74Å; E10-K77 PolarHBondContact OE1-NZ 3.48Å; E10-K77 VanDerWaalsContact OE2-CE 3.28Å; E10-K77 WeakPolarHBondContact OE2-CE 3.32Å; E10-K77 IonicContact OE2-NZ 3.99Å; E10-K77 PolarHBondContact OE2-NZ 2.63Å; F73-K77 HydrophobicContact CE1-CD 4.25Å; F73-K77 WeakPolarHBondContact O-CB 3.41Å; F73-K77 PolarHBondContact O-N 2.76Å; A74-K77 PolarHBondContact O-N 2.75Å; A74-K77 VanDerWaalsContact O-N 3.16Å; K77-K79 VanDerWaalsContact C-N 3.32Å; K77-K79 PolarHBondContact O-N 2.91Å
78F97.6Very high97.9Very high3 Ų352.6 Ų52.61%0.01324%0.241CC..THydrogen-bonded Turntrans-93.646.3177-69-92.2000112.3I6 E10 V15 T45 V47 A74 L75 K76 N80 A81 R107I6-F78 HydrophobicContact CD1-CE2 3.92Å; I6-F78 HydrophobicContact CD1-CZ 3.94Å; I6-F78 HydrophobicContact CG1-CE2 4.38Å; I6-F78 HydrophobicContact CG1-CZ 4.32Å; I6-F78 HydrophobicContact CG2-CZ 3.88Å; E10-F78 HydrophobicContact CB-CE1 4.42Å; E10-F78 HydrophobicContact CG-CZ 4.49Å; V15-F78 HydrophobicContact CG1-CG 4.41Å; V15-F78 HydrophobicContact CG2-CB 3.94Å; V15-F78 HydrophobicContact CG2-CD1 3.45Å; V15-F78 VanDerWaalsContact CG2-CD1 3.45Å; V15-F78 HydrophobicContact CG2-CE1 4.05Å; V15-F78 HydrophobicContact CG2-CG 3.77Å; T45-F78 HydrophobicContact CG2-CE1 3.59Å; T45-F78 HydrophobicContact CG2-CZ 3.63Å; V47-F78 HydrophobicContact CG2-CD2 3.99Å; V47-F78 HydrophobicContact CG2-CE2 3.28Å; V47-F78 HydrophobicContact CG2-CZ 3.6Å; A74-F78 WeakPolarHBondContact O-CD2 3.28Å; A74-F78 PolarHBondContact O-N 2.88Å; L75-F78 CarbonylContact O-C 3.58Å; K76-F78 VanDerWaalsContact C-N 3.33Å; F78-N80 PolarHBondContact O-N 3.46Å; F78-A81 HydrophobicContact CB-CB 4.15Å; F78-A81 VanDerWaalsContact O-CB 3.31Å; F78-A81 WeakPolarHBondContact O-CB 3.17Å; F78-A81 PolarHBondContact O-N 3.29Å; F78-R107 PolarHBondContact O-NH1 2.97Å
79K95.8Very high97.9Very high156 Ų15651.9 Ų51.968%0.67824%0.238SC*.THydrogen-bonded Turntrans-54.9-25.2-177.464.8178.3-176.7179.20114.9K76 K77 R107K76-K79 PolarHBondContact O-N 2.92Å; K77-K79 VanDerWaalsContact C-N 3.32Å; K77-K79 PolarHBondContact O-N 2.91Å; K79-R107 VanDerWaalsContact CA-NH1 3.32Å; K79-R107 PolarHBondContact O-NH1 2.89Å
80N94.4Very high97.8Very high111 Ų11147 Ų4759%0.59422%0.216SC*.THydrogen-bonded Turntrans-91.9-6-179.4-63-20.8000113.6F78 K82F78-N80 PolarHBondContact O-N 3.46Å; N80-K82 PolarHBondContact O-N 2.99Å
81A97.9Very high97.8Very high6 Ų646.9 Ų46.95%0.0521%0.214CC..  trans-59.6140.3174.700000109.8V15 F78 I84 R107V15-A81 HydrophobicContact CB-CB 4.48Å; V15-A81 HydrophobicContact CG2-CB 3.7Å; F78-A81 HydrophobicContact CB-CB 4.15Å; F78-A81 VanDerWaalsContact O-CB 3.31Å; F78-A81 WeakPolarHBondContact O-CB 3.17Å; F78-A81 PolarHBondContact O-N 3.29Å; A81-I84 HydrophobicContact CB-CD1 4.05Å; A81-I84 HydrophobicContact CB-CG1 3.98Å; A81-R107 WeakPolarHBondContact O-CD 3.33Å
82K98.1Very high97.8Very high121 Ų12146.9 Ų46.953%0.52621%0.214SC..SBendtrans-101.2-31177.3-63178.5-174.2160.30111.6E13 N80E13-K82 HydrophobicContact CB-CD 4.42Å; E13-K82 HydrophobicContact CB-CG 4.46Å; E13-K82 PolarHBondContact O-N 3.44Å; E13-K82 WeakPolarHBondContact OE1-CE 3.28Å; E13-K82 IonicContact OE1-NZ 2.82Å; E13-K82 PolarHBondContact OE1-NZ 3.01Å; E13-K82 WeakPolarHBondContact OE2-CD 3.37Å; E13-K82 WeakPolarHBondContact OE2-CE 3.21Å; E13-K82 IonicContact OE2-NZ 3.47Å; E13-K82 PolarHBondContact OE2-NZ 3.18Å; N80-K82 PolarHBondContact O-N 2.99Å
83K98.5Very high97.8Very high85 Ų8541.6 Ų41.637%0.3719%0.189SC..EExtended strand (participates in β ladder)trans-129.9125.8-179.1-61.8-64.5-172.1173.50109.9E13 K14 V15 S109 I217E13-K83 PolarHBondContact O-N 2.88Å; E13-K83 VanDerWaalsContact O-N 3.11Å; K14-K83 CarbonylContact C-O 3.59Å; K14-K83 WeakPolarHBondContact CA-O 3.36Å; K14-K83 HydrophobicContact CG-CB 4.25Å; V15-K83 PolarHBondContact N-O 2.79Å; K83-S109 WeakPolarHBondContact CD-OG 3.28Å; K83-I217 HydrophobicContact CB-CG2 4.43Å; K83-I217 HydrophobicContact CD-CG2 4.45Å; K83-I217 WeakPolarHBondContact CE-O 3.43Å
84I98.8Very high97.8Very high1 Ų135.8 Ų35.81%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-127.4125.9179.4-56.1-177.4000108.9V15 I17 L75 A81 I86 R107 I108 S109 G110V15-I84 HydrophobicContact CB-CG1 4.32Å; V15-I84 CarbonylContact O-C 3.51Å; V15-I84 VanDerWaalsContact O-CA 3.28Å; V15-I84 WeakPolarHBondContact O-CA 3.33Å; I17-I84 HydrophobicContact CD1-CG2 3.83Å; I17-I84 HydrophobicContact CG1-CG2 4.14Å; L75-I84 HydrophobicContact CD2-CD1 3.33Å; L75-I84 HydrophobicContact CD2-CG1 4.5Å; L75-I84 HydrophobicContact CD2-CG2 4.01Å; A81-I84 HydrophobicContact CB-CD1 4.05Å; A81-I84 HydrophobicContact CB-CG1 3.98Å; I84-I86 HydrophobicContact CG2-CG1 4.33Å; I84-R107 HydrophobicContact CD1-CB 3.88Å; I84-R107 HydrophobicContact CG1-CB 4.01Å; I84-R107 PolarHBondContact N-O 2.97Å; I84-I108 CarbonylContact O-C 3.55Å; I84-I108 WeakPolarHBondContact O-CA 3.39Å; I84-S109 PolarHBondContact O-N 2.77Å; I84-G110 PolarHBondContact O-N 2.8Å
85V98.9Very high97.8Very high0 Ų035.9 Ų35.90%016%0.164CC..EExtended strand (participates in β ladder)trans-108.3131.21711770000107.8V15 F16 I17 Y44 G110 F213 L214 I217V15-V85 PolarHBondContact O-N 3.03Å; F16-V85 CarbonylContact C-O 3.54Å; F16-V85 WeakPolarHBondContact CA-O 3.25Å; F16-V85 HydrophobicContact CD2-CB 3.65Å; F16-V85 HydrophobicContact CD2-CG1 3.51Å; F16-V85 HydrophobicContact CE2-CB 4.13Å; F16-V85 HydrophobicContact CE2-CG1 3.43Å; F16-V85 VanDerWaalsContact CE2-CG1 3.43Å; I17-V85 PolarHBondContact N-O 3.03Å; Y44-V85 HydrophobicContact CE1-CG2 3.95Å; V85-G110 WeakPolarHBondContact CA-O 3.22Å; V85-F213 HydrophobicContact CG1-CE1 3.94Å; V85-F213 HydrophobicContact CG1-CZ 4.41Å; V85-L214 HydrophobicContact CB-CD2 4.36Å; V85-L214 HydrophobicContact CG1-CD2 4.12Å; V85-L214 HydrophobicContact CG2-CD2 4.12Å; V85-I217 HydrophobicContact CG2-CB 4.3Å; V85-I217 HydrophobicContact CG2-CG1 4.22Å; V85-I217 HydrophobicContact CG2-CG2 3.85Å
86I98.9Very high97.9Very high0 Ų035.5 Ų35.50%016%0.162CC..EExtended strand (participates in β ladder)trans-107.9125.5175-58.9175.1000108.1I17 V71 I84 A96 A99 V100 I108 G110 A111 Y112I17-I86 HydrophobicContact CB-CG1 4.34Å; I17-I86 HydrophobicContact CD1-CG1 4.37Å; I17-I86 CarbonylContact O-C 3.53Å; V71-I86 HydrophobicContact CG1-CD1 3.85Å; I84-I86 HydrophobicContact CG2-CG1 4.33Å; I86-A96 HydrophobicContact CG2-CB 4.08Å; I86-A99 HydrophobicContact CD1-CB 4.36Å; I86-A99 HydrophobicContact CG2-CB 4.18Å; I86-V100 HydrophobicContact CB-CG1 3.82Å; I86-V100 HydrophobicContact CD1-CG1 4.11Å; I86-V100 HydrophobicContact CG1-CG1 4.45Å; I86-V100 HydrophobicContact CG2-CG1 4.23Å; I86-I108 HydrophobicContact CD1-CD1 3.74Å; I86-I108 HydrophobicContact CD1-CG1 4.01Å; I86-I108 HydrophobicContact CD1-CG2 4.23Å; I86-I108 HydrophobicContact CG1-CG2 4.49Å; I86-G110 PolarHBondContact N-O 3.36Å; I86-G110 VanDerWaalsContact N-O 3.08Å; I86-A111 CarbonylContact O-C 3.45Å; I86-A111 WeakPolarHBondContact O-CA 3.49Å; I86-Y112 PolarHBondContact O-N 3.38Å
87G98.6Very high98Very high0 Ų027.5 Ų27.50%013%0.127CC..EExtended strand (participates in β ladder)trans-135.2163.2-178.300000113.5I17 M18 I19 Y112I17-G87 PolarHBondContact O-N 3.34Å; M18-G87 CarbonylContact C-O 3.54Å; M18-G87 WeakPolarHBondContact CA-O 3.26Å; I19-G87 PolarHBondContact N-O 2.93Å; G87-Y112 CarbonylContact C-O 3.48Å; G87-Y112 WeakPolarHBondContact CA-O 3.26Å
88G98.4Very high98Very high0 Ų023.9 Ų23.90%011%0.112CC..EExtended strand (participates in β ladder)trans-164.5161.2174.100000112.1I19 G92 A93 Y112 S114I19-G88 VanDerWaalsContact O-CA 3.24Å; I19-G88 WeakPolarHBondContact O-CA 3.3Å; G88-G92 VanDerWaalsContact CA-C 3.48Å; G88-A93 WeakPolarHBondContact O-CB 3.38Å; G88-Y112 PolarHBondContact N-O 3.1Å; G88-S114 PolarHBondContact O-N 2.83Å
89H98.1Very high98.1Very high6 Ų623.8 Ų23.83%0.02811%0.111CC..EExtended strand (participates in β ladder)trans-122.3138.3-179.8170.769.2000110.2M18 I19 G21 V91 G92 S114 H192 L196M18-H89 HydrophobicContact CE-CB 3.75Å; I19-H89 PolarHBondContact O-N 3.29Å; G21-H89 VanDerWaalsContact CA-O 3.26Å; G21-H89 WeakPolarHBondContact CA-O 3.29Å; G21-H89 PolarHBondContact N-O 3.16Å; H89-V91 PolarHBondContact O-N 3.02Å; H89-G92 VanDerWaalsContact O-CA 3.28Å; H89-G92 WeakPolarHBondContact O-CA 3.35Å; H89-G92 PolarHBondContact O-N 3.18Å; H89-S114 CarbonylContact C-O 3.59Å; H89-S114 VanDerWaalsContact CA-O 3.29Å; H89-S114 WeakPolarHBondContact CA-O 3.24Å; H89-S114 PolarHBondContact ND1-OG 2.88Å; H89-S114 VanDerWaalsContact ND1-OG 3.13Å; H89-H192 PolarHBondContact CE1-O 3.38Å; H89-H192 AromaticContact NE2-CD2 3.74Å; H89-H192 AromaticContact NE2-NE2 3.81Å; H89-H192 PolarHBondContact NE2-O 3.33Å; H89-L196 HydrophobicContact CB-CD2 4.16Å
90S96.9Very high98.2Very high9 Ų916.7 Ų16.76%0.0638%0.081CC..THydrogen-bonded Turntrans60.2-129.3-177.8-169.70000110.9G92 A93 H94 S114 A115 H192S90-G92 PolarHBondContact O-N 2.8Å; S90-G92 VanDerWaalsContact O-N 3.16Å; S90-A93 WeakPolarHBondContact O-CA 3.39Å; S90-A93 VanDerWaalsContact O-CB 3.25Å; S90-A93 WeakPolarHBondContact O-CB 3.31Å; S90-A93 PolarHBondContact O-N 3.27Å; S90-H94 PolarHBondContact O-N 3.3Å; S90-S114 PolarHBondContact N-O 3.32Å; S90-A115 VanDerWaalsContact CA-O 3.27Å; S90-A115 WeakPolarHBondContact CA-O 3.49Å; S90-H192 WeakPolarHBondContact CB-NE2 3.46Å; S90-H192 PolarHBondContact OG-CE1 3.02Å; S90-H192 PolarHBondContact OG-NE2 3.28Å
91V97.3Very high98.4Very high1 Ų112.2 Ų12.21%0.0066%0.058CC..Hα-helixtrans-59.7-18.9168.3-58.30000113.7W24 H89 A93 H94 L95 I117W24-V91 HydrophobicContact CD2-CB 3.91Å; W24-V91 HydrophobicContact CD2-CG1 3.71Å; W24-V91 HydrophobicContact CE3-CB 4.45Å; W24-V91 HydrophobicContact CE3-CG1 3.75Å; W24-V91 HydrophobicContact CG-CB 4.3Å; W24-V91 HydrophobicContact CG-CG1 4.49Å; W24-V91 HydrophobicContact CH2-CB 4.28Å; W24-V91 HydrophobicContact CH2-CG1 3.52Å; W24-V91 HydrophobicContact CZ2-CB 3.75Å; W24-V91 HydrophobicContact CZ2-CG1 3.52Å; W24-V91 HydrophobicContact CZ3-CG1 3.65Å; H89-V91 PolarHBondContact O-N 3.02Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.22Å; V91-H94 VanDerWaalsContact O-CB 3.24Å; V91-H94 WeakPolarHBondContact O-CB 3.47Å; V91-H94 PolarHBondContact O-N 2.91Å; V91-L95 WeakPolarHBondContact O-CG 3.03Å; V91-L95 PolarHBondContact O-N 3.42Å; V91-L95 VanDerWaalsContact O-N 3.09Å; V91-I117 HydrophobicContact CB-CG2 4.46Å; V91-I117 HydrophobicContact CG1-CG2 3.76Å
92G98.2Very high98.4Very high0 Ų017.3 Ų17.30%08%0.076CC..Hα-helixtrans-65.3-33.716900000111.7I19 H20 G88 H89 S90 H94 L95 A96I19-G92 WeakPolarHBondContact O-CA 3.48Å; H20-G92 VanDerWaalsContact O-CA 3.22Å; H20-G92 WeakPolarHBondContact O-CA 3.25Å; H20-G92 PolarHBondContact O-N 3.31Å; G88-G92 VanDerWaalsContact CA-C 3.48Å; H89-G92 VanDerWaalsContact O-CA 3.28Å; H89-G92 WeakPolarHBondContact O-CA 3.35Å; H89-G92 PolarHBondContact O-N 3.18Å; S90-G92 PolarHBondContact O-N 2.8Å; S90-G92 VanDerWaalsContact O-N 3.16Å; G92-H94 VanDerWaalsContact C-N 3.34Å; G92-L95 PolarHBondContact O-N 2.82Å; G92-A96 VanDerWaalsContact O-CB 3.32Å; G92-A96 WeakPolarHBondContact O-CB 3.18Å; G92-A96 PolarHBondContact O-N 3.47Å
93A98.5Very high98.4Very high0 Ų012.4 Ų12.40%06%0.055CC..Hα-helixtrans-69.8-33.2174.600000111.5G88 S90 V91 A96 F97 L113G88-A93 WeakPolarHBondContact O-CB 3.38Å; S90-A93 WeakPolarHBondContact O-CA 3.39Å; S90-A93 VanDerWaalsContact O-CB 3.25Å; S90-A93 WeakPolarHBondContact O-CB 3.31Å; S90-A93 PolarHBondContact O-N 3.27Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.22Å; A93-A96 PolarHBondContact O-N 2.67Å; A93-F97 WeakPolarHBondContact O-CB 3.46Å; A93-F97 PolarHBondContact O-N 2.68Å; A93-L113 HydrophobicContact CB-CB 4.3Å; A93-L113 HydrophobicContact CB-CD2 4.37Å
94H98.7Very high98.3Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-57.8-50.6168.3173.7-98.1000111.1W24 S90 V91 G92 A96 F97 Q98 I117 C142 C144W24-H94 AromaticContact CE2-ND1 3.81Å; W24-H94 HydrophobicContact CZ2-CB 4.03Å; W24-H94 AromaticContact CZ2-CG 3.71Å; W24-H94 AromaticContact CZ2-ND1 3.63Å; W24-H94 AromaticContact NE1-ND1 3.42Å; W24-H94 PolarHBondContact NE1-ND1 3.32Å; S90-H94 PolarHBondContact O-N 3.3Å; V91-H94 VanDerWaalsContact O-CB 3.24Å; V91-H94 WeakPolarHBondContact O-CB 3.47Å; V91-H94 PolarHBondContact O-N 2.91Å; G92-H94 VanDerWaalsContact C-N 3.34Å; H94-A96 PolarHBondContact O-N 2.99Å; H94-F97 WeakPolarHBondContact O-CB 3.27Å; H94-F97 PolarHBondContact O-N 3.15Å; H94-Q98 WeakPolarHBondContact O-CG 3.24Å; H94-Q98 PolarHBondContact O-N 2.83Å; H94-I117 HydrophobicContact CB-CG2 4.46Å; H94-I117 WeakPolarHBondContact CB-O 3.42Å; H94-C142 PolarHBondContact CE1-O 3.3Å; H94-C142 PolarHBondContact NE2-O 3.43Å; H94-C144 PolarHBondContact CD2-SG 3.22Å
95L98.7Very high98.2Very high2 Ų218.2 Ų18.21%0.018%0.084CC..Hα-helixtrans-67.8-37.4179.9-63.9174.8000112.3I19 Y51 I64 A67 V91 G92 F97 Q98 A99I19-L95 HydrophobicContact CD1-CB 3.97Å; I19-L95 HydrophobicContact CG2-CB 3.9Å; I19-L95 HydrophobicContact CG2-CD1 3.68Å; I19-L95 HydrophobicContact CG2-CG 4.43Å; Y51-L95 HydrophobicContact CD1-CD1 3.47Å; Y51-L95 VanDerWaalsContact CD1-CD1 3.47Å; Y51-L95 HydrophobicContact CD2-CD1 4.4Å; Y51-L95 HydrophobicContact CE1-CD1 3.29Å; Y51-L95 HydrophobicContact CE2-CD1 4.25Å; Y51-L95 HydrophobicContact CG-CD1 4.04Å; I64-L95 HydrophobicContact CB-CD2 4.32Å; I64-L95 HydrophobicContact CG1-CD2 3.79Å; A67-L95 HydrophobicContact CB-CB 4.37Å; A67-L95 HydrophobicContact CB-CD1 4Å; A67-L95 HydrophobicContact CB-CD2 4.03Å; A67-L95 HydrophobicContact CB-CG 4.36Å; V91-L95 WeakPolarHBondContact O-CG 3.03Å; V91-L95 PolarHBondContact O-N 3.42Å; V91-L95 VanDerWaalsContact O-N 3.09Å; G92-L95 PolarHBondContact O-N 2.82Å; L95-F97 VanDerWaalsContact C-N 3.35Å; L95-Q98 PolarHBondContact O-N 3.12Å; L95-A99 PolarHBondContact O-N 2.76Å
96A98.8Very high98.1Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-63.1-41.417400000111.3I19 I86 G92 A93 H94 Q98 A99 V100 L113I19-A96 HydrophobicContact CD1-CB 4.33Å; I86-A96 HydrophobicContact CG2-CB 4.08Å; G92-A96 VanDerWaalsContact O-CB 3.32Å; G92-A96 WeakPolarHBondContact O-CB 3.18Å; G92-A96 PolarHBondContact O-N 3.47Å; A93-A96 PolarHBondContact O-N 2.67Å; H94-A96 PolarHBondContact O-N 2.99Å; A96-Q98 PolarHBondContact O-N 3.14Å; A96-A99 WeakPolarHBondContact O-CB 3.28Å; A96-A99 PolarHBondContact O-N 3.37Å; A96-V100 WeakPolarHBondContact O-CG1 3.33Å; A96-V100 WeakPolarHBondContact O-CG2 3.29Å; A96-V100 PolarHBondContact O-N 2.82Å; A96-L113 HydrophobicContact CB-CD2 3.71Å
97F98.8Very high98.1Very high0 Ų026.5 Ų26.50%013%0.132CC..Hα-helixtrans-55.8-49.9171.2177.3-75.1000111.1A93 H94 L95 A99 V100 T101 Y118 C144 D145 Y146 M149 F175A93-F97 WeakPolarHBondContact O-CB 3.46Å; A93-F97 PolarHBondContact O-N 2.68Å; H94-F97 WeakPolarHBondContact O-CB 3.27Å; H94-F97 PolarHBondContact O-N 3.15Å; L95-F97 VanDerWaalsContact C-N 3.35Å; F97-A99 PolarHBondContact O-N 3.13Å; F97-V100 WeakPolarHBondContact O-CG2 3.25Å; F97-V100 PolarHBondContact O-N 2.82Å; F97-T101 HydrophobicContact CD1-CG2 4.25Å; F97-T101 HydrophobicContact CE1-CG2 3.78Å; F97-T101 HydrophobicContact CE2-CG2 4.32Å; F97-T101 HydrophobicContact CZ-CG2 3.82Å; F97-T101 WeakPolarHBondContact O-CG2 3.48Å; F97-T101 PolarHBondContact O-N 2.74Å; F97-T101 VanDerWaalsContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 2.9Å; F97-Y118 HydrophobicContact CB-CD1 4.47Å; F97-Y118 HydrophobicContact CB-CE1 4.41Å; F97-Y118 HydrophobicContact CD2-CD1 4.38Å; F97-Y118 HydrophobicContact CD2-CE1 4.47Å; F97-C144 HydrophobicContact CD1-CB 3.55Å; F97-C144 WeakPolarHBondContact CD1-SG 3.33Å; F97-C144 HydrophobicContact CD2-CB 4.34Å; F97-C144 HydrophobicContact CE1-CB 3.46Å; F97-C144 VanDerWaalsContact CE1-CB 3.46Å; F97-C144 HydrophobicContact CE2-CB 4.22Å; F97-C144 HydrophobicContact CG-CB 4.04Å; F97-C144 HydrophobicContact CZ-CB 3.82Å; F97-D145 VanDerWaalsContact CZ-O 3.3Å; F97-D145 WeakPolarHBondContact CZ-O 3.42Å; F97-Y146 HydrophobicContact CE2-CD1 4.26Å; F97-Y146 HydrophobicContact CZ-CD1 4.47Å; F97-M149 HydrophobicContact CD2-CG 4.25Å; F97-M149 HydrophobicContact CD2-SD 4.03Å; F97-M149 HydrophobicContact CE2-CG 3.39Å; F97-M149 HydrophobicContact CE2-SD 3.7Å; F97-M149 HydrophobicContact CZ-CG 3.94Å; F97-M149 HydrophobicContact CZ-SD 4.35Å; F97-F175 AromaticContact CD2-CE2 3.9Å; F97-F175 HydrophobicContact CD2-CE2 3.9Å; F97-F175 AromaticContact CD2-CZ 3.68Å; F97-F175 HydrophobicContact CD2-CZ 3.68Å; F97-F175 AromaticContact CE2-CE2 3.54Å; F97-F175 HydrophobicContact CE2-CE2 3.54Å; F97-F175 AromaticContact CE2-CZ 3.78Å; F97-F175 HydrophobicContact CE2-CZ 3.78Å
98Q98.7Very high98.1Very high1 Ų127 Ų271%0.00514%0.135CC..Hα-helixtrans-61.3-37.1179.3-62.2-67.18.500111I64 L68 H94 L95 A96 T101 R102 C142I64-Q98 HydrophobicContact CG2-CB 4.07Å; I64-Q98 HydrophobicContact CG2-CG 4.02Å; L68-Q98 HydrophobicContact CD2-CB 4.29Å; H94-Q98 WeakPolarHBondContact O-CG 3.24Å; H94-Q98 PolarHBondContact O-N 2.83Å; L95-Q98 PolarHBondContact O-N 3.12Å; A96-Q98 PolarHBondContact O-N 3.14Å; Q98-T101 PolarHBondContact O-OG1 2.65Å; Q98-R102 VanDerWaalsContact O-CB 3.25Å; Q98-R102 WeakPolarHBondContact O-CB 3.41Å; Q98-R102 VanDerWaalsContact O-CG 3.24Å; Q98-R102 WeakPolarHBondContact O-CG 3.03Å; Q98-R102 PolarHBondContact O-N 2.82Å; Q98-C142 PolarHBondContact NE2-O 3.23Å
99A98.7Very high98.1Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-65.5-50.8177.400000112.4L68 V71 I86 L95 A96 F97 T101 R102 I103L68-A99 HydrophobicContact CD2-CB 3.76Å; V71-A99 HydrophobicContact CG1-CB 4.39Å; V71-A99 HydrophobicContact CG2-CB 4.15Å; I86-A99 HydrophobicContact CD1-CB 4.36Å; I86-A99 HydrophobicContact CG2-CB 4.18Å; L95-A99 PolarHBondContact O-N 2.76Å; A96-A99 WeakPolarHBondContact O-CB 3.28Å; A96-A99 PolarHBondContact O-N 3.37Å; F97-A99 PolarHBondContact O-N 3.13Å; A99-T101 VanDerWaalsContact C-N 3.26Å; A99-T101 PolarHBondContact O-N 3.03Å; A99-R102 PolarHBondContact O-N 3.38Å; A99-I103 HydrophobicContact CB-CD1 4.21Å; A99-I103 VanDerWaalsContact O-CB 3.3Å; A99-I103 WeakPolarHBondContact O-CB 3.11Å; A99-I103 PolarHBondContact O-N 2.91Å
100V98.5Very high98.2Very high8 Ų827.5 Ų27.55%0.04814%0.139CC..Hα-helixtrans-71.1-20.9-175-63.70000114I86 A96 F97 A111 M149 F154I86-V100 HydrophobicContact CB-CG1 3.82Å; I86-V100 HydrophobicContact CD1-CG1 4.11Å; I86-V100 HydrophobicContact CG1-CG1 4.45Å; I86-V100 HydrophobicContact CG2-CG1 4.23Å; A96-V100 WeakPolarHBondContact O-CG1 3.33Å; A96-V100 WeakPolarHBondContact O-CG2 3.29Å; A96-V100 PolarHBondContact O-N 2.82Å; F97-V100 WeakPolarHBondContact O-CG2 3.25Å; F97-V100 PolarHBondContact O-N 2.82Å; V100-A111 HydrophobicContact CG1-CB 4.09Å; V100-M149 HydrophobicContact CG2-SD 4.33Å; V100-F154 HydrophobicContact CB-CE2 4.4Å; V100-F154 HydrophobicContact CB-CZ 3.94Å; V100-F154 HydrophobicContact CG1-CE2 4.41Å; V100-F154 HydrophobicContact CG1-CZ 4.16Å
101T98.1Very high98.2Very high17 Ų1727 Ų2710%0.10414%0.136CC..Hα-helixtrans-92.7-22.7178.253.30000113.6F97 Q98 A99 L148 M149 V152F97-T101 HydrophobicContact CD1-CG2 4.25Å; F97-T101 HydrophobicContact CE1-CG2 3.78Å; F97-T101 HydrophobicContact CE2-CG2 4.32Å; F97-T101 HydrophobicContact CZ-CG2 3.82Å; F97-T101 WeakPolarHBondContact O-CG2 3.48Å; F97-T101 PolarHBondContact O-N 2.74Å; F97-T101 VanDerWaalsContact O-N 3.14Å; F97-T101 PolarHBondContact O-OG1 2.9Å; Q98-T101 PolarHBondContact O-OG1 2.65Å; A99-T101 VanDerWaalsContact C-N 3.26Å; A99-T101 PolarHBondContact O-N 3.03Å; T101-L148 HydrophobicContact CG2-CB 3.69Å; T101-M149 HydrophobicContact CG2-CG 4.38Å; T101-M149 HydrophobicContact CG2-SD 3.7Å; T101-V152 HydrophobicContact CG2-CG2 4.39Å
102R97.9Very high98.3Very high113 Ų11327 Ų2743%0.42614%0.135SC..Hα-helixtrans-110.5-21.3-175.2-59.3174.8-177.4-165.8-2.9114.5Q98 A99Q98-R102 VanDerWaalsContact O-CB 3.25Å; Q98-R102 WeakPolarHBondContact O-CB 3.41Å; Q98-R102 VanDerWaalsContact O-CG 3.24Å; Q98-R102 WeakPolarHBondContact O-CG 3.03Å; Q98-R102 PolarHBondContact O-N 2.82Å; A99-R102 PolarHBondContact O-N 3.38Å
103I98.2Very high98.3Very high18 Ų1827 Ų279%0.09214%0.135CC..  trans-99.3115.3-179.6-59.4173.1000109.5L68 V71 Q72 L75 A99 D105 I108L68-I103 HydrophobicContact CD2-CD1 4.11Å; L68-I103 HydrophobicContact CD2-CG1 4.5Å; V71-I103 HydrophobicContact CB-CD1 3.9Å; V71-I103 HydrophobicContact CG1-CD1 3.62Å; Q72-I103 HydrophobicContact CG-CD1 3.88Å; Q72-I103 HydrophobicContact CG-CG1 4.31Å; L75-I103 HydrophobicContact CD1-CG2 3.59Å; A99-I103 HydrophobicContact CB-CD1 4.21Å; A99-I103 VanDerWaalsContact O-CB 3.3Å; A99-I103 WeakPolarHBondContact O-CB 3.11Å; A99-I103 PolarHBondContact O-N 2.91Å; I103-D105 HydrophobicContact CG2-CB 4.39Å; I103-D105 PolarHBondContact O-N 2.78Å; I103-I108 HydrophobicContact CB-CD1 4.49Å; I103-I108 HydrophobicContact CG2-CD1 4.22Å
104H96.2Very high98.3Very high177 Ų17727 Ų2782%0.81914%0.135SC*.  trans-93.787.7176.7-56.9-54.1000110.4
105D97.7Very high98.3Very high31 Ų3127 Ų2717%0.16614%0.135CC..  trans-122.7120.6171.4-171-50.6000109.4L75 I103 R107 I108L75-D105 HydrophobicContact CD1-CB 4Å; I103-D105 HydrophobicContact CG2-CB 4.39Å; I103-D105 PolarHBondContact O-N 2.78Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.19Å; D105-R107 VanDerWaalsContact OD1-CG 3.31Å; D105-R107 WeakPolarHBondContact OD1-CG 3.47Å; D105-R107 IonicContact OD1-CZ 3.56Å; D105-R107 PolarHBondContact OD1-N 3.16Å; D105-R107 IonicContact OD1-NE 3.43Å; D105-R107 PolarHBondContact OD1-NE 3.46Å; D105-R107 IonicContact OD1-NH2 3.02Å; D105-R107 IonicContact OD2-CZ 2.9Å; D105-R107 IonicContact OD2-NE 3.57Å; D105-R107 PolarHBondContact OD2-NE 2.89Å; D105-R107 IonicContact OD2-NH2 3.37Å; D105-R107 PolarHBondContact OD2-NH2 3.35Å; D105-I108 HydrophobicContact CB-CD1 3.84Å; D105-I108 HydrophobicContact CB-CG1 4.01Å; D105-I108 WeakPolarHBondContact O-CB 3.34Å; D105-I108 PolarHBondContact O-N 2.97Å
106P97.2Very high98.2Very high129 Ų12926.9 Ų26.984%0.83814%0.135SC*.THydrogen-bonded Turntrans-65.7-11.5-174.628.2-36.2000113.6
107R98.4Very high98.2Very high45 Ų4527.4 Ų27.417%0.1714%0.137CC..THydrogen-bonded Turntrans-82.3-18.3176.7-55.3170.3-72.3163.52.4112L75 F78 K79 A81 I84 D105 S109L75-R107 PolarHBondContact O-NH1 3.39Å; L75-R107 PolarHBondContact O-NH2 3.48Å; F78-R107 PolarHBondContact O-NH1 2.97Å; K79-R107 VanDerWaalsContact CA-NH1 3.32Å; K79-R107 PolarHBondContact O-NH1 2.89Å; A81-R107 WeakPolarHBondContact O-CD 3.33Å; I84-R107 HydrophobicContact CD1-CB 3.88Å; I84-R107 HydrophobicContact CG1-CB 4.01Å; I84-R107 PolarHBondContact N-O 2.97Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.19Å; D105-R107 VanDerWaalsContact OD1-CG 3.31Å; D105-R107 WeakPolarHBondContact OD1-CG 3.47Å; D105-R107 IonicContact OD1-CZ 3.56Å; D105-R107 PolarHBondContact OD1-N 3.16Å; D105-R107 IonicContact OD1-NE 3.43Å; D105-R107 PolarHBondContact OD1-NE 3.46Å; D105-R107 IonicContact OD1-NH2 3.02Å; D105-R107 IonicContact OD2-CZ 2.9Å; D105-R107 IonicContact OD2-NE 3.57Å; D105-R107 PolarHBondContact OD2-NE 2.89Å; D105-R107 IonicContact OD2-NH2 3.37Å; D105-R107 PolarHBondContact OD2-NH2 3.35Å; R107-S109 PolarHBondContact O-N 3.08Å; R107-S109 VanDerWaalsContact O-N 3.08Å; R107-S109 PolarHBondContact O-OG 3.46Å
108I98.6Very high98.1Very high11 Ų1127.4 Ų27.46%0.05614%0.137CC..EExtended strand (participates in β ladder)trans-65.3113.6174.7-58.6166.7000107.7I84 I86 I103 D105 F154I84-I108 CarbonylContact O-C 3.55Å; I84-I108 WeakPolarHBondContact O-CA 3.39Å; I86-I108 HydrophobicContact CD1-CD1 3.74Å; I86-I108 HydrophobicContact CD1-CG1 4.01Å; I86-I108 HydrophobicContact CD1-CG2 4.23Å; I86-I108 HydrophobicContact CG1-CG2 4.49Å; I103-I108 HydrophobicContact CB-CD1 4.49Å; I103-I108 HydrophobicContact CG2-CD1 4.22Å; D105-I108 HydrophobicContact CB-CD1 3.84Å; D105-I108 HydrophobicContact CB-CG1 4.01Å; D105-I108 WeakPolarHBondContact O-CB 3.34Å; D105-I108 PolarHBondContact O-N 2.97Å; I108-F154 HydrophobicContact CB-CE1 4.11Å; I108-F154 HydrophobicContact CG2-CD1 4.19Å; I108-F154 HydrophobicContact CG2-CE1 3.5Å; I108-F154 HydrophobicContact CG2-CE2 4.18Å; I108-F154 HydrophobicContact CG2-CZ 3.48Å; I108-F154 VanDerWaalsContact CG2-CZ 3.48Å; I108-F154 WeakPolarHBondContact O-CD1 3.2Å
109S98.4Very high98.1Very high15 Ų1531.7 Ų31.711%0.10516%0.156CC..EExtended strand (participates in β ladder)trans-123.5-1-166.8-56.50000112.6K83 I84 R107 F154 I217K83-S109 WeakPolarHBondContact CD-OG 3.28Å; I84-S109 PolarHBondContact O-N 2.77Å; R107-S109 PolarHBondContact O-N 3.08Å; R107-S109 VanDerWaalsContact O-N 3.08Å; R107-S109 PolarHBondContact O-OG 3.46Å; S109-F154 VanDerWaalsContact C-CB 3.45Å; S109-F154 WeakPolarHBondContact O-CB 3.21Å; S109-I217 VanDerWaalsContact CB-CG2 3.49Å; S109-I217 VanDerWaalsContact O-CD1 3.3Å; S109-I217 WeakPolarHBondContact O-CD1 3.34Å
110G98.7Very high98Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-172.2160.9175.700000112.8I84 V85 I86 P155I84-G110 PolarHBondContact O-N 2.8Å; V85-G110 WeakPolarHBondContact CA-O 3.22Å; I86-G110 PolarHBondContact N-O 3.36Å; I86-G110 VanDerWaalsContact N-O 3.08Å; G110-P155 VanDerWaalsContact CA-O 3.28Å; G110-P155 WeakPolarHBondContact CA-O 3.05Å
111A98.8Very high97.9Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-130.5138.8171.400000112.6I86 V100 F154 P155 V156 L157 F213I86-A111 CarbonylContact O-C 3.45Å; I86-A111 WeakPolarHBondContact O-CA 3.49Å; V100-A111 HydrophobicContact CG1-CB 4.09Å; A111-F154 HydrophobicContact CB-CE2 3.94Å; A111-P155 PolarHBondContact N-O 3.05Å; A111-V156 HydrophobicContact CB-CB 4.46Å; A111-V156 HydrophobicContact CB-CG1 4.05Å; A111-V156 HydrophobicContact CB-CG2 4.24Å; A111-V156 CarbonylContact O-C 3.6Å; A111-V156 WeakPolarHBondContact O-CA 3.35Å; A111-L157 PolarHBondContact O-N 3.36Å; A111-F213 WeakPolarHBondContact O-CZ 3.38Å
112Y98.8Very high97.7Very high0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-118.6108.5173.8173.6-113.2000110.9F16 V35 I86 G87 G88 S114 L157 A159 F210F16-Y112 AromaticContact CZ-CD1 3.97Å; F16-Y112 HydrophobicContact CZ-CD1 3.97Å; F16-Y112 HydrophobicContact CZ-CG 4.34Å; V35-Y112 HydrophobicContact CG1-CE1 4.43Å; I86-Y112 PolarHBondContact O-N 3.38Å; G87-Y112 CarbonylContact C-O 3.48Å; G87-Y112 WeakPolarHBondContact CA-O 3.26Å; G88-Y112 PolarHBondContact N-O 3.1Å; Y112-S114 WeakPolarHBondContact OH-CB 3.32Å; Y112-L157 HydrophobicContact CD2-CB 4.12Å; Y112-L157 HydrophobicContact CD2-CD2 3.62Å; Y112-L157 HydrophobicContact CD2-CG 3.78Å; Y112-L157 HydrophobicContact CE2-CD2 3.78Å; Y112-L157 HydrophobicContact CE2-CG 4.07Å; Y112-A159 HydrophobicContact CE2-CB 3.89Å; Y112-F210 HydrophobicContact CD1-CD2 4.44Å; Y112-F210 AromaticContact CD1-CE2 3.86Å; Y112-F210 HydrophobicContact CD1-CE2 3.86Å; Y112-F210 AromaticContact CD2-CD2 3.76Å; Y112-F210 HydrophobicContact CD2-CD2 3.76Å; Y112-F210 AromaticContact CD2-CE2 3.85Å; Y112-F210 HydrophobicContact CD2-CE2 3.85Å; Y112-F210 HydrophobicContact CE1-CD2 4.41Å; Y112-F210 HydrophobicContact CE1-CE2 4.12Å; Y112-F210 AromaticContact CE2-CD2 3.73Å; Y112-F210 HydrophobicContact CE2-CD2 3.73Å; Y112-F210 HydrophobicContact CE2-CE2 4.12Å; Y112-F210 HydrophobicContact CG-CD2 4.11Å; Y112-F210 AromaticContact CG-CE2 3.7Å; Y112-F210 HydrophobicContact CG-CE2 3.7Å
113L98.7Very high97.6Very high0 Ų034.4 Ų34.40%017%0.172CC..EExtended strand (participates in β ladder)trans-11699.6-173.6-54.9178.3000108.9A93 A96 V156 L157 I158 A159 F175A93-L113 HydrophobicContact CB-CB 4.3Å; A93-L113 HydrophobicContact CB-CD2 4.37Å; A96-L113 HydrophobicContact CB-CD2 3.71Å; L113-V156 HydrophobicContact CD1-CG1 3.81Å; L113-V156 HydrophobicContact CG-CG1 4.28Å; L113-L157 PolarHBondContact N-O 2.95Å; L113-I158 WeakPolarHBondContact O-CA 3.25Å; L113-A159 PolarHBondContact O-N 3.33Å; L113-F175 HydrophobicContact CD1-CE1 3.51Å; L113-F175 HydrophobicContact CD1-CZ 3.82Å
114S98.3Very high97.5Very high0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-103.5125.7-174.2173.50000111.6G88 H89 S90 Y112 G116G88-S114 PolarHBondContact O-N 2.83Å; H89-S114 CarbonylContact C-O 3.59Å; H89-S114 VanDerWaalsContact CA-O 3.29Å; H89-S114 WeakPolarHBondContact CA-O 3.24Å; H89-S114 PolarHBondContact ND1-OG 2.88Å; H89-S114 VanDerWaalsContact ND1-OG 3.13Å; S90-S114 PolarHBondContact N-O 3.32Å; Y112-S114 WeakPolarHBondContact OH-CB 3.32Å; S114-G116 PolarHBondContact O-N 3.03Å; S114-G116 VanDerWaalsContact O-N 3.13Å
115A97.5Very high97.5Very high0 Ų032.4 Ų32.40%018%0.178CC..SBendtrans47.943.717300000112.8S90 A159 E164 H192S90-A115 VanDerWaalsContact CA-O 3.27Å; S90-A115 WeakPolarHBondContact CA-O 3.49Å; A115-A159 PolarHBondContact N-O 3.19Å; A115-E164 WeakPolarHBondContact CB-OE2 3.43Å; A115-H192 PolarHBondContact O-CE1 3.08Å
116G97.6Very high97.4Very high0 Ų033.3 Ų33.30%019%0.185CC..  trans-75.7159.1-165.600000114.4S114 N172S114-G116 PolarHBondContact O-N 3.03Å; S114-G116 VanDerWaalsContact O-N 3.13Å; G116-N172 PolarHBondContact N-ND2 3.04Å; G116-N172 PolarHBondContact N-OD1 3.03Å; G116-N172 VanDerWaalsContact N-OD1 3.14Å; G116-N172 PolarHBondContact O-ND2 3.2Å
117I97.6Very high97.2Very high11 Ų1132 Ų326%0.05617%0.174CC..  trans-115.3140.9161.2-173164.3000108.2W24 V91 H94 I120 L123 L168W24-I117 HydrophobicContact CH2-CG2 3.69Å; W24-I117 HydrophobicContact CZ2-CG2 4.03Å; V91-I117 HydrophobicContact CB-CG2 4.46Å; V91-I117 HydrophobicContact CG1-CG2 3.76Å; H94-I117 HydrophobicContact CB-CG2 4.46Å; H94-I117 WeakPolarHBondContact CB-O 3.42Å; I117-I120 HydrophobicContact CD1-CG2 4.09Å; I117-I120 HydrophobicContact CG1-CG2 3.98Å; I117-L123 HydrophobicContact CD1-CD1 3.95Å; I117-L123 HydrophobicContact CD1-CD2 4.39Å; I117-L123 HydrophobicContact CD1-CG 4.35Å; I117-L168 HydrophobicContact CB-CD2 3.5Å; I117-L168 HydrophobicContact CD1-CD2 4.05Å; I117-L168 HydrophobicContact CG1-CD2 3.92Å
118Y98.1Very high97Very high0 Ų034.6 Ų34.60%019%0.185CC..  trans-134.4-45.6-170.7-56.2-70.9000112.9F97 S143 C144 Y146 Q171 F175F97-Y118 HydrophobicContact CB-CD1 4.47Å; F97-Y118 HydrophobicContact CB-CE1 4.41Å; F97-Y118 HydrophobicContact CD2-CD1 4.38Å; F97-Y118 HydrophobicContact CD2-CE1 4.47Å; Y118-S143 CarbonylContact O-C 3.56Å; Y118-S143 WeakPolarHBondContact O-CA 3.33Å; Y118-C144 HydrophobicContact CD1-CB 4.43Å; Y118-C144 PolarHBondContact O-N 2.92Å; Y118-Y146 WeakPolarHBondContact CB-OH 3.42Å; Y118-Y146 HydrophobicContact CD2-CE1 4.4Å; Y118-Y146 AromaticContact CG-CE1 3.96Å; Y118-Y146 HydrophobicContact CG-CE1 3.96Å; Y118-Q171 HydrophobicContact CD2-CB 4.33Å; Y118-F175 HydrophobicContact CD2-CB 4.06Å; Y118-F175 HydrophobicContact CD2-CD1 4.19Å; Y118-F175 HydrophobicContact CD2-CG 4.16Å; Y118-F175 HydrophobicContact CE1-CD1 4.03Å; Y118-F175 AromaticContact CE1-CE1 3.99Å; Y118-F175 HydrophobicContact CE1-CE1 3.99Å; Y118-F175 HydrophobicContact CE2-CB 4.02Å; Y118-F175 AromaticContact CE2-CD1 3.54Å; Y118-F175 HydrophobicContact CE2-CD1 3.54Å; Y118-F175 HydrophobicContact CE2-CE1 4.31Å; Y118-F175 AromaticContact CE2-CG 3.95Å; Y118-F175 HydrophobicContact CE2-CG 3.95Å; Y118-F175 AromaticContact CZ-CD1 3.43Å; Y118-F175 VanDerWaalsContact CZ-CD1 3.43Å; Y118-F175 AromaticContact CZ-CE1 3.74Å
119K97.8Very high96.8Very high90 Ų9034.1 Ų34.139%0.39118%0.183SC..  trans-99.5120.2171.9-61.5-59.2-166.31780108.6C144 Q171K119-C144 WeakPolarHBondContact CE-O 3.19Å; K119-C144 PolarHBondContact NZ-O 3.24Å; K119-Q171 PolarHBondContact O-NE2 2.76Å; K119-Q171 PolarHBondContact O-OE1 3.44Å
120I97.1Very high96.6Very high0 Ų038.7 Ų38.70%020%0.202CC..  trans-114.86.6-168.961.4169.2000113.9W24 L60 I117 E122 L123 L134 A139 C142 S143W24-I120 HydrophobicContact CH2-CG2 3.67Å; W24-I120 HydrophobicContact CZ2-CG2 4.36Å; W24-I120 HydrophobicContact CZ3-CG2 4.5Å; L60-I120 HydrophobicContact CD2-CD1 3.43Å; L60-I120 VanDerWaalsContact CD2-CD1 3.43Å; I117-I120 HydrophobicContact CD1-CG2 4.09Å; I117-I120 HydrophobicContact CG1-CG2 3.98Å; I120-E122 VanDerWaalsContact C-N 3.25Å; I120-E122 PolarHBondContact O-N 3.31Å; I120-L123 HydrophobicContact CB-CD1 4.01Å; I120-L123 HydrophobicContact CB-CG 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.11Å; I120-L123 VanDerWaalsContact O-CB 3.29Å; I120-L123 WeakPolarHBondContact O-CB 3.31Å; I120-L123 PolarHBondContact O-N 3.22Å; I120-L134 HydrophobicContact CD1-CD1 4.1Å; I120-L134 HydrophobicContact CD1-CD2 4.31Å; I120-A139 HydrophobicContact CG1-CB 4.21Å; I120-A139 WeakPolarHBondContact CG1-O 3.4Å; I120-C142 HydrophobicContact CD1-CB 3.75Å; I120-S143 WeakPolarHBondContact CG1-OG 3.36Å; I120-S143 PolarHBondContact N-OG 2.79Å; I120-S143 VanDerWaalsContact N-OG 3.09Å
121Q96.8Very high96.5Very high67 Ų6742.7 Ų42.731%0.31322%0.223SC..G310 helixtrans-54.7-40.7-177.7-159.364.61800113.3L123 T124 S136 A139Q121-L123 PolarHBondContact O-N 2.85Å; Q121-T124 WeakPolarHBondContact O-CB 3.27Å; Q121-T124 VanDerWaalsContact O-CG2 3.3Å; Q121-T124 WeakPolarHBondContact O-CG2 3.35Å; Q121-T124 PolarHBondContact O-N 3.36Å; Q121-T124 PolarHBondContact O-OG1 3.36Å; Q121-S136 PolarHBondContact NE2-O 3.47Å; Q121-A139 VanDerWaalsContact OE1-CB 3.25Å
122E94.1Very high96.2Very high107 Ų10742.7 Ų42.750%0.522%0.224SC..G310 helixtrans-66.3-24.2-178.6-67.6177.6-174.500112.6I120 T124 S125 K167I120-E122 VanDerWaalsContact C-N 3.25Å; I120-E122 PolarHBondContact O-N 3.31Å; E122-T124 PolarHBondContact O-N 2.86Å; E122-S125 PolarHBondContact O-N 2.94Å; E122-S125 PolarHBondContact O-OG 3.03Å; E122-K167 VanDerWaalsContact CD-CE 3.4Å; E122-K167 VanDerWaalsContact CD-NZ 3.32Å; E122-K167 VanDerWaalsContact OE1-CE 3.24Å; E122-K167 WeakPolarHBondContact OE1-CE 3.41Å; E122-K167 IonicContact OE1-NZ 2.63Å; E122-K167 PolarHBondContact OE1-NZ 3.02Å; E122-K167 WeakPolarHBondContact OE2-CD 3.3Å; E122-K167 WeakPolarHBondContact OE2-CE 3.48Å; E122-K167 WeakPolarHBondContact OE2-CG 3.42Å; E122-K167 IonicContact OE2-NZ 2.76Å; E122-K167 PolarHBondContact OE2-NZ 2.97Å
123L95.7Very high96Very high22 Ų2243.8 Ų43.812%0.11523%0.234CC..G310 helixtrans-64.1-27178.9-62.5-174.6000112.2W24 I117 I120 Q121 S125 T126 G129 L134W24-L123 HydrophobicContact CH2-CD1 4.28Å; W24-L123 HydrophobicContact CZ3-CD1 3.83Å; I117-L123 HydrophobicContact CD1-CD1 3.95Å; I117-L123 HydrophobicContact CD1-CD2 4.39Å; I117-L123 HydrophobicContact CD1-CG 4.35Å; I120-L123 HydrophobicContact CB-CD1 4.01Å; I120-L123 HydrophobicContact CB-CG 4.38Å; I120-L123 HydrophobicContact CG2-CD1 4.11Å; I120-L123 VanDerWaalsContact O-CB 3.29Å; I120-L123 WeakPolarHBondContact O-CB 3.31Å; I120-L123 PolarHBondContact O-N 3.22Å; Q121-L123 PolarHBondContact O-N 2.85Å; L123-S125 PolarHBondContact O-N 3.21Å; L123-T126 WeakPolarHBondContact O-CB 3.28Å; L123-T126 PolarHBondContact O-N 3.48Å; L123-T126 PolarHBondContact O-OG1 2.94Å; L123-G129 WeakPolarHBondContact O-CA 3.2Å; L123-G129 PolarHBondContact O-N 2.66Å; L123-L134 HydrophobicContact CB-CD2 3.83Å
124T96.5Very high96Very high47 Ų4744.4 Ų44.429%0.28824%0.238SC..G310 helixtrans-55.2-25.6179.860.30000113.3Q121 E122 L134 A139Q121-T124 WeakPolarHBondContact O-CB 3.27Å; Q121-T124 VanDerWaalsContact O-CG2 3.3Å; Q121-T124 WeakPolarHBondContact O-CG2 3.35Å; Q121-T124 PolarHBondContact O-N 3.36Å; Q121-T124 PolarHBondContact O-OG1 3.36Å; E122-T124 PolarHBondContact O-N 2.86Å; T124-L134 HydrophobicContact CG2-CD2 4.1Å; T124-L134 HydrophobicContact CG2-CG 4.17Å; T124-A139 HydrophobicContact CG2-CB 3.64Å
125S95.6Very high95.9Very high106 Ų10648.1 Ų48.174%0.74126%0.26SS*.G310 helixtrans-94.52.2179.367.90000114.4E122 L123E122-S125 PolarHBondContact O-N 2.94Å; E122-S125 PolarHBondContact O-OG 3.03Å; L123-S125 PolarHBondContact O-N 3.21Å
126T94.6Very high95.9Very high49 Ų4951.7 Ų51.730%0.30129%0.285SS..SBendtrans-109.3164.6-174.772.20000111.9L123 Y128 G129 H130L123-T126 WeakPolarHBondContact O-CB 3.28Å; L123-T126 PolarHBondContact O-N 3.48Å; L123-T126 PolarHBondContact O-OG1 2.94Å; T126-Y128 PolarHBondContact O-N 2.81Å; T126-Y128 PolarHBondContact OG1-N 3.3Å; T126-G129 PolarHBondContact O-N 2.61Å; T126-G129 PolarHBondContact OG1-N 2.88Å; T126-H130 PolarHBondContact O-N 3.34Å; T126-H130 VanDerWaalsContact O-N 3.08Å
127T94.3Very high95.9Very high101 Ų10159 Ų5962%0.6232%0.32SS*.Hα-helixtrans-58.9-36.9172.552.30000112G129 H130 D131T127-G129 PolarHBondContact O-N 3.1Å; T127-H130 WeakPolarHBondContact O-CB 3.4Å; T127-H130 PolarHBondContact O-N 2.93Å; T127-D131 VanDerWaalsContact O-CG 3.26Å; T127-D131 PolarHBondContact O-N 3.35Å
128Y92.6Very high95.9Very high101 Ų10159.7 Ų59.740%0.39632%0.323SS..Hα-helixtrans-62.2-43.1175.7-61.5-69.5000112.3Y23 T126 H130 D131 L132Y23-Y128 HydrophobicContact CD1-CD1 4.07Å; Y23-Y128 HydrophobicContact CD1-CG 4.16Å; Y23-Y128 HydrophobicContact CD2-CD1 4.27Å; Y23-Y128 HydrophobicContact CD2-CE1 4.04Å; Y23-Y128 HydrophobicContact CE1-CD1 4.27Å; Y23-Y128 HydrophobicContact CE1-CD2 4.24Å; Y23-Y128 HydrophobicContact CE1-CE1 4.49Å; Y23-Y128 HydrophobicContact CE1-CE2 4.46Å; Y23-Y128 HydrophobicContact CE1-CG 4.14Å; Y23-Y128 HydrophobicContact CE2-CD1 4.45Å; Y23-Y128 AromaticContact CE2-CE1 3.98Å; Y23-Y128 HydrophobicContact CE2-CE1 3.98Å; Y23-Y128 HydrophobicContact CG-CD1 4.06Å; Y23-Y128 HydrophobicContact CG-CE1 4.31Å; T126-Y128 PolarHBondContact O-N 2.81Å; T126-Y128 PolarHBondContact OG1-N 3.3Å; Y128-H130 VanDerWaalsContact C-N 3.33Å; Y128-D131 PolarHBondContact O-N 2.87Å; Y128-L132 WeakPolarHBondContact O-CB 3.44Å; Y128-L132 WeakPolarHBondContact O-CD1 3.49Å; Y128-L132 WeakPolarHBondContact O-CG 3.45Å; Y128-L132 PolarHBondContact O-N 3Å
129G95.1Very high95.9Very high1 Ų159.7 Ų59.71%0.0132%0.323CS..Hα-helixtrans-63.9-39.5175.400000112.4L123 T126 T127 L132 G133 L134L123-G129 WeakPolarHBondContact O-CA 3.2Å; L123-G129 PolarHBondContact O-N 2.66Å; T126-G129 PolarHBondContact O-N 2.61Å; T126-G129 PolarHBondContact OG1-N 2.88Å; T127-G129 PolarHBondContact O-N 3.1Å; G129-L132 PolarHBondContact O-N 3.07Å; G129-G133 PolarHBondContact O-N 2.95Å; G129-L134 WeakPolarHBondContact O-CB 3.17Å; G129-L134 PolarHBondContact O-N 3.05Å
130H94.9Very high95.9Very high110 Ų11061.9 Ų61.951%0.50933%0.334SS..Hα-helixtrans-62-44.6174.6172.8-89000112.4K56 T126 T127 Y128 L132 G133K56-H130 WeakPolarHBondContact CE-O 3.42Å; K56-H130 PolarHBondContact NZ-CE1 2.94Å; K56-H130 VanDerWaalsContact NZ-CE1 3.34Å; K56-H130 PolarHBondContact NZ-NE2 3.06Å; T126-H130 PolarHBondContact O-N 3.34Å; T126-H130 VanDerWaalsContact O-N 3.08Å; T127-H130 WeakPolarHBondContact O-CB 3.4Å; T127-H130 PolarHBondContact O-N 2.93Å; Y128-H130 VanDerWaalsContact C-N 3.33Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 3.04Å; H130-G133 PolarHBondContact O-N 3.41Å
131D95.1Very high96Very high84 Ų8465.9 Ų65.945%0.44936%0.359SS..Hα-helixtrans-67.4-33.5-179.7-67.3-12.7000112L25 T127 Y128 G133L25-D131 HydrophobicContact CD1-CB 3.91Å; L25-D131 HydrophobicContact CD2-CB 4.37Å; T127-D131 VanDerWaalsContact O-CG 3.26Å; T127-D131 PolarHBondContact O-N 3.35Å; Y128-D131 PolarHBondContact O-N 2.87Å; D131-G133 PolarHBondContact O-N 3.26Å
132L94.3Very high96Very high1 Ų162.8 Ų62.81%0.00534%0.344CS..Hα-helixtrans-68.4-17.8171.3-74.6168.6000113.8Y23 W24 L25 A54 N55 Y128 G129 H130 L134Y23-L132 WeakPolarHBondContact O-CD2 3.35Å; W24-L132 HydrophobicContact CB-CD2 3.96Å; W24-L132 HydrophobicContact CE3-CD1 3.83Å; W24-L132 HydrophobicContact CE3-CD2 4.2Å; W24-L132 HydrophobicContact CZ3-CD1 4.15Å; L25-L132 HydrophobicContact CD1-CD2 4.42Å; L25-L132 HydrophobicContact CD1-CG 4.28Å; L25-L132 HydrophobicContact CD2-CD2 3.88Å; L25-L132 HydrophobicContact CD2-CG 4.28Å; L25-L132 HydrophobicContact CG-CD2 3.82Å; L25-L132 HydrophobicContact CG-CG 4.2Å; A54-L132 HydrophobicContact CB-CD2 3.56Å; N55-L132 CarbonylContact C-O 3.56Å; N55-L132 VanDerWaalsContact C-O 3.28Å; N55-L132 WeakPolarHBondContact CA-O 3.3Å; Y128-L132 WeakPolarHBondContact O-CB 3.44Å; Y128-L132 WeakPolarHBondContact O-CD1 3.49Å; Y128-L132 WeakPolarHBondContact O-CG 3.45Å; Y128-L132 PolarHBondContact O-N 3Å; G129-L132 PolarHBondContact O-N 3.07Å; H130-L132 VanDerWaalsContact C-N 3.31Å; H130-L132 PolarHBondContact O-N 3.04Å; L132-L134 HydrophobicContact CB-CB 3.93Å; L132-L134 PolarHBondContact O-N 3.23Å
133G94.6Very high96.2Very high22 Ų2258.3 Ų58.323%0.22733%0.325CS..THydrogen-bonded Turntrans6528.1-164.500000112.7G129 H130 D131 T135G129-G133 PolarHBondContact O-N 2.95Å; H130-G133 PolarHBondContact O-N 3.41Å; D131-G133 PolarHBondContact O-N 3.26Å; G133-T135 PolarHBondContact O-N 3.03Å
134L97.3Very high96.4Very high13 Ų1357.3 Ų57.37%0.06832%0.32CS..  trans-75.5108.7-172.5-169.370.8000111.1L60 I120 L123 T124 G129 L132 E138 A139L60-L134 HydrophobicContact CD2-CD1 4.04Å; I120-L134 HydrophobicContact CD1-CD1 4.1Å; I120-L134 HydrophobicContact CD1-CD2 4.31Å; L123-L134 HydrophobicContact CB-CD2 3.83Å; T124-L134 HydrophobicContact CG2-CD2 4.1Å; T124-L134 HydrophobicContact CG2-CG 4.17Å; G129-L134 WeakPolarHBondContact O-CB 3.17Å; G129-L134 PolarHBondContact O-N 3.05Å; L132-L134 HydrophobicContact CB-CB 3.93Å; L132-L134 PolarHBondContact O-N 3.23Å; L134-E138 HydrophobicContact CD1-CB 4.18Å; L134-E138 HydrophobicContact CD1-CG 4.02Å; L134-A139 HydrophobicContact CD1-CB 4.1Å; L134-A139 HydrophobicContact CD2-CB 4Å; L134-A139 HydrophobicContact CG-CB 3.95Å
135T97.3Very high96.4Very high78 Ų7858.7 Ų58.748%0.47933%0.326SS..  trans-83.2164.3170.471.50000110.7G133 E137 E138 A139G133-T135 PolarHBondContact O-N 3.03Å; T135-E137 VanDerWaalsContact C-N 3.26Å; T135-E137 PolarHBondContact O-N 3.27Å; T135-E138 PolarHBondContact O-N 3.37Å; T135-E138 WeakPolarHBondContact OG1-CB 3.44Å; T135-E138 PolarHBondContact OG1-N 3.46Å; T135-E138 VanDerWaalsContact OG1-N 3.08Å; T135-A139 WeakPolarHBondContact O-CB 3.17Å; T135-A139 PolarHBondContact O-N 3.4Å
136S97.4Very high96.5Very high75 Ų7555 Ų5552%0.52430%0.296SS..Hα-helixtrans-60.1-35.4174.5-58.40000113.2Q121 E140Q121-S136 PolarHBondContact NE2-O 3.47Å; S136-E140 PolarHBondContact O-N 3.43Å; S136-E140 VanDerWaalsContact O-N 3.12Å
137E97.8Very high96.6Very high154 Ų15457 Ų5772%0.7230%0.301SS*.Hα-helixtrans-71.2-42.1177.6-178.8178.6-173.300111.5T135 A139 E140 T141T135-E137 VanDerWaalsContact C-N 3.26Å; T135-E137 PolarHBondContact O-N 3.27Å; E137-A139 VanDerWaalsContact C-N 3.35Å; E137-E140 PolarHBondContact O-N 3.32Å; E137-T141 WeakPolarHBondContact O-CB 3.34Å; E137-T141 PolarHBondContact O-N 3.36Å; E137-T141 PolarHBondContact O-OG1 2.86Å
138E97.8Very high96.7Very high26 Ų2654.9 Ų54.912%0.12129%0.286CS..Hα-helixtrans-66.7-39.8177.1-170.369175.900111V59 L60 S61 L134 T135 T141 C142V59-E138 WeakPolarHBondContact CB-OE1 3.33Å; L60-E138 HydrophobicContact CB-CG 4.32Å; L60-E138 PolarHBondContact N-OE1 2.7Å; S61-E138 WeakPolarHBondContact CA-OE1 3.04Å; S61-E138 WeakPolarHBondContact CB-OE1 3.37Å; S61-E138 PolarHBondContact N-OE1 3.25Å; S61-E138 PolarHBondContact OG-OE1 2.96Å; L134-E138 HydrophobicContact CD1-CB 4.18Å; L134-E138 HydrophobicContact CD1-CG 4.02Å; T135-E138 PolarHBondContact O-N 3.37Å; T135-E138 WeakPolarHBondContact OG1-CB 3.44Å; T135-E138 PolarHBondContact OG1-N 3.46Å; T135-E138 VanDerWaalsContact OG1-N 3.08Å; E138-T141 PolarHBondContact O-N 2.79Å; E138-C142 WeakPolarHBondContact O-CB 3.21Å; E138-C142 PolarHBondContact O-N 3.22Å; E138-C142 PolarHBondContact O-SG 2.99Å
139A98.1Very high96.9Very high0 Ų050.2 Ų50.20%027%0.268CS..Hα-helixtrans-63-40.4175.500000112.9I120 Q121 T124 L134 T135 E137 S143I120-A139 HydrophobicContact CG1-CB 4.21Å; I120-A139 WeakPolarHBondContact CG1-O 3.4Å; Q121-A139 VanDerWaalsContact OE1-CB 3.25Å; T124-A139 HydrophobicContact CG2-CB 3.64Å; L134-A139 HydrophobicContact CD1-CB 4.1Å; L134-A139 HydrophobicContact CD2-CB 4Å; L134-A139 HydrophobicContact CG-CB 3.95Å; T135-A139 WeakPolarHBondContact O-CB 3.17Å; T135-A139 PolarHBondContact O-N 3.4Å; E137-A139 VanDerWaalsContact C-N 3.35Å; A139-S143 WeakPolarHBondContact O-CB 3.21Å; A139-S143 PolarHBondContact O-N 3.11Å; A139-S143 PolarHBondContact O-OG 2.92Å
140E97.8Very high96.8Very high136 Ų13655.3 Ų55.364%0.63629%0.29SS*.Hα-helixtrans-63.4-51.3174.9-174.665.6-160.500110.1S136 E137 C142 S143S136-E140 PolarHBondContact O-N 3.43Å; S136-E140 VanDerWaalsContact O-N 3.12Å; E137-E140 PolarHBondContact O-N 3.32Å; E140-C142 VanDerWaalsContact C-N 3.31Å; E140-C142 PolarHBondContact O-N 2.86Å; E140-S143 PolarHBondContact O-N 3.45Å
141T97.4Very high96.7Very high83 Ų8357.1 Ų57.151%0.50930%0.298SS..Hα-helixtrans-61.3-37.9-179.1-59.70000112.8E137 E138E137-T141 WeakPolarHBondContact O-CB 3.34Å; E137-T141 PolarHBondContact O-N 3.36Å; E137-T141 PolarHBondContact O-OG1 2.86Å; E138-T141 PolarHBondContact O-N 2.79Å
142C98.3Very high96.7Very high2 Ų253.6 Ų53.61%0.01428%0.28CS..Hα-helixtrans-89.5-12.3-176.3-67.40000113.3L60 S61 I64 H94 Q98 I120 E138 E140L60-C142 HydrophobicContact CD2-CB 3.76Å; L60-C142 HydrophobicContact CG-CB 4.08Å; S61-C142 PolarHBondContact N-SG 3.3Å; S61-C142 VanDerWaalsContact N-SG 3.41Å; I64-C142 HydrophobicContact CD1-CB 3.73Å; H94-C142 PolarHBondContact CE1-O 3.3Å; H94-C142 PolarHBondContact NE2-O 3.43Å; Q98-C142 PolarHBondContact NE2-O 3.23Å; I120-C142 HydrophobicContact CD1-CB 3.75Å; E138-C142 WeakPolarHBondContact O-CB 3.21Å; E138-C142 PolarHBondContact O-N 3.22Å; E138-C142 PolarHBondContact O-SG 2.99Å; E140-C142 VanDerWaalsContact C-N 3.31Å; E140-C142 PolarHBondContact O-N 2.86Å
143S98.4Very high96.8Very high14 Ų1463.8 Ų63.810%0.09832%0.318CS..SBendtrans-65.9145175.1-73.60000111.2Y118 I120 A139 E140Y118-S143 CarbonylContact O-C 3.56Å; Y118-S143 WeakPolarHBondContact O-CA 3.33Å; I120-S143 WeakPolarHBondContact CG1-OG 3.36Å; I120-S143 PolarHBondContact N-OG 2.79Å; I120-S143 VanDerWaalsContact N-OG 3.09Å; A139-S143 WeakPolarHBondContact O-CB 3.21Å; A139-S143 PolarHBondContact O-N 3.11Å; A139-S143 PolarHBondContact O-OG 2.92Å; E140-S143 PolarHBondContact O-N 3.45Å
144C98.4Very high96.9Very high0 Ų064.5 Ų64.50%032%0.315CS..  trans-72129.6177.9-63.40000110.6H94 F97 Y118 K119 Y146H94-C144 PolarHBondContact CD2-SG 3.22Å; F97-C144 HydrophobicContact CD1-CB 3.55Å; F97-C144 WeakPolarHBondContact CD1-SG 3.33Å; F97-C144 HydrophobicContact CD2-CB 4.34Å; F97-C144 HydrophobicContact CE1-CB 3.46Å; F97-C144 VanDerWaalsContact CE1-CB 3.46Å; F97-C144 HydrophobicContact CE2-CB 4.22Å; F97-C144 HydrophobicContact CG-CB 4.04Å; F97-C144 HydrophobicContact CZ-CB 3.82Å; Y118-C144 HydrophobicContact CD1-CB 4.43Å; Y118-C144 PolarHBondContact O-N 2.92Å; K119-C144 WeakPolarHBondContact CE-O 3.19Å; K119-C144 PolarHBondContact NZ-O 3.24Å; C144-Y146 HydrophobicContact CB-CD1 4.4Å; C144-Y146 HydrophobicContact CB-CE1 4.27Å
145D97.6Very high97Very high77 Ų7765.9 Ų65.941%0.41233%0.325SS..  trans-90.2104.1168.9-179.910.4000110.1F97 E147 L148F97-D145 VanDerWaalsContact CZ-O 3.3Å; F97-D145 WeakPolarHBondContact CZ-O 3.42Å; D145-E147 PolarHBondContact O-N 3.48Å; D145-E147 VanDerWaalsContact O-N 3.15Å; D145-E147 WeakPolarHBondContact OD1-CB 3.37Å; D145-E147 PolarHBondContact OD1-N 2.88Å; D145-E147 VanDerWaalsContact OD1-N 3.12Å; D145-L148 HydrophobicContact CB-CD1 4.08Å; D145-L148 HydrophobicContact CB-CG 4.08Å; D145-L148 WeakPolarHBondContact O-CB 3.34Å; D145-L148 WeakPolarHBondContact O-CG 3.24Å; D145-L148 PolarHBondContact O-N 2.96Å; D145-L148 VanDerWaalsContact O-N 3.09Å
146Y96.8Very high97.1Very high29 Ų2962.1 Ų62.111%0.11430%0.302CS..G310 helixtrans-59.6-25.1-177.3-61.9-21.3000113.4F97 Y118 C144 L148 M149 F175 Q178F97-Y146 HydrophobicContact CE2-CD1 4.26Å; F97-Y146 HydrophobicContact CZ-CD1 4.47Å; Y118-Y146 WeakPolarHBondContact CB-OH 3.42Å; Y118-Y146 HydrophobicContact CD2-CE1 4.4Å; Y118-Y146 AromaticContact CG-CE1 3.96Å; Y118-Y146 HydrophobicContact CG-CE1 3.96Å; C144-Y146 HydrophobicContact CB-CD1 4.4Å; C144-Y146 HydrophobicContact CB-CE1 4.27Å; Y146-L148 PolarHBondContact O-N 3.42Å; Y146-M149 WeakPolarHBondContact O-CB 3.37Å; Y146-M149 PolarHBondContact O-N 3.29Å; Y146-F175 AromaticContact CD1-CD2 3.39Å; Y146-F175 HydrophobicContact CD1-CD2 3.39Å; Y146-F175 AromaticContact CD1-CE2 3.85Å; Y146-F175 HydrophobicContact CD1-CE2 3.85Å; Y146-F175 HydrophobicContact CD1-CG 4.37Å; Y146-F175 HydrophobicContact CD2-CD2 4.36Å; Y146-F175 HydrophobicContact CE1-CB 4.05Å; Y146-F175 AromaticContact CE1-CD2 3.4Å; Y146-F175 HydrophobicContact CE1-CD2 3.4Å; Y146-F175 VanDerWaalsContact CE1-CD2 3.4Å; Y146-F175 HydrophobicContact CE1-CE2 4.15Å; Y146-F175 AromaticContact CE1-CG 3.95Å; Y146-F175 HydrophobicContact CE1-CG 3.95Å; Y146-F175 HydrophobicContact CE2-CB 4.19Å; Y146-F175 HydrophobicContact CE2-CD2 4.38Å; Y146-F175 AromaticContact CG-CD2 3.9Å; Y146-F175 HydrophobicContact CG-CD2 3.9Å; Y146-F175 HydrophobicContact CG-CE2 4.48Å; Y146-F175 AromaticContact CZ-CD2 3.94Å; Y146-Q178 HydrophobicContact CD2-CB 4.47Å; Y146-Q178 HydrophobicContact CD2-CG 4Å
147E96.6Very high97.1Very high90 Ų9058.6 Ų58.642%0.42128%0.277SS..G310 helixtrans-58.9-31.4177-70-68.2125.900112D145 M149 K150D145-E147 PolarHBondContact O-N 3.48Å; D145-E147 VanDerWaalsContact O-N 3.15Å; D145-E147 WeakPolarHBondContact OD1-CB 3.37Å; D145-E147 PolarHBondContact OD1-N 2.88Å; D145-E147 VanDerWaalsContact OD1-N 3.12Å; E147-M149 PolarHBondContact O-N 2.93Å; E147-M149 VanDerWaalsContact O-N 3.16Å; E147-K150 VanDerWaalsContact O-CB 3.3Å; E147-K150 WeakPolarHBondContact O-CB 3.39Å; E147-K150 WeakPolarHBondContact O-CG 3.46Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CE 3.36Å; E147-K150 IonicContact OE1-NZ 2.59Å; E147-K150 PolarHBondContact OE1-NZ 3.28Å; E147-K150 WeakPolarHBondContact OE2-CD 3.49Å; E147-K150 VanDerWaalsContact OE2-CE 3.24Å; E147-K150 WeakPolarHBondContact OE2-CE 3.3Å; E147-K150 IonicContact OE2-NZ 3.98Å; E147-K150 PolarHBondContact OE2-NZ 3.5Å
148L96.8Very high97.2Very high57 Ų5751.3 Ų51.330%0.29824%0.243SC..G310 helixtrans-61.8-25177.9-60.2176.9000112.9T101 D145 Y146 K150 H151T101-L148 HydrophobicContact CG2-CB 3.69Å; D145-L148 HydrophobicContact CB-CD1 4.08Å; D145-L148 HydrophobicContact CB-CG 4.08Å; D145-L148 WeakPolarHBondContact O-CB 3.34Å; D145-L148 WeakPolarHBondContact O-CG 3.24Å; D145-L148 PolarHBondContact O-N 2.96Å; D145-L148 VanDerWaalsContact O-N 3.09Å; Y146-L148 PolarHBondContact O-N 3.42Å; L148-K150 PolarHBondContact O-N 3.42Å; L148-H151 PolarHBondContact O-N 2.93Å
149M96.4Very high97.2Very high2 Ų250 Ų501%0.0124%0.237CC..G310 helixtrans-69.3-18176.5-68.1-64.3-6700113.2F97 V100 T101 Y146 E147 H151 V152 V156 F175 V179F97-M149 HydrophobicContact CD2-CG 4.25Å; F97-M149 HydrophobicContact CD2-SD 4.03Å; F97-M149 HydrophobicContact CE2-CG 3.39Å; F97-M149 HydrophobicContact CE2-SD 3.7Å; F97-M149 HydrophobicContact CZ-CG 3.94Å; F97-M149 HydrophobicContact CZ-SD 4.35Å; V100-M149 HydrophobicContact CG2-SD 4.33Å; T101-M149 HydrophobicContact CG2-CG 4.38Å; T101-M149 HydrophobicContact CG2-SD 3.7Å; Y146-M149 WeakPolarHBondContact O-CB 3.37Å; Y146-M149 PolarHBondContact O-N 3.29Å; E147-M149 PolarHBondContact O-N 2.93Å; E147-M149 VanDerWaalsContact O-N 3.16Å; M149-H151 PolarHBondContact O-N 2.93Å; M149-H151 VanDerWaalsContact O-N 3.16Å; M149-V152 HydrophobicContact CE-CB 4.2Å; M149-V152 HydrophobicContact CE-CG1 4.21Å; M149-V152 HydrophobicContact CE-CG2 4.25Å; M149-V152 WeakPolarHBondContact O-CB 3.44Å; M149-V152 PolarHBondContact O-N 2.94Å; M149-V152 HydrophobicContact SD-CB 4.38Å; M149-V152 HydrophobicContact SD-CG2 3.85Å; M149-V156 HydrophobicContact CE-CB 4.46Å; M149-V156 HydrophobicContact CE-CG1 4.14Å; M149-V156 HydrophobicContact CE-CG2 3.68Å; M149-F175 HydrophobicContact CE-CZ 4.19Å; M149-F175 HydrophobicContact CG-CE2 3.82Å; M149-F175 HydrophobicContact CG-CZ 4.09Å; M149-F175 HydrophobicContact SD-CZ 4.38Å; M149-V179 HydrophobicContact CB-CG2 3.89Å; M149-V179 HydrophobicContact CE-CG1 3.73Å; M149-V179 HydrophobicContact CE-CG2 4Å; M149-V179 HydrophobicContact CG-CG2 3.92Å
150K93.9Very high97.2Very high109 Ų10950.1 Ų50.147%0.47424%0.237SC..G310 helixtrans-62.3-22.2173.7-64.4179-178.9172.60112.5E147 L148E147-K150 VanDerWaalsContact O-CB 3.3Å; E147-K150 WeakPolarHBondContact O-CB 3.39Å; E147-K150 WeakPolarHBondContact O-CG 3.46Å; E147-K150 PolarHBondContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CE 3.36Å; E147-K150 IonicContact OE1-NZ 2.59Å; E147-K150 PolarHBondContact OE1-NZ 3.28Å; E147-K150 WeakPolarHBondContact OE2-CD 3.49Å; E147-K150 VanDerWaalsContact OE2-CE 3.24Å; E147-K150 WeakPolarHBondContact OE2-CE 3.3Å; E147-K150 IonicContact OE2-NZ 3.98Å; E147-K150 PolarHBondContact OE2-NZ 3.5Å; L148-K150 PolarHBondContact O-N 3.42Å
151H93.3Very high97.2Very high147 Ų14743.7 Ų43.768%0.68121%0.207SC*.G310 helixtrans-88.8-13.7175.7-58.5-61.7000113.3L148 M149L148-H151 PolarHBondContact O-N 2.93Å; M149-H151 PolarHBondContact O-N 2.93Å; M149-H151 VanDerWaalsContact O-N 3.16Å
152V95.6Very high97.1Very high11 Ų1144.2 Ų44.27%0.06720%0.2CC..  trans-78.7121.4176174.70000109.1T101 M149 F154 V156 N181T101-V152 HydrophobicContact CG2-CG2 4.39Å; M149-V152 HydrophobicContact CE-CB 4.2Å; M149-V152 HydrophobicContact CE-CG1 4.21Å; M149-V152 HydrophobicContact CE-CG2 4.25Å; M149-V152 WeakPolarHBondContact O-CB 3.44Å; M149-V152 PolarHBondContact O-N 2.94Å; M149-V152 HydrophobicContact SD-CB 4.38Å; M149-V152 HydrophobicContact SD-CG2 3.85Å; V152-F154 HydrophobicContact CG1-CD1 4.21Å; V152-F154 HydrophobicContact CG1-CD2 3.63Å; V152-F154 HydrophobicContact CG1-CE1 3.92Å; V152-F154 HydrophobicContact CG1-CE2 3.29Å; V152-F154 HydrophobicContact CG1-CG 4.09Å; V152-F154 HydrophobicContact CG1-CZ 3.46Å; V152-F154 VanDerWaalsContact CG1-CZ 3.46Å; V152-F154 HydrophobicContact CG2-CZ 4.44Å; V152-V156 HydrophobicContact CG1-CG2 4.08Å; V152-N181 PolarHBondContact O-ND2 3.35Å
153R95.1Very high97Very high214 Ų21451.5 Ų51.581%0.80823%0.228SC*.  trans-107.4-13.6-175.3-60.3-59.5-172.4175-0.9114.7
154F97.8Very high96.7Very high37 Ų3752.3 Ų52.316%0.16223%0.23CC..SBendtrans-88.2158.6179.448.6-106.7000112.3V100 I108 S109 A111 V152 N181V100-F154 HydrophobicContact CB-CE2 4.4Å; V100-F154 HydrophobicContact CB-CZ 3.94Å; V100-F154 HydrophobicContact CG1-CE2 4.41Å; V100-F154 HydrophobicContact CG1-CZ 4.16Å; I108-F154 HydrophobicContact CB-CE1 4.11Å; I108-F154 HydrophobicContact CG2-CD1 4.19Å; I108-F154 HydrophobicContact CG2-CE1 3.5Å; I108-F154 HydrophobicContact CG2-CE2 4.18Å; I108-F154 HydrophobicContact CG2-CZ 3.48Å; I108-F154 VanDerWaalsContact CG2-CZ 3.48Å; I108-F154 WeakPolarHBondContact O-CD1 3.2Å; S109-F154 VanDerWaalsContact C-CB 3.45Å; S109-F154 WeakPolarHBondContact O-CB 3.21Å; A111-F154 HydrophobicContact CB-CE2 3.94Å; V152-F154 HydrophobicContact CG1-CD1 4.21Å; V152-F154 HydrophobicContact CG1-CD2 3.63Å; V152-F154 HydrophobicContact CG1-CE1 3.92Å; V152-F154 HydrophobicContact CG1-CE2 3.29Å; V152-F154 HydrophobicContact CG1-CG 4.09Å; V152-F154 HydrophobicContact CG1-CZ 3.46Å; V152-F154 VanDerWaalsContact CG1-CZ 3.46Å; V152-F154 HydrophobicContact CG2-CZ 4.44Å; F154-N181 PolarHBondContact O-ND2 3.24Å
155P98.4Very high96.4Very high42 Ų4254.9 Ų54.927%0.27325%0.248SC..  trans-59.7142.5-179-24.335.4000114.1G110 A111 F213 I217G110-P155 VanDerWaalsContact CA-O 3.28Å; G110-P155 WeakPolarHBondContact CA-O 3.05Å; A111-P155 PolarHBondContact N-O 3.05Å; P155-F213 HydrophobicContact CB-CE2 3.98Å; P155-I217 HydrophobicContact CB-CD1 3.99Å; P155-I217 HydrophobicContact CG-CD1 3.7Å
156V98.8Very high96.3Very high0 Ų056.4 Ų56.40%026%0.262CS..EExtended strand (participates in β ladder)trans-124.5111.4179.6-175.90000109.4A111 L113 M149 V152 I158 V179 N181 A182 Q183A111-V156 HydrophobicContact CB-CB 4.46Å; A111-V156 HydrophobicContact CB-CG1 4.05Å; A111-V156 HydrophobicContact CB-CG2 4.24Å; A111-V156 CarbonylContact O-C 3.6Å; A111-V156 WeakPolarHBondContact O-CA 3.35Å; L113-V156 HydrophobicContact CD1-CG1 3.81Å; L113-V156 HydrophobicContact CG-CG1 4.28Å; M149-V156 HydrophobicContact CE-CB 4.46Å; M149-V156 HydrophobicContact CE-CG1 4.14Å; M149-V156 HydrophobicContact CE-CG2 3.68Å; V152-V156 HydrophobicContact CG1-CG2 4.08Å; V156-I158 HydrophobicContact CG1-CD1 4.46Å; V156-I158 HydrophobicContact CG1-CG1 3.94Å; V156-V179 HydrophobicContact CB-CG1 4.14Å; V156-V179 HydrophobicContact CG1-CG1 4.45Å; V156-V179 HydrophobicContact CG2-CG1 4.1Å; V156-N181 PolarHBondContact N-O 2.99Å; V156-N181 VanDerWaalsContact N-O 3.15Å; V156-A182 CarbonylContact O-C 3.52Å; V156-A182 WeakPolarHBondContact O-CA 3.3Å; V156-Q183 PolarHBondContact O-N 3.41Å
157L98.8Very high96.2Very high1 Ų159.3 Ų59.31%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-83.9114.6170.7173.757000109.3A111 Y112 L113 Q183 K185 F210 F213A111-L157 PolarHBondContact O-N 3.36Å; Y112-L157 HydrophobicContact CD2-CB 4.12Å; Y112-L157 HydrophobicContact CD2-CD2 3.62Å; Y112-L157 HydrophobicContact CD2-CG 3.78Å; Y112-L157 HydrophobicContact CE2-CD2 3.78Å; Y112-L157 HydrophobicContact CE2-CG 4.07Å; L113-L157 PolarHBondContact N-O 2.95Å; L157-Q183 WeakPolarHBondContact CA-O 3.49Å; L157-Q183 HydrophobicContact CD1-CB 4.32Å; L157-Q183 VanDerWaalsContact CD1-O 3.22Å; L157-Q183 WeakPolarHBondContact CD1-O 3.19Å; L157-K185 HydrophobicContact CD1-CB 4.22Å; L157-K185 HydrophobicContact CD1-CG 3.69Å; L157-F210 HydrophobicContact CD2-CD2 4.17Å; L157-F213 HydrophobicContact CB-CB 4.3Å; L157-F213 HydrophobicContact CB-CD1 3.9Å; L157-F213 HydrophobicContact CB-CD2 3.6Å; L157-F213 HydrophobicContact CB-CE1 4.09Å; L157-F213 HydrophobicContact CB-CE2 3.79Å; L157-F213 HydrophobicContact CB-CG 3.65Å; L157-F213 HydrophobicContact CB-CZ 4.04Å; L157-F213 HydrophobicContact CD2-CB 3.65Å; L157-F213 HydrophobicContact CD2-CD1 3.94Å; L157-F213 HydrophobicContact CD2-CG 3.79Å; L157-F213 HydrophobicContact CG-CG 4.34Å
158I98.7Very high96.1Very high0 Ų055.8 Ų55.80%026%0.259CS..EExtended strand (participates in β ladder)trans-103.8112.6172.9-59171.6000107L113 V156 F175 V179 A182 Q183 Y184 K185L113-I158 WeakPolarHBondContact O-CA 3.25Å; V156-I158 HydrophobicContact CG1-CD1 4.46Å; V156-I158 HydrophobicContact CG1-CG1 3.94Å; I158-F175 HydrophobicContact CD1-CD1 3.66Å; I158-F175 HydrophobicContact CD1-CE1 3.54Å; I158-F175 HydrophobicContact CD1-CZ 4.31Å; I158-F175 HydrophobicContact CG1-CD1 4.3Å; I158-F175 HydrophobicContact CG1-CE1 3.99Å; I158-F175 HydrophobicContact CG2-CD1 4.47Å; I158-V179 HydrophobicContact CD1-CB 4.35Å; I158-V179 HydrophobicContact CD1-CG2 4.33Å; I158-A182 HydrophobicContact CD1-CB 3.83Å; I158-Q183 PolarHBondContact N-O 3.21Å; I158-Y184 HydrophobicContact CB-CD2 4.03Å; I158-Y184 HydrophobicContact CG2-CD2 3.8Å; I158-Y184 HydrophobicContact CG2-CE2 4.12Å; I158-K185 PolarHBondContact O-N 3.19Å
159A98.3Very high96.1Very high0 Ų054.5 Ų54.50%025%0.25CS..EExtended strand (participates in β ladder)trans-106.9109.5-175.600000109.7Y112 L113 A115 Y187 I195Y112-A159 HydrophobicContact CE2-CB 3.89Å; L113-A159 PolarHBondContact O-N 3.33Å; A115-A159 PolarHBondContact N-O 3.19Å; A159-Y187 HydrophobicContact CB-CE2 3.92Å; A159-I195 HydrophobicContact CB-CD1 3.96Å
160C97.9Very high96.1Very high1 Ų158.1 Ų58.11%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-111.2137.5-173.3-1730000111.5N172 Y184 K185 E186 Y187C160-N172 HydrophobicContact CB-CB 4.04Å; C160-N172 VanDerWaalsContact SG-CB 3.6Å; C160-Y184 HydrophobicContact CB-CE2 3.57Å; C160-Y184 WeakPolarHBondContact CB-OH 3.39Å; C160-Y184 PolarHBondContact SG-OH 3.35Å; C160-K185 PolarHBondContact N-O 3.47Å; C160-E186 CarbonylContact O-C 3.47Å; C160-E186 WeakPolarHBondContact O-CA 3.45Å; C160-Y187 WeakPolarHBondContact O-CD2 3.25Å; C160-Y187 PolarHBondContact O-N 3.2Å
161C97.2Very high96.3Very high1 Ų153.3 Ų53.31%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-100.4134.6178.2-62.30000109.9E164 E190 D191C161-E164 HydrophobicContact CB-CB 4.13Å; C161-E164 VanDerWaalsContact O-CB 3.24Å; C161-E164 WeakPolarHBondContact O-CB 3.3Å; C161-E190 WeakPolarHBondContact CB-O 3.37Å; C161-D191 PolarHBondContact SG-O 2.83Å
162R95.6Very high96.5Very high94 Ų9446.4 Ų46.436%0.35521%0.214SC..EExtended strand (participates in β ladder)trans-79.3-32.2176.2-85-83.8-171.1-154.7-14.4113E164 Y169 E186 Y187 E188 E190R162-E164 PolarHBondContact O-N 3.37Å; R162-E164 VanDerWaalsContact O-N 3.12Å; R162-Y169 HydrophobicContact CG-CE2 4.47Å; R162-Y169 VanDerWaalsContact CZ-CZ 3.43Å; R162-Y169 PolarHBondContact NH1-OH 2.98Å; R162-Y169 PolarHBondContact NH2-OH 2.75Å; R162-E186 HydrophobicContact CG-CG 3.78Å; R162-E186 IonicContact CZ-OE1 3.22Å; R162-E186 IonicContact CZ-OE2 3.36Å; R162-E186 VanDerWaalsContact CZ-OE2 3.3Å; R162-E186 IonicContact NE-OE1 2.66Å; R162-E186 PolarHBondContact NE-OE1 3.3Å; R162-E186 IonicContact NE-OE2 3.73Å; R162-E186 PolarHBondContact NE-OE2 2.87Å; R162-E186 IonicContact NH2-OE1 2.85Å; R162-E186 PolarHBondContact NH2-OE1 3.11Å; R162-E186 IonicContact NH2-OE2 3.33Å; R162-E186 PolarHBondContact NH2-OE2 3Å; R162-Y187 WeakPolarHBondContact CB-O 3.14Å; R162-Y187 PolarHBondContact N-O 3.49Å; R162-Y187 VanDerWaalsContact N-O 3.08Å; R162-E188 IonicContact NE-OE1 3.79Å; R162-E188 PolarHBondContact NE-OE1 3.37Å; R162-E188 IonicContact NE-OE2 3.59Å; R162-E190 PolarHBondContact N-O 3.13Å
163R96.2Very high96.6Very high156 Ų15649.4 Ų49.459%0.58923%0.228SC*.EExtended strand (participates in β ladder)trans-89.855.7178.2-58.5-178.8179.6173.3-1.9110.7N189 E190 D191R163-N189 WeakPolarHBondContact CD-O 3.35Å; R163-N189 PolarHBondContact NH1-O 2.76Å; R163-N189 PolarHBondContact NH2-OD1 3.14Å; R163-N189 VanDerWaalsContact NH2-OD1 3.12Å; R163-E190 WeakPolarHBondContact CB-O 3.12Å; R163-E190 PolarHBondContact N-O 3.35Å; R163-D191 HydrophobicContact CB-CB 3.98Å; R163-D191 VanDerWaalsContact O-CA 3.25Å; R163-D191 WeakPolarHBondContact O-CA 3.49Å; R163-D191 WeakPolarHBondContact O-CB 3.36Å
164E93Very high96.6Very high30 Ų3042.6 Ų42.614%0.1421%0.208CC..SBendtrans-121.3164.3-171.1-18077.6-69.500109.7A115 C161 R162 L168 H192A115-E164 WeakPolarHBondContact CB-OE2 3.43Å; C161-E164 HydrophobicContact CB-CB 4.13Å; C161-E164 VanDerWaalsContact O-CB 3.24Å; C161-E164 WeakPolarHBondContact O-CB 3.3Å; R162-E164 PolarHBondContact O-N 3.37Å; R162-E164 VanDerWaalsContact O-N 3.12Å; E164-L168 HydrophobicContact CG-CB 3.52Å; E164-L168 HydrophobicContact CG-CD1 4.15Å; E164-L168 HydrophobicContact CG-CG 4.48Å; E164-H192 VanDerWaalsContact OE1-CB 3.22Å; E164-H192 WeakPolarHBondContact OE1-CB 3.49Å; E164-H192 IonicContact OE1-CG 3.36Å; E164-H192 IonicContact OE1-ND1 2.77Å; E164-H192 PolarHBondContact OE1-ND1 3.37Å; E164-H192 IonicContact OE2-CE1 3.82Å; E164-H192 IonicContact OE2-CG 2.83Å; E164-H192 IonicContact OE2-ND1 2.91Å; E164-H192 PolarHBondContact OE2-ND1 2.96Å
165S92.4Very high96.6Very high54 Ų5440.9 Ų40.938%0.37820%0.2SC..  trans-53.8135.8166.678.10000110.5K167 L168 Y169S165-K167 PolarHBondContact O-N 2.91Å; S165-L168 PolarHBondContact O-N 3.31Å; S165-L168 WeakPolarHBondContact OG-CB 3.24Å; S165-L168 WeakPolarHBondContact OG-CD1 3.13Å; S165-L168 WeakPolarHBondContact OG-CG 3.03Å; S165-L168 PolarHBondContact OG-N 2.94Å; S165-Y169 PolarHBondContact O-N 3.27Å; S165-Y169 VanDerWaalsContact O-N 3.07Å
166P94.8Very high96.5Very high110 Ų11039.8 Ų39.871%0.71419%0.194SC*.Hα-helixtrans-54.7-34.7-174-29.935.4000113.7Q170P166-Q170 WeakPolarHBondContact O-CB 3.44Å; P166-Q170 PolarHBondContact O-N 3.4Å
167K93.8Very high96.4Very high90 Ų9043.8 Ų43.839%0.39122%0.222SC..Hα-helixtrans-71.6-40.2-179.5-168.268.4-173.2-166.90112.9E122 S165 Q171E122-K167 VanDerWaalsContact CD-CE 3.4Å; E122-K167 VanDerWaalsContact CD-NZ 3.32Å; E122-K167 VanDerWaalsContact OE1-CE 3.24Å; E122-K167 WeakPolarHBondContact OE1-CE 3.41Å; E122-K167 IonicContact OE1-NZ 2.63Å; E122-K167 PolarHBondContact OE1-NZ 3.02Å; E122-K167 WeakPolarHBondContact OE2-CD 3.3Å; E122-K167 WeakPolarHBondContact OE2-CE 3.48Å; E122-K167 WeakPolarHBondContact OE2-CG 3.42Å; E122-K167 IonicContact OE2-NZ 2.76Å; E122-K167 PolarHBondContact OE2-NZ 2.97Å; S165-K167 PolarHBondContact O-N 2.91Å; K167-Q171 WeakPolarHBondContact O-CB 3.34Å; K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.39Å; K167-Q171 PolarHBondContact O-N 3.45Å
168L94.8Very high96.2Very high16 Ų1647.9 Ų47.98%0.08424%0.241CC..Hα-helixtrans-65.8-45175-71.2177.1000110.7I117 E164 S165 Q170 Q171 N172I117-L168 HydrophobicContact CB-CD2 3.5Å; I117-L168 HydrophobicContact CD1-CD2 4.05Å; I117-L168 HydrophobicContact CG1-CD2 3.92Å; E164-L168 HydrophobicContact CG-CB 3.52Å; E164-L168 HydrophobicContact CG-CD1 4.15Å; E164-L168 HydrophobicContact CG-CG 4.48Å; S165-L168 PolarHBondContact O-N 3.31Å; S165-L168 WeakPolarHBondContact OG-CB 3.24Å; S165-L168 WeakPolarHBondContact OG-CD1 3.13Å; S165-L168 WeakPolarHBondContact OG-CG 3.03Å; S165-L168 PolarHBondContact OG-N 2.94Å; L168-Q170 PolarHBondContact O-N 3.42Å; L168-Q171 PolarHBondContact O-N 2.84Å; L168-N172 PolarHBondContact O-N 2.64Å; L168-N172 PolarHBondContact O-ND2 3.14Å
169Y97Very high96Very high29 Ų2948.2 Ų48.211%0.11424%0.242CC..Hα-helixtrans-55.4-52.1174.8170.6-94.6000111R162 S165 Q171 N172 Q173 E186R162-Y169 HydrophobicContact CG-CE2 4.47Å; R162-Y169 VanDerWaalsContact CZ-CZ 3.43Å; R162-Y169 PolarHBondContact NH1-OH 2.98Å; R162-Y169 PolarHBondContact NH2-OH 2.75Å; S165-Y169 PolarHBondContact O-N 3.27Å; S165-Y169 VanDerWaalsContact O-N 3.07Å; Y169-Q171 PolarHBondContact O-N 2.85Å; Y169-N172 PolarHBondContact O-N 2.83Å; Y169-Q173 PolarHBondContact O-N 3.02Å; Y169-Q173 VanDerWaalsContact OH-CD 3.31Å; Y169-Q173 PolarHBondContact OH-NE2 3.44Å; Y169-Q173 PolarHBondContact OH-OE1 2.92Å; Y169-E186 HydrophobicContact CE2-CG 4.45Å; Y169-E186 WeakPolarHBondContact CE2-OE2 3.24Å; Y169-E186 PolarHBondContact OH-OE2 3.14Å
170Q97.2Very high95.7Very high78 Ų7853.6 Ų53.636%0.36429%0.287SS..Hα-helixtrans-56.9-46.3177.8-174.564.955.500112P166 L168 N172 Q173 D174P166-Q170 WeakPolarHBondContact O-CB 3.44Å; P166-Q170 PolarHBondContact O-N 3.4Å; L168-Q170 PolarHBondContact O-N 3.42Å; Q170-N172 VanDerWaalsContact C-N 3.35Å; Q170-N172 PolarHBondContact O-N 3.36Å; Q170-Q173 PolarHBondContact O-N 3.31Å; Q170-D174 PolarHBondContact NE2-OD1 3.16Å; Q170-D174 PolarHBondContact NE2-OD2 3.33Å; Q170-D174 WeakPolarHBondContact O-CB 3.29Å; Q170-D174 VanDerWaalsContact O-CG 3.24Å; Q170-D174 PolarHBondContact O-N 3.45Å
171Q97.6Very high95.5Very high9 Ų955.3 Ų55.34%0.04230%0.296CS..Hα-helixtrans-63-38.6-179.6-76.7-168.742.700113Y118 K119 K167 L168 Y169 F175Y118-Q171 HydrophobicContact CD2-CB 4.33Å; K119-Q171 PolarHBondContact O-NE2 2.76Å; K119-Q171 PolarHBondContact O-OE1 3.44Å; K167-Q171 WeakPolarHBondContact O-CB 3.34Å; K167-Q171 VanDerWaalsContact O-CG 3.3Å; K167-Q171 WeakPolarHBondContact O-CG 3.39Å; K167-Q171 PolarHBondContact O-N 3.45Å; L168-Q171 PolarHBondContact O-N 2.84Å; Y169-Q171 PolarHBondContact O-N 2.85Å; Q171-F175 WeakPolarHBondContact O-CB 3.43Å; Q171-F175 PolarHBondContact O-N 3.15Å
172N97.6Very high95.5Very high1 Ų156.7 Ų56.71%0.00531%0.308CS..Hα-helixtrans-69.4-37.9177.1-77.3-91.9000111.4G116 C160 L168 Y169 Q170 S176G116-N172 PolarHBondContact N-ND2 3.04Å; G116-N172 PolarHBondContact N-OD1 3.03Å; G116-N172 VanDerWaalsContact N-OD1 3.14Å; G116-N172 PolarHBondContact O-ND2 3.2Å; C160-N172 HydrophobicContact CB-CB 4.04Å; C160-N172 VanDerWaalsContact SG-CB 3.6Å; L168-N172 PolarHBondContact O-N 2.64Å; L168-N172 PolarHBondContact O-ND2 3.14Å; Y169-N172 PolarHBondContact O-N 2.83Å; Q170-N172 VanDerWaalsContact C-N 3.35Å; Q170-N172 PolarHBondContact O-N 3.36Å; N172-S176 WeakPolarHBondContact O-CB 3.34Å; N172-S176 PolarHBondContact O-N 2.71Å
173Q96.8Very high95.6Very high74 Ų7455.7 Ų55.735%0.34631%0.307SS..Hα-helixtrans-63.9-51.8174.4-168.9175.229.700111.1Y169 Q170 F175 S176 S177Y169-Q173 PolarHBondContact O-N 3.02Å; Y169-Q173 VanDerWaalsContact OH-CD 3.31Å; Y169-Q173 PolarHBondContact OH-NE2 3.44Å; Y169-Q173 PolarHBondContact OH-OE1 2.92Å; Q170-Q173 PolarHBondContact O-N 3.31Å; Q173-F175 VanDerWaalsContact C-N 3.35Å; Q173-F175 PolarHBondContact O-N 2.98Å; Q173-S176 PolarHBondContact O-N 3.23Å; Q173-S176 PolarHBondContact O-OG 3.39Å; Q173-S177 PolarHBondContact O-N 3.16Å
174D96.6Very high95.7Very high72 Ų7251.4 Ų51.439%0.38529%0.291SS..Hα-helixtrans-57.7-49177.5-69.3-16.9000110.8Q170 S176 S177Q170-D174 PolarHBondContact NE2-OD1 3.16Å; Q170-D174 PolarHBondContact NE2-OD2 3.33Å; Q170-D174 WeakPolarHBondContact O-CB 3.29Å; Q170-D174 VanDerWaalsContact O-CG 3.24Å; Q170-D174 PolarHBondContact O-N 3.45Å; D174-S176 VanDerWaalsContact C-N 3.33Å; D174-S176 PolarHBondContact O-N 3.45Å; D174-S177 PolarHBondContact O-N 3.34Å; D174-S177 PolarHBondContact O-OG 3.25Å
175F97.6Very high96Very high0 Ų053.3 Ų53.30%030%0.299CS..Hα-helixtrans-59.2-44.6179.6175.9-127.8000111.8F97 L113 Y118 Y146 M149 I158 Q171 Q173 S177 Q178 V179F97-F175 AromaticContact CD2-CE2 3.9Å; F97-F175 HydrophobicContact CD2-CE2 3.9Å; F97-F175 AromaticContact CD2-CZ 3.68Å; F97-F175 HydrophobicContact CD2-CZ 3.68Å; F97-F175 AromaticContact CE2-CE2 3.54Å; F97-F175 HydrophobicContact CE2-CE2 3.54Å; F97-F175 AromaticContact CE2-CZ 3.78Å; F97-F175 HydrophobicContact CE2-CZ 3.78Å; L113-F175 HydrophobicContact CD1-CE1 3.51Å; L113-F175 HydrophobicContact CD1-CZ 3.82Å; Y118-F175 HydrophobicContact CD2-CB 4.06Å; Y118-F175 HydrophobicContact CD2-CD1 4.19Å; Y118-F175 HydrophobicContact CD2-CG 4.16Å; Y118-F175 HydrophobicContact CE1-CD1 4.03Å; Y118-F175 AromaticContact CE1-CE1 3.99Å; Y118-F175 HydrophobicContact CE1-CE1 3.99Å; Y118-F175 HydrophobicContact CE2-CB 4.02Å; Y118-F175 AromaticContact CE2-CD1 3.54Å; Y118-F175 HydrophobicContact CE2-CD1 3.54Å; Y118-F175 HydrophobicContact CE2-CE1 4.31Å; Y118-F175 AromaticContact CE2-CG 3.95Å; Y118-F175 HydrophobicContact CE2-CG 3.95Å; Y118-F175 AromaticContact CZ-CD1 3.43Å; Y118-F175 VanDerWaalsContact CZ-CD1 3.43Å; Y118-F175 AromaticContact CZ-CE1 3.74Å; Y146-F175 AromaticContact CD1-CD2 3.39Å; Y146-F175 HydrophobicContact CD1-CD2 3.39Å; Y146-F175 AromaticContact CD1-CE2 3.85Å; Y146-F175 HydrophobicContact CD1-CE2 3.85Å; Y146-F175 HydrophobicContact CD1-CG 4.37Å; Y146-F175 HydrophobicContact CD2-CD2 4.36Å; Y146-F175 HydrophobicContact CE1-CB 4.05Å; Y146-F175 AromaticContact CE1-CD2 3.4Å; Y146-F175 HydrophobicContact CE1-CD2 3.4Å; Y146-F175 VanDerWaalsContact CE1-CD2 3.4Å; Y146-F175 HydrophobicContact CE1-CE2 4.15Å; Y146-F175 AromaticContact CE1-CG 3.95Å; Y146-F175 HydrophobicContact CE1-CG 3.95Å; Y146-F175 HydrophobicContact CE2-CB 4.19Å; Y146-F175 HydrophobicContact CE2-CD2 4.38Å; Y146-F175 AromaticContact CG-CD2 3.9Å; Y146-F175 HydrophobicContact CG-CD2 3.9Å; Y146-F175 HydrophobicContact CG-CE2 4.48Å; Y146-F175 AromaticContact CZ-CD2 3.94Å; M149-F175 HydrophobicContact CE-CZ 4.19Å; M149-F175 HydrophobicContact CG-CE2 3.82Å; M149-F175 HydrophobicContact CG-CZ 4.09Å; M149-F175 HydrophobicContact SD-CZ 4.38Å; I158-F175 HydrophobicContact CD1-CD1 3.66Å; I158-F175 HydrophobicContact CD1-CE1 3.54Å; I158-F175 HydrophobicContact CD1-CZ 4.31Å; I158-F175 HydrophobicContact CG1-CD1 4.3Å; I158-F175 HydrophobicContact CG1-CE1 3.99Å; I158-F175 HydrophobicContact CG2-CD1 4.47Å; Q171-F175 WeakPolarHBondContact O-CB 3.43Å; Q171-F175 PolarHBondContact O-N 3.15Å; Q173-F175 VanDerWaalsContact C-N 3.35Å; Q173-F175 PolarHBondContact O-N 2.98Å; F175-S177 PolarHBondContact O-N 2.94Å; F175-Q178 PolarHBondContact O-N 3.23Å; F175-V179 HydrophobicContact CD2-CG2 3.91Å; F175-V179 HydrophobicContact CE1-CG2 4.26Å; F175-V179 HydrophobicContact CE2-CG2 3.3Å; F175-V179 HydrophobicContact CZ-CG2 3.52Å
176S96.9Very high96.2Very high20 Ų2053.4 Ų53.414%0.1429%0.293CS..Hα-helixtrans-58.5-35-179.675.90000113.3N172 Q173 D174 Q178 V179N172-S176 WeakPolarHBondContact O-CB 3.34Å; N172-S176 PolarHBondContact O-N 2.71Å; Q173-S176 PolarHBondContact O-N 3.23Å; Q173-S176 PolarHBondContact O-OG 3.39Å; D174-S176 VanDerWaalsContact C-N 3.33Å; D174-S176 PolarHBondContact O-N 3.45Å; S176-Q178 PolarHBondContact O-N 2.83Å; S176-V179 PolarHBondContact O-N 3.49Å
177S95.2Very high96.4Very high84 Ų8448.6 Ų48.659%0.58726%0.261SS*.Hα-helixtrans-68.2-20.8178.276.10000113.5Q173 D174 F175Q173-S177 PolarHBondContact O-N 3.16Å; D174-S177 PolarHBondContact O-N 3.34Å; D174-S177 PolarHBondContact O-OG 3.25Å; F175-S177 PolarHBondContact O-N 2.94Å
178Q94.3Very high96.5Very high87 Ų8749.7 Ų49.741%0.40727%0.268SS..Hα-helixtrans-92.8-8.8-178-57.2-58.8-42.800113.2Y146 F175 S176Y146-Q178 HydrophobicContact CD2-CB 4.47Å; Y146-Q178 HydrophobicContact CD2-CG 4Å; F175-Q178 PolarHBondContact O-N 3.23Å; S176-Q178 PolarHBondContact O-N 2.83Å
179V95.3Very high96.5Very high6 Ų653.9 Ų53.94%0.03629%0.29CS..  trans-109.6101.1-174.1-179.10000109.7M149 V156 I158 F175 S176 N181 A182M149-V179 HydrophobicContact CB-CG2 3.89Å; M149-V179 HydrophobicContact CE-CG1 3.73Å; M149-V179 HydrophobicContact CE-CG2 4Å; M149-V179 HydrophobicContact CG-CG2 3.92Å; V156-V179 HydrophobicContact CB-CG1 4.14Å; V156-V179 HydrophobicContact CG1-CG1 4.45Å; V156-V179 HydrophobicContact CG2-CG1 4.1Å; I158-V179 HydrophobicContact CD1-CB 4.35Å; I158-V179 HydrophobicContact CD1-CG2 4.33Å; F175-V179 HydrophobicContact CD2-CG2 3.91Å; F175-V179 HydrophobicContact CE1-CG2 4.26Å; F175-V179 HydrophobicContact CE2-CG2 3.3Å; F175-V179 HydrophobicContact CZ-CG2 3.52Å; S176-V179 PolarHBondContact O-N 3.49Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.44Å; V179-N181 PolarHBondContact O-N 3.19Å; V179-N181 VanDerWaalsContact O-N 3.11Å; V179-A182 HydrophobicContact CB-CB 3.9Å; V179-A182 HydrophobicContact CG1-CB 3.92Å; V179-A182 WeakPolarHBondContact O-CB 3.34Å; V179-A182 PolarHBondContact O-N 2.73Å
180A92.6Very high96.6Very high113 Ų11353.7 Ų53.793%0.93429%0.29SS*.THydrogen-bonded Turntrans-59.7-27.9-172.600000114.7
181N94Very high96.5Very high38 Ų3852.7 Ų52.720%0.20329%0.287CS..THydrogen-bonded Turntrans-103.219.9179.749.7-16.2000112.8V152 F154 V156 V179V152-N181 PolarHBondContact O-ND2 3.35Å; F154-N181 PolarHBondContact O-ND2 3.24Å; V156-N181 PolarHBondContact N-O 2.99Å; V156-N181 VanDerWaalsContact N-O 3.15Å; V179-N181 WeakPolarHBondContact CG1-OD1 3.44Å; V179-N181 PolarHBondContact O-N 3.19Å; V179-N181 VanDerWaalsContact O-N 3.11Å
182A96.6Very high96.4Very high30 Ų3053.3 Ų53.325%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-71.3128.417600000111.7V156 I158 V179V156-A182 CarbonylContact O-C 3.52Å; V156-A182 WeakPolarHBondContact O-CA 3.3Å; I158-A182 HydrophobicContact CD1-CB 3.83Å; V179-A182 HydrophobicContact CB-CB 3.9Å; V179-A182 HydrophobicContact CG1-CB 3.92Å; V179-A182 WeakPolarHBondContact O-CB 3.34Å; V179-A182 PolarHBondContact O-N 2.73Å
183Q97.9Very high96.3Very high73 Ų7360.1 Ų60.134%0.34132%0.32SS..EExtended strand (participates in β ladder)trans-91.986.4155-60.4-18014.800106.1V156 L157 I158V156-Q183 PolarHBondContact O-N 3.41Å; L157-Q183 WeakPolarHBondContact CA-O 3.49Å; L157-Q183 HydrophobicContact CD1-CB 4.32Å; L157-Q183 VanDerWaalsContact CD1-O 3.22Å; L157-Q183 WeakPolarHBondContact CD1-O 3.19Å; I158-Q183 PolarHBondContact N-O 3.21Å
184Y98.2Very high96.3Very high65 Ų6558.7 Ų58.726%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-78.3126.7178.2-178.5-112.4000110.2I158 C160 E186I158-Y184 HydrophobicContact CB-CD2 4.03Å; I158-Y184 HydrophobicContact CG2-CD2 3.8Å; I158-Y184 HydrophobicContact CG2-CE2 4.12Å; C160-Y184 HydrophobicContact CB-CE2 3.57Å; C160-Y184 WeakPolarHBondContact CB-OH 3.39Å; C160-Y184 PolarHBondContact SG-OH 3.35Å; Y184-E186 HydrophobicContact CE1-CB 3.99Å; Y184-E186 PolarHBondContact OH-OE2 3.36Å
185K98.4Very high96.3Very high71 Ų7155.3 Ų55.331%0.30930%0.298SS..EExtended strand (participates in β ladder)trans-126.8131.5176.2-64.8-60.9-170.2137.30109.3L157 I158 C160 Y187 D209L157-K185 HydrophobicContact CD1-CB 4.22Å; L157-K185 HydrophobicContact CD1-CG 3.69Å; I158-K185 PolarHBondContact O-N 3.19Å; C160-K185 PolarHBondContact N-O 3.47Å; K185-Y187 HydrophobicContact CB-CE1 4.31Å; K185-Y187 HydrophobicContact CB-CE2 4.07Å; K185-D209 WeakPolarHBondContact CD-OD2 3.48Å; K185-D209 WeakPolarHBondContact CE-OD1 3.15Å; K185-D209 VanDerWaalsContact CE-OD2 3.29Å; K185-D209 WeakPolarHBondContact CE-OD2 3.44Å; K185-D209 HydrophobicContact CG-CB 4.29Å; K185-D209 IonicContact NZ-OD1 2.63Å; K185-D209 PolarHBondContact NZ-OD1 3.37Å; K185-D209 IonicContact NZ-OD2 2.66Å; K185-D209 PolarHBondContact NZ-OD2 3.28Å
186E97.8Very high96.1Very high55 Ų5556.4 Ų56.426%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-122.5131.2-179.6-170.4-174.287.700108.9C160 R162 Y169 Y184C160-E186 CarbonylContact O-C 3.47Å; C160-E186 WeakPolarHBondContact O-CA 3.45Å; R162-E186 HydrophobicContact CG-CG 3.78Å; R162-E186 IonicContact CZ-OE1 3.22Å; R162-E186 IonicContact CZ-OE2 3.36Å; R162-E186 VanDerWaalsContact CZ-OE2 3.3Å; R162-E186 IonicContact NE-OE1 2.66Å; R162-E186 PolarHBondContact NE-OE1 3.3Å; R162-E186 IonicContact NE-OE2 3.73Å; R162-E186 PolarHBondContact NE-OE2 2.87Å; R162-E186 IonicContact NH2-OE1 2.85Å; R162-E186 PolarHBondContact NH2-OE1 3.11Å; R162-E186 IonicContact NH2-OE2 3.33Å; R162-E186 PolarHBondContact NH2-OE2 3Å; Y169-E186 HydrophobicContact CE2-CG 4.45Å; Y169-E186 WeakPolarHBondContact CE2-OE2 3.24Å; Y169-E186 PolarHBondContact OH-OE2 3.14Å; Y184-E186 HydrophobicContact CE1-CB 3.99Å; Y184-E186 PolarHBondContact OH-OE2 3.36Å
187Y97.9Very high96.1Very high10 Ų1059 Ų594%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-116.9106-173.7-52.7-73.6000110.7A159 C160 R162 K185 N189 E190 I195 I205 V206 D209A159-Y187 HydrophobicContact CB-CE2 3.92Å; C160-Y187 WeakPolarHBondContact O-CD2 3.25Å; C160-Y187 PolarHBondContact O-N 3.2Å; R162-Y187 WeakPolarHBondContact CB-O 3.14Å; R162-Y187 PolarHBondContact N-O 3.49Å; R162-Y187 VanDerWaalsContact N-O 3.08Å; K185-Y187 HydrophobicContact CB-CE1 4.31Å; K185-Y187 HydrophobicContact CB-CE2 4.07Å; Y187-N189 VanDerWaalsContact C-N 3.29Å; Y187-N189 PolarHBondContact O-N 3.36Å; Y187-E190 HydrophobicContact CG-CG 4.36Å; Y187-E190 PolarHBondContact O-N 2.87Å; Y187-I195 HydrophobicContact CD2-CD1 3.69Å; Y187-I195 HydrophobicContact CD2-CG1 4.37Å; Y187-I195 HydrophobicContact CE2-CD1 3.75Å; Y187-I195 HydrophobicContact CE2-CG1 4.48Å; Y187-I205 HydrophobicContact CD1-CG2 3.87Å; Y187-I205 HydrophobicContact CE1-CG2 4.08Å; Y187-V206 HydrophobicContact CD1-CG2 3.71Å; Y187-V206 HydrophobicContact CD2-CG2 4.2Å; Y187-V206 HydrophobicContact CE1-CB 4.27Å; Y187-V206 HydrophobicContact CE1-CG2 3.76Å; Y187-V206 HydrophobicContact CE2-CG1 4.41Å; Y187-V206 HydrophobicContact CE2-CG2 4.25Å; Y187-V206 HydrophobicContact CG-CG2 3.92Å; Y187-D209 WeakPolarHBondContact OH-CB 3.13Å
188E96.2Very high96.2Very high113 Ų11356.4 Ų56.453%0.52830%0.298SS..EExtended strand (participates in β ladder)trans-57.9-34.7-174.4-71.3-62.715400114.6R162R162-E188 IonicContact NE-OE1 3.79Å; R162-E188 PolarHBondContact NE-OE1 3.37Å; R162-E188 IonicContact NE-OE2 3.59Å
189N95.7Very high96.3Very high104 Ų10452.2 Ų52.256%0.55628%0.278SS*.EExtended strand (participates in β ladder)trans-99.5-4.9-174.1-66.7-49.2000114R163 Y187R163-N189 WeakPolarHBondContact CD-O 3.35Å; R163-N189 PolarHBondContact NH1-O 2.76Å; R163-N189 PolarHBondContact NH2-OD1 3.14Å; R163-N189 VanDerWaalsContact NH2-OD1 3.12Å; Y187-N189 VanDerWaalsContact C-N 3.29Å; Y187-N189 PolarHBondContact O-N 3.36Å
190E97.5Very high96.3Very high25 Ų2555.7 Ų55.712%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-98.4143.3-172.6-53.8-50.4138.900112.3C161 R162 R163 Y187 T194 I195 E198 V206C161-E190 WeakPolarHBondContact CB-O 3.37Å; R162-E190 PolarHBondContact N-O 3.13Å; R163-E190 WeakPolarHBondContact CB-O 3.12Å; R163-E190 PolarHBondContact N-O 3.35Å; Y187-E190 HydrophobicContact CG-CG 4.36Å; Y187-E190 PolarHBondContact O-N 2.87Å; E190-T194 WeakPolarHBondContact CA-OG1 3.4Å; E190-T194 WeakPolarHBondContact OE2-CB 3.29Å; E190-T194 PolarHBondContact OE2-OG1 2.85Å; E190-I195 HydrophobicContact CB-CB 4.33Å; E190-E198 VanDerWaalsContact CD-CG 3.45Å; E190-E198 HydrophobicContact CG-CG 4.4Å; E190-E198 VanDerWaalsContact OE2-CG 3.3Å; E190-E198 WeakPolarHBondContact OE2-CG 3.38Å; E190-V206 HydrophobicContact CG-CG2 4.1Å
191D96.7Very high96.5Very high56 Ų5653.9 Ų53.930%0.29927%0.271SS..EExtended strand (participates in β ladder)trans-104.6-177.7168.670.642.4000111.4C161 R163 F193 T194 I195C161-D191 PolarHBondContact SG-O 2.83Å; R163-D191 HydrophobicContact CB-CB 3.98Å; R163-D191 VanDerWaalsContact O-CA 3.25Å; R163-D191 WeakPolarHBondContact O-CA 3.49Å; R163-D191 WeakPolarHBondContact O-CB 3.36Å; D191-F193 PolarHBondContact O-N 3.04Å; D191-F193 VanDerWaalsContact O-N 3.09Å; D191-F193 WeakPolarHBondContact OD1-CA 3.42Å; D191-F193 PolarHBondContact OD1-N 3.36Å; D191-T194 PolarHBondContact N-OG1 3.46Å; D191-T194 WeakPolarHBondContact OD1-CG2 3.48Å; D191-T194 PolarHBondContact OD1-N 3.38Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.29Å; D191-I195 PolarHBondContact O-N 2.88Å
192H95.3Very high96.5Very high22 Ų2257 Ų5710%0.10228%0.284CS..THydrogen-bonded Turntrans-51.2-32.8-179.2-153.571.2000113.7H89 S90 A115 E164H89-H192 PolarHBondContact CE1-O 3.38Å; H89-H192 AromaticContact NE2-CD2 3.74Å; H89-H192 AromaticContact NE2-NE2 3.81Å; H89-H192 PolarHBondContact NE2-O 3.33Å; S90-H192 WeakPolarHBondContact CB-NE2 3.46Å; S90-H192 PolarHBondContact OG-CE1 3.02Å; S90-H192 PolarHBondContact OG-NE2 3.28Å; A115-H192 PolarHBondContact O-CE1 3.08Å; E164-H192 VanDerWaalsContact OE1-CB 3.22Å; E164-H192 WeakPolarHBondContact OE1-CB 3.49Å; E164-H192 IonicContact OE1-CG 3.36Å; E164-H192 IonicContact OE1-ND1 2.77Å; E164-H192 PolarHBondContact OE1-ND1 3.37Å; E164-H192 IonicContact OE2-CE1 3.82Å; E164-H192 IonicContact OE2-CG 2.83Å; E164-H192 IonicContact OE2-ND1 2.91Å; E164-H192 PolarHBondContact OE2-ND1 2.96Å
193F94.6Very high96.5Very high145 Ų14563 Ų6364%0.63631%0.307SS*.THydrogen-bonded Turntrans-109.1-34-172.9-57.8-69.8000112.9D191 I195 L196 T197D191-F193 PolarHBondContact O-N 3.04Å; D191-F193 VanDerWaalsContact O-N 3.09Å; D191-F193 WeakPolarHBondContact OD1-CA 3.42Å; D191-F193 PolarHBondContact OD1-N 3.36Å; F193-I195 PolarHBondContact O-N 3.2Å; F193-L196 PolarHBondContact O-N 2.63Å; F193-L196 VanDerWaalsContact O-N 3.12Å; F193-T197 PolarHBondContact O-N 2.73Å
194T96.2Very high96.5Very high44 Ų4460 Ų6027%0.2729%0.293SS..Hα-helixtrans-63.5-31.7-179.363.30000111.6E190 D191 L196 T197 E198E190-T194 WeakPolarHBondContact CA-OG1 3.4Å; E190-T194 WeakPolarHBondContact OE2-CB 3.29Å; E190-T194 PolarHBondContact OE2-OG1 2.85Å; D191-T194 PolarHBondContact N-OG1 3.46Å; D191-T194 WeakPolarHBondContact OD1-CG2 3.48Å; D191-T194 PolarHBondContact OD1-N 3.38Å; D191-T194 WeakPolarHBondContact OD2-CG2 3.29Å; T194-L196 PolarHBondContact O-N 2.76Å; T194-L196 VanDerWaalsContact O-N 3.16Å; T194-T197 CarbonylContact O-C 3.5Å; T194-T197 WeakPolarHBondContact O-CA 3.39Å; T194-T197 VanDerWaalsContact O-CB 3.31Å; T194-T197 WeakPolarHBondContact O-CB 3.38Å; T194-T197 PolarHBondContact O-N 2.59Å; T194-E198 PolarHBondContact O-N 3.12Å
195I96.4Very high96.5Very high0 Ų061.8 Ų61.80%031%0.307CS..Hα-helixtrans-54.7-36.8174.2-166.4172.1000113.1A159 Y187 E190 D191 F193 L199 V206A159-I195 HydrophobicContact CB-CD1 3.96Å; Y187-I195 HydrophobicContact CD2-CD1 3.69Å; Y187-I195 HydrophobicContact CD2-CG1 4.37Å; Y187-I195 HydrophobicContact CE2-CD1 3.75Å; Y187-I195 HydrophobicContact CE2-CG1 4.48Å; E190-I195 HydrophobicContact CB-CB 4.33Å; D191-I195 PolarHBondContact O-N 2.88Å; F193-I195 PolarHBondContact O-N 3.2Å; I195-L199 PolarHBondContact O-N 3.09Å; I195-V206 HydrophobicContact CD1-CG1 4.36Å; I195-V206 HydrophobicContact CG1-CG1 3.61Å; I195-V206 HydrophobicContact CG1-CG2 4.25Å
196L95.4Very high96.5Very high24 Ų2458.4 Ų58.413%0.12629%0.292CS..Hα-helixtrans-71.2-34.5174.7-64.9-179.7000111.6A34 H89 F193 T194 L199A34-L196 HydrophobicContact CB-CB 4.33Å; A34-L196 WeakPolarHBondContact CB-O 3.43Å; H89-L196 HydrophobicContact CB-CD2 4.16Å; F193-L196 PolarHBondContact O-N 2.63Å; F193-L196 VanDerWaalsContact O-N 3.12Å; T194-L196 PolarHBondContact O-N 2.76Å; T194-L196 VanDerWaalsContact O-N 3.16Å; L196-L199 HydrophobicContact CD2-CD1 4.22Å
197T95.1Very high96.5Very high73 Ų7356.4 Ų56.445%0.44828%0.282SS..Hα-helixtrans-68.3-41.3176.2-55.70000110.7F193 T194 L199 T200F193-T197 PolarHBondContact O-N 2.73Å; T194-T197 CarbonylContact O-C 3.5Å; T194-T197 WeakPolarHBondContact O-CA 3.39Å; T194-T197 VanDerWaalsContact O-CB 3.31Å; T194-T197 WeakPolarHBondContact O-CB 3.38Å; T194-T197 PolarHBondContact O-N 2.59Å; T197-L199 VanDerWaalsContact C-N 3.26Å; T197-L199 PolarHBondContact O-N 2.89Å; T197-T200 WeakPolarHBondContact O-CB 3.24Å; T197-T200 PolarHBondContact O-N 3.03Å; T197-T200 PolarHBondContact O-OG1 3.32Å
198E97.1Very high96.6Very high30 Ų3057.5 Ų57.514%0.1429%0.293CS..Hα-helixtrans-63-30.4178.6-68.7-51.6115.900112.9E190 T194 T200 K201 S204 V206E190-E198 VanDerWaalsContact CD-CG 3.45Å; E190-E198 HydrophobicContact CG-CG 4.4Å; E190-E198 VanDerWaalsContact OE2-CG 3.3Å; E190-E198 WeakPolarHBondContact OE2-CG 3.38Å; T194-E198 PolarHBondContact O-N 3.12Å; E198-T200 PolarHBondContact O-N 3.15Å; E198-K201 PolarHBondContact O-N 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.19Å; E198-K201 WeakPolarHBondContact OE1-CE 3.38Å; E198-K201 IonicContact OE1-NZ 2.86Å; E198-K201 PolarHBondContact OE1-NZ 3.34Å; E198-K201 IonicContact OE2-NZ 3.13Å; E198-S204 PolarHBondContact O-OG 2.85Å; E198-S204 WeakPolarHBondContact OE2-CB 3.42Å; E198-V206 HydrophobicContact CB-CB 3.74Å; E198-V206 HydrophobicContact CB-CG1 4.33Å; E198-V206 HydrophobicContact CB-CG2 3.71Å; E198-V206 HydrophobicContact CG-CG2 4.25Å
199L96.8Very high96.7Very high0 Ų053.1 Ų53.10%027%0.274CS..THydrogen-bonded Turntrans-59.7-15.2171.2-73.3172.5000114.1A34 V35 V38 I195 L196 T197 V206 Y207 F210A34-L199 HydrophobicContact CB-CB 4.14Å; A34-L199 HydrophobicContact CB-CD1 4.47Å; V35-L199 HydrophobicContact CG1-CD1 3.92Å; V38-L199 WeakPolarHBondContact CG2-O 3.33Å; I195-L199 PolarHBondContact O-N 3.09Å; L196-L199 HydrophobicContact CD2-CD1 4.22Å; T197-L199 VanDerWaalsContact C-N 3.26Å; T197-L199 PolarHBondContact O-N 2.89Å; L199-V206 HydrophobicContact CD2-CG1 3.83Å; L199-V206 HydrophobicContact CG-CG1 3.93Å; L199-Y207 WeakPolarHBondContact O-CD2 3.48Å; L199-F210 HydrophobicContact CD2-CB 3.5Å; L199-F210 HydrophobicContact CD2-CD1 3.6Å; L199-F210 HydrophobicContact CD2-CD2 4.48Å; L199-F210 HydrophobicContact CD2-CE1 4.45Å; L199-F210 HydrophobicContact CD2-CG 3.62Å
200T95.5Very high96.8Very high79 Ų7948.2 Ų48.249%0.48525%0.247SC..THydrogen-bonded Turntrans-94.6-5.2176.771.40000113.5A34 T197 E198A34-T200 HydrophobicContact CB-CG2 3.87Å; T197-T200 WeakPolarHBondContact O-CB 3.24Å; T197-T200 PolarHBondContact O-N 3.03Å; T197-T200 PolarHBondContact O-OG1 3.32Å; E198-T200 PolarHBondContact O-N 3.15Å
201K96.7Very high96.9Very high75 Ų7549.7 Ų49.733%0.32625%0.253SS..  trans-109.5112.5-176.7-61.1-179-172.2169.40109.9E198 E203 S204 Y207E198-K201 PolarHBondContact O-N 3.25Å; E198-K201 WeakPolarHBondContact OE1-CD 3.19Å; E198-K201 WeakPolarHBondContact OE1-CE 3.38Å; E198-K201 IonicContact OE1-NZ 2.86Å; E198-K201 PolarHBondContact OE1-NZ 3.34Å; E198-K201 IonicContact OE2-NZ 3.13Å; K201-E203 PolarHBondContact O-N 2.69Å; K201-S204 WeakPolarHBondContact O-CB 3.19Å; K201-S204 PolarHBondContact O-N 3.09Å; K201-S204 PolarHBondContact O-OG 3.25Å; K201-S204 VanDerWaalsContact O-OG 3.14Å; K201-Y207 WeakPolarHBondContact O-CB 3.48Å
202E95.5Very high97Very high102 Ų10251.5 Ų51.548%0.47726%0.263SS..THydrogen-bonded Turntrans-65.8-24.5-172.4-55.4-167.2-174.600113.2H37 K41 S204 Y207H37-E202 IonicContact NE2-OE1 2.77Å; H37-E202 PolarHBondContact NE2-OE1 3.25Å; H37-E202 VanDerWaalsContact NE2-OE1 3.13Å; K41-E202 IonicContact NZ-OE1 3.3Å; K41-E202 PolarHBondContact NZ-OE1 2.99Å; K41-E202 IonicContact NZ-OE2 3.29Å; K41-E202 PolarHBondContact NZ-OE2 2.69Å; E202-S204 VanDerWaalsContact C-N 3.34Å; E202-Y207 HydrophobicContact CB-CE1 4.27Å; E202-Y207 HydrophobicContact CB-CE2 4.35Å; E202-Y207 HydrophobicContact CG-CD2 4.43Å; E202-Y207 HydrophobicContact CG-CE1 4.48Å; E202-Y207 HydrophobicContact CG-CE2 3.85Å
203E96.1Very high97.1Very high158 Ų15850.4 Ų50.474%0.73826%0.258SS*.THydrogen-bonded Turntrans-80.6-10.9175.871-80.9-168.100113.8K201K201-E203 PolarHBondContact O-N 2.69Å
204S97.8Very high97.3Very high8 Ų843.5 Ų43.56%0.05623%0.228CC..SBendtrans-77.4147.1-178.487.30000111.9E198 K201 E202 V206 Y207 A208E198-S204 PolarHBondContact O-OG 2.85Å; E198-S204 WeakPolarHBondContact OE2-CB 3.42Å; K201-S204 WeakPolarHBondContact O-CB 3.19Å; K201-S204 PolarHBondContact O-N 3.09Å; K201-S204 PolarHBondContact O-OG 3.25Å; K201-S204 VanDerWaalsContact O-OG 3.14Å; E202-S204 VanDerWaalsContact C-N 3.34Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 2.99Å; S204-V206 PolarHBondContact OG-N 3.41Å; S204-Y207 PolarHBondContact O-N 3.3Å; S204-Y207 VanDerWaalsContact OG-CB 3.28Å; S204-Y207 WeakPolarHBondContact OG-CB 3.3Å; S204-Y207 PolarHBondContact OG-N 3.2Å; S204-A208 PolarHBondContact O-N 3.08Å
205I97.9Very high97.4Very high103 Ų10349.2 Ų49.253%0.52825%0.245SC..Hα-helixtrans-65.3-32.1174.2-170.659.6000111.8Y187 A208 D209Y187-I205 HydrophobicContact CD1-CG2 3.87Å; Y187-I205 HydrophobicContact CE1-CG2 4.08Å; I205-A208 PolarHBondContact O-N 3.41Å; I205-D209 WeakPolarHBondContact O-CB 3.43Å; I205-D209 PolarHBondContact O-N 3.24Å
206V98.2Very high97.5Very high0 Ų052.5 Ų52.50%027%0.268CS..Hα-helixtrans-63.6-45.1177-175.60000110.3Y187 E190 I195 E198 L199 S204 F210Y187-V206 HydrophobicContact CD1-CG2 3.71Å; Y187-V206 HydrophobicContact CD2-CG2 4.2Å; Y187-V206 HydrophobicContact CE1-CB 4.27Å; Y187-V206 HydrophobicContact CE1-CG2 3.76Å; Y187-V206 HydrophobicContact CE2-CG1 4.41Å; Y187-V206 HydrophobicContact CE2-CG2 4.25Å; Y187-V206 HydrophobicContact CG-CG2 3.92Å; E190-V206 HydrophobicContact CG-CG2 4.1Å; I195-V206 HydrophobicContact CD1-CG1 4.36Å; I195-V206 HydrophobicContact CG1-CG1 3.61Å; I195-V206 HydrophobicContact CG1-CG2 4.25Å; E198-V206 HydrophobicContact CB-CB 3.74Å; E198-V206 HydrophobicContact CB-CG1 4.33Å; E198-V206 HydrophobicContact CB-CG2 3.71Å; E198-V206 HydrophobicContact CG-CG2 4.25Å; L199-V206 HydrophobicContact CD2-CG1 3.83Å; L199-V206 HydrophobicContact CG-CG1 3.93Å; S204-V206 VanDerWaalsContact C-N 3.25Å; S204-V206 PolarHBondContact O-N 2.99Å; S204-V206 PolarHBondContact OG-N 3.41Å; V206-F210 VanDerWaalsContact O-CB 3.31Å; V206-F210 WeakPolarHBondContact O-CB 3.32Å; V206-F210 PolarHBondContact O-N 2.86Å
207Y98.3Very high97.5Very high14 Ų1452.3 Ų52.36%0.05527%0.267CS..Hα-helixtrans-60.1-49.9173.6175.7-76.2000110.5V38 K41 L199 K201 E202 S204 D209 F210 F211V38-Y207 HydrophobicContact CB-CE2 4.3Å; V38-Y207 HydrophobicContact CG1-CE2 4.24Å; V38-Y207 HydrophobicContact CG2-CD2 3.57Å; V38-Y207 HydrophobicContact CG2-CE2 3.47Å; V38-Y207 VanDerWaalsContact CG2-CE2 3.47Å; V38-Y207 HydrophobicContact CG2-CG 4.47Å; K41-Y207 WeakPolarHBondContact CD-OH 3.44Å; K41-Y207 PolarHBondContact NZ-OH 2.96Å; K41-Y207 VanDerWaalsContact NZ-OH 3.11Å; L199-Y207 WeakPolarHBondContact O-CD2 3.48Å; K201-Y207 WeakPolarHBondContact O-CB 3.48Å; E202-Y207 HydrophobicContact CB-CE1 4.27Å; E202-Y207 HydrophobicContact CB-CE2 4.35Å; E202-Y207 HydrophobicContact CG-CD2 4.43Å; E202-Y207 HydrophobicContact CG-CE1 4.48Å; E202-Y207 HydrophobicContact CG-CE2 3.85Å; S204-Y207 PolarHBondContact O-N 3.3Å; S204-Y207 VanDerWaalsContact OG-CB 3.28Å; S204-Y207 WeakPolarHBondContact OG-CB 3.3Å; S204-Y207 PolarHBondContact OG-N 3.2Å; Y207-D209 PolarHBondContact O-N 3.05Å; Y207-F210 PolarHBondContact O-N 2.89Å; Y207-F211 HydrophobicContact CD1-CB 4.4Å; Y207-F211 HydrophobicContact CE1-CB 4.15Å; Y207-F211 HydrophobicContact CE1-CD2 4.29Å; Y207-F211 HydrophobicContact CE1-CG 4.41Å; Y207-F211 VanDerWaalsContact O-CB 3.25Å; Y207-F211 WeakPolarHBondContact O-CB 3.46Å; Y207-F211 PolarHBondContact O-N 3.41Å
208A98.5Very high97.7Very high33 Ų3351.3 Ų51.327%0.27326%0.258SS..Hα-helixtrans-60.8-45.5-176.400000111.9S204 I205 F211 N212S204-A208 PolarHBondContact O-N 3.08Å; I205-A208 PolarHBondContact O-N 3.41Å; A208-F211 PolarHBondContact O-N 3.34Å; A208-N212 WeakPolarHBondContact O-CB 3.37Å; A208-N212 PolarHBondContact O-N 3.49Å; A208-N212 PolarHBondContact O-ND2 3.39Å; A208-N212 VanDerWaalsContact O-ND2 3.1Å
209D98.6Very high97.7Very high21 Ų2152.4 Ų52.411%0.11226%0.264CS..Hα-helixtrans-66.3-42.1178.1-80.4-22.4000112.1K185 Y187 I205 Y207 N212 F213K185-D209 WeakPolarHBondContact CD-OD2 3.48Å; K185-D209 WeakPolarHBondContact CE-OD1 3.15Å; K185-D209 VanDerWaalsContact CE-OD2 3.29Å; K185-D209 WeakPolarHBondContact CE-OD2 3.44Å; K185-D209 HydrophobicContact CG-CB 4.29Å; K185-D209 IonicContact NZ-OD1 2.63Å; K185-D209 PolarHBondContact NZ-OD1 3.37Å; K185-D209 IonicContact NZ-OD2 2.66Å; K185-D209 PolarHBondContact NZ-OD2 3.28Å; Y187-D209 WeakPolarHBondContact OH-CB 3.13Å; I205-D209 WeakPolarHBondContact O-CB 3.43Å; I205-D209 PolarHBondContact O-N 3.24Å; Y207-D209 PolarHBondContact O-N 3.05Å; D209-N212 PolarHBondContact O-N 3.02Å; D209-F213 WeakPolarHBondContact O-CB 3.33Å; D209-F213 PolarHBondContact O-N 2.66Å
210F98.7Very high97.7Very high1 Ų155.3 Ų55.30%0.00428%0.279CS..Hα-helixtrans-65.5-42175.4-176.9-117.3000112.4F16 V35 V38 Y112 L157 L199 V206 Y207 F213 L214F16-F210 HydrophobicContact CD2-CZ 4.44Å; F16-F210 HydrophobicContact CE1-CZ 4.5Å; F16-F210 AromaticContact CE2-CE2 3.85Å; F16-F210 HydrophobicContact CE2-CE2 3.85Å; F16-F210 AromaticContact CE2-CZ 3.76Å; F16-F210 HydrophobicContact CE2-CZ 3.76Å; F16-F210 AromaticContact CZ-CE2 3.98Å; F16-F210 HydrophobicContact CZ-CE2 3.98Å; F16-F210 AromaticContact CZ-CZ 3.8Å; F16-F210 HydrophobicContact CZ-CZ 3.8Å; V35-F210 HydrophobicContact CB-CE1 3.91Å; V35-F210 HydrophobicContact CB-CZ 3.89Å; V35-F210 HydrophobicContact CG1-CE1 4.02Å; V35-F210 HydrophobicContact CG1-CZ 3.79Å; V38-F210 HydrophobicContact CB-CD1 3.79Å; V38-F210 HydrophobicContact CB-CE1 3.9Å; V38-F210 HydrophobicContact CG1-CD1 3.78Å; V38-F210 HydrophobicContact CG1-CE1 4.25Å; V38-F210 HydrophobicContact CG2-CD1 4.01Å; V38-F210 HydrophobicContact CG2-CE1 4.36Å; Y112-F210 HydrophobicContact CD1-CD2 4.44Å; Y112-F210 AromaticContact CD1-CE2 3.86Å; Y112-F210 HydrophobicContact CD1-CE2 3.86Å; Y112-F210 AromaticContact CD2-CD2 3.76Å; Y112-F210 HydrophobicContact CD2-CD2 3.76Å; Y112-F210 AromaticContact CD2-CE2 3.85Å; Y112-F210 HydrophobicContact CD2-CE2 3.85Å; Y112-F210 HydrophobicContact CE1-CD2 4.41Å; Y112-F210 HydrophobicContact CE1-CE2 4.12Å; Y112-F210 AromaticContact CE2-CD2 3.73Å; Y112-F210 HydrophobicContact CE2-CD2 3.73Å; Y112-F210 HydrophobicContact CE2-CE2 4.12Å; Y112-F210 HydrophobicContact CG-CD2 4.11Å; Y112-F210 AromaticContact CG-CE2 3.7Å; Y112-F210 HydrophobicContact CG-CE2 3.7Å; L157-F210 HydrophobicContact CD2-CD2 4.17Å; L199-F210 HydrophobicContact CD2-CB 3.5Å; L199-F210 HydrophobicContact CD2-CD1 3.6Å; L199-F210 HydrophobicContact CD2-CD2 4.48Å; L199-F210 HydrophobicContact CD2-CE1 4.45Å; L199-F210 HydrophobicContact CD2-CG 3.62Å; V206-F210 VanDerWaalsContact O-CB 3.31Å; V206-F210 WeakPolarHBondContact O-CB 3.32Å; V206-F210 PolarHBondContact O-N 2.86Å; Y207-F210 PolarHBondContact O-N 2.89Å; F210-F213 PolarHBondContact O-N 2.71Å; F210-L214 HydrophobicContact CD1-CD1 4.21Å; F210-L214 HydrophobicContact CD2-CG 4.47Å; F210-L214 HydrophobicContact CE1-CD1 3.57Å; F210-L214 HydrophobicContact CE1-CG 4.32Å; F210-L214 HydrophobicContact CE2-CD1 4.13Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CE2-CG 4.09Å; F210-L214 HydrophobicContact CZ-CD1 3.53Å; F210-L214 HydrophobicContact CZ-CD2 4.38Å; F210-L214 HydrophobicContact CZ-CG 4.01Å; F210-L214 WeakPolarHBondContact O-CG 3.08Å; F210-L214 PolarHBondContact O-N 3.25Å
211F98.7Very high97.9Very high56 Ų5653.9 Ų53.925%0.24627%0.267CS..Hα-helixtrans-60.4-50.6175.1179.6-84.1000110.9V38 L42 Y207 A208 F213 L214 Y215V38-F211 HydrophobicContact CG1-CB 3.76Å; V38-F211 HydrophobicContact CG1-CD2 3.86Å; V38-F211 HydrophobicContact CG1-CG 4.3Å; L42-F211 HydrophobicContact CD1-CD2 3.86Å; L42-F211 HydrophobicContact CD1-CE2 4.01Å; L42-F211 HydrophobicContact CD1-CG 4.25Å; L42-F211 WeakPolarHBondContact CD1-O 3.39Å; L42-F211 HydrophobicContact CD2-CD2 4.29Å; L42-F211 HydrophobicContact CD2-CE1 4.27Å; L42-F211 HydrophobicContact CD2-CE2 3.58Å; L42-F211 HydrophobicContact CD2-CZ 3.57Å; L42-F211 HydrophobicContact CG-CD2 4.07Å; L42-F211 HydrophobicContact CG-CE2 3.74Å; L42-F211 HydrophobicContact CG-CZ 4.24Å; Y207-F211 HydrophobicContact CD1-CB 4.4Å; Y207-F211 HydrophobicContact CE1-CB 4.15Å; Y207-F211 HydrophobicContact CE1-CD2 4.29Å; Y207-F211 HydrophobicContact CE1-CG 4.41Å; Y207-F211 VanDerWaalsContact O-CB 3.25Å; Y207-F211 WeakPolarHBondContact O-CB 3.46Å; Y207-F211 PolarHBondContact O-N 3.41Å; A208-F211 PolarHBondContact O-N 3.34Å; F211-F213 VanDerWaalsContact C-N 3.3Å; F211-F213 PolarHBondContact O-N 3.25Å; F211-L214 PolarHBondContact O-N 3.12Å; F211-Y215 HydrophobicContact CE1-CD2 4.49Å; F211-Y215 VanDerWaalsContact O-CB 3.26Å; F211-Y215 WeakPolarHBondContact O-CB 3.34Å; F211-Y215 PolarHBondContact O-N 3.08Å
212N98.7Very high97.9Very high93 Ų9352.6 Ų52.650%0.49726%0.263SS..Hα-helixtrans-61.7-40-179.6-72.8-27.6000111.6A208 D209 Y215 S216A208-N212 WeakPolarHBondContact O-CB 3.37Å; A208-N212 PolarHBondContact O-N 3.49Å; A208-N212 PolarHBondContact O-ND2 3.39Å; A208-N212 VanDerWaalsContact O-ND2 3.1Å; D209-N212 PolarHBondContact O-N 3.02Å; N212-Y215 PolarHBondContact O-N 3.24Å; N212-S216 PolarHBondContact O-N 3.23Å
213F98.8Very high98.1Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-58.6-56.1173.1170.1-106.7000111.3V85 A111 P155 L157 D209 F210 F211 Y215 S216 I217V85-F213 HydrophobicContact CG1-CE1 3.94Å; V85-F213 HydrophobicContact CG1-CZ 4.41Å; A111-F213 WeakPolarHBondContact O-CZ 3.38Å; P155-F213 HydrophobicContact CB-CE2 3.98Å; L157-F213 HydrophobicContact CB-CB 4.3Å; L157-F213 HydrophobicContact CB-CD1 3.9Å; L157-F213 HydrophobicContact CB-CD2 3.6Å; L157-F213 HydrophobicContact CB-CE1 4.09Å; L157-F213 HydrophobicContact CB-CE2 3.79Å; L157-F213 HydrophobicContact CB-CG 3.65Å; L157-F213 HydrophobicContact CB-CZ 4.04Å; L157-F213 HydrophobicContact CD2-CB 3.65Å; L157-F213 HydrophobicContact CD2-CD1 3.94Å; L157-F213 HydrophobicContact CD2-CG 3.79Å; L157-F213 HydrophobicContact CG-CG 4.34Å; D209-F213 WeakPolarHBondContact O-CB 3.33Å; D209-F213 PolarHBondContact O-N 2.66Å; F210-F213 PolarHBondContact O-N 2.71Å; F211-F213 VanDerWaalsContact C-N 3.3Å; F211-F213 PolarHBondContact O-N 3.25Å; F213-Y215 VanDerWaalsContact C-N 3.27Å; F213-Y215 PolarHBondContact O-N 2.99Å; F213-S216 PolarHBondContact O-N 3.12Å; F213-S216 VanDerWaalsContact O-N 3.1Å; F213-S216 PolarHBondContact O-OG 3.33Å; F213-I217 HydrophobicContact CE2-CD1 4.43Å; F213-I217 HydrophobicContact CZ-CG1 4.47Å
214L98.6Very high98.3Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-62.8-32.6-179.6-71.7-171.9000113.5F16 A39 L42 Y44 V85 F210 F211 S216 I217F16-L214 HydrophobicContact CD2-CD1 4.46Å; F16-L214 HydrophobicContact CD2-CD2 3.67Å; F16-L214 HydrophobicContact CE2-CD2 3.87Å; A39-L214 HydrophobicContact CB-CD1 4.05Å; L42-L214 HydrophobicContact CD1-CB 3.42Å; L42-L214 VanDerWaalsContact CD1-CB 3.42Å; L42-L214 HydrophobicContact CD1-CD1 4.39Å; Y44-L214 HydrophobicContact CE2-CB 4.13Å; Y44-L214 PolarHBondContact OH-O 3.36Å; V85-L214 HydrophobicContact CB-CD2 4.36Å; V85-L214 HydrophobicContact CG1-CD2 4.12Å; V85-L214 HydrophobicContact CG2-CD2 4.12Å; F210-L214 HydrophobicContact CD1-CD1 4.21Å; F210-L214 HydrophobicContact CD2-CG 4.47Å; F210-L214 HydrophobicContact CE1-CD1 3.57Å; F210-L214 HydrophobicContact CE1-CG 4.32Å; F210-L214 HydrophobicContact CE2-CD1 4.13Å; F210-L214 HydrophobicContact CE2-CD2 4.32Å; F210-L214 HydrophobicContact CE2-CG 4.09Å; F210-L214 HydrophobicContact CZ-CD1 3.53Å; F210-L214 HydrophobicContact CZ-CD2 4.38Å; F210-L214 HydrophobicContact CZ-CG 4.01Å; F210-L214 WeakPolarHBondContact O-CG 3.08Å; F210-L214 PolarHBondContact O-N 3.25Å; F211-L214 PolarHBondContact O-N 3.12Å; L214-S216 VanDerWaalsContact C-N 3.31Å; L214-I217 PolarHBondContact O-N 3.31Å
215Y98.4Very high98.3Very high163 Ų16344.1 Ų44.164%0.63923%0.226SC*.Hα-helixtrans-66.5-34.7176.3-179.1-94.8000111.7L42 F211 N212 F213 I217L42-Y215 HydrophobicContact CD2-CD2 3.76Å; L42-Y215 HydrophobicContact CD2-CG 4.47Å; F211-Y215 HydrophobicContact CE1-CD2 4.49Å; F211-Y215 VanDerWaalsContact O-CB 3.26Å; F211-Y215 WeakPolarHBondContact O-CB 3.34Å; F211-Y215 PolarHBondContact O-N 3.08Å; N212-Y215 PolarHBondContact O-N 3.24Å; F213-Y215 VanDerWaalsContact C-N 3.27Å; F213-Y215 PolarHBondContact O-N 2.99Å; Y215-I217 PolarHBondContact O-N 3.08Å
216S97.5Very high98.3Very high69 Ų6939.2 Ų39.248%0.48320%0.201SC..Hα-helixtrans-72.3-12.4178.976.60000114.6N212 F213 L214N212-S216 PolarHBondContact O-N 3.23Å; F213-S216 PolarHBondContact O-N 3.12Å; F213-S216 VanDerWaalsContact O-N 3.1Å; F213-S216 PolarHBondContact O-OG 3.33Å; L214-S216 VanDerWaalsContact C-N 3.31Å
217I96.8Very high98.3Very high20 Ų2042.7 Ų42.710%0.10322%0.219CC..  trans-95.70-179.6-54.6-47.9000112.4K14 Y44 K83 V85 S109 P155 F213 L214 Y215K14-I217 PolarHBondContact NZ-OXT 2.91Å; Y44-I217 WeakPolarHBondContact OH-CB 3.47Å; Y44-I217 PolarHBondContact OH-OXT 2.74Å; K83-I217 HydrophobicContact CB-CG2 4.43Å; K83-I217 HydrophobicContact CD-CG2 4.45Å; K83-I217 WeakPolarHBondContact CE-O 3.43Å; V85-I217 HydrophobicContact CG2-CB 4.3Å; V85-I217 HydrophobicContact CG2-CG1 4.22Å; V85-I217 HydrophobicContact CG2-CG2 3.85Å; S109-I217 VanDerWaalsContact CB-CG2 3.49Å; S109-I217 VanDerWaalsContact O-CD1 3.3Å; S109-I217 WeakPolarHBondContact O-CD1 3.34Å; P155-I217 HydrophobicContact CB-CD1 3.99Å; P155-I217 HydrophobicContact CG-CD1 3.7Å; F213-I217 HydrophobicContact CE2-CD1 4.43Å; F213-I217 HydrophobicContact CZ-CG1 4.47Å; L214-I217 PolarHBondContact O-N 3.31Å; Y215-I217 PolarHBondContact O-N 3.08Å

Retrieved 217 of 217 residues in 70.5 ms (Link to these results)

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