A0A077ZMX8_TRITR Loading...

3'-phosphate/5'-hydroxy nucleic acid ligase

AlphaFold DB , UniProt , Accession A0A077ZMX8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 270 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
1N83.1Confident92.6Very high171 Ų17182.5 Ų82.591%0.91441%0.414SS*.  0147.50-77.1-23.9000108.2
2I90.9Very high92.6Very high36 Ų3686.4 Ų86.419%0.18544%0.436CS..  trans-77.9131.9175.4-63.3171000108.6A4 I6 L45 I49 D111 I114I2-A4 HydrophobicContact CG2-CB 3.96Å; I2-I6 HydrophobicContact CD1-CD1 3.56Å; I2-I6 HydrophobicContact CD1-CG1 4.47Å; I2-I6 HydrophobicContact CG2-CG1 4.39Å; I2-I6 HydrophobicContact CG2-CG2 3.99Å; I2-L45 HydrophobicContact CD1-CD1 3.89Å; I2-I49 HydrophobicContact CD1-CD1 4.49Å; I2-I49 HydrophobicContact CG2-CD1 4.27Å; I2-I49 HydrophobicContact CG2-CG1 4.2Å; I2-D111 WeakPolarHBondContact CA-OD1 3.5Å; I2-D111 HydrophobicContact CG2-CB 4.46Å; I2-I114 HydrophobicContact CD1-CB 4.4Å; I2-I114 HydrophobicContact CD1-CG2 3.69Å; I2-I114 HydrophobicContact CG1-CB 4.13Å; I2-I114 HydrophobicContact CG1-CD1 3.58Å; I2-I114 HydrophobicContact CG1-CG1 4.46Å; I2-I114 HydrophobicContact CG1-CG2 3.81Å
3Q92.7Very high92.7Very high105 Ų10591.5 Ų91.549%0.49146%0.458SS..  trans-79.1-40.3177.5-62.5-70.315.700111.6N107 D111Q3-N107 HydrophobicContact CG-CB 4.11Å; Q3-N107 PolarHBondContact NE2-OD1 3.24Å; Q3-D111 PolarHBondContact N-OD1 3.06Å; Q3-D111 PolarHBondContact N-OD2 3.38Å
4A94.6Very high92.8Very high4 Ų486.5 Ų86.53%0.03344%0.435CS..SBendtrans-56.2136174.500000111.9I2 I6 I49 Y52 D111I2-A4 HydrophobicContact CG2-CB 3.96Å; A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 HydrophobicContact CB-CG2 4.11Å; A4-I6 PolarHBondContact O-N 2.97Å; A4-I49 HydrophobicContact CB-CB 4.47Å; A4-I49 HydrophobicContact CB-CG1 3.95Å; A4-Y52 VanDerWaalsContact CA-CD1 3.43Å; A4-Y52 HydrophobicContact CB-CD1 3.46Å; A4-Y52 VanDerWaalsContact CB-CD1 3.46Å; A4-Y52 HydrophobicContact CB-CE1 4.2Å; A4-Y52 HydrophobicContact CB-CG 3.75Å; A4-D111 PolarHBondContact N-OD2 3.05Å
5P94.3Very high92.9Very high99 Ų9985.3 Ų85.364%0.64343%0.43SS*.  trans-74.381.2176.631.7-34.1000110Y52P5-Y52 VanDerWaalsContact CD-CE2 3.48Å; P5-Y52 HydrophobicContact CG-CD2 3.92Å; P5-Y52 HydrophobicContact CG-CE2 4.18Å
6I94.1Very high93.1Very high29 Ų2981.9 Ų81.915%0.14942%0.424CS..  trans-84.5150.6-177.659154.7000112.6I2 A4 R8 L45 E48 I49I2-I6 HydrophobicContact CD1-CD1 3.56Å; I2-I6 HydrophobicContact CD1-CG1 4.47Å; I2-I6 HydrophobicContact CG2-CG1 4.39Å; I2-I6 HydrophobicContact CG2-CG2 3.99Å; A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 HydrophobicContact CB-CG2 4.11Å; A4-I6 PolarHBondContact O-N 2.97Å; I6-R8 HydrophobicContact CD1-CG 4.03Å; I6-R8 HydrophobicContact CG1-CG 4.15Å; I6-R8 PolarHBondContact O-N 2.86Å; I6-L45 HydrophobicContact CB-CD1 4.16Å; I6-L45 HydrophobicContact CD1-CD1 3.48Å; I6-L45 VanDerWaalsContact CD1-CD1 3.48Å; I6-L45 HydrophobicContact CG1-CD1 4.4Å; I6-L45 HydrophobicContact CG2-CD1 3.83Å; I6-E48 VanDerWaalsContact CA-OE2 3.3Å; I6-E48 WeakPolarHBondContact CA-OE2 3.17Å; I6-E48 WeakPolarHBondContact CB-OE2 3.38Å; I6-E48 HydrophobicContact CG2-CB 4.13Å; I6-I49 HydrophobicContact CG2-CG1 4.07Å
7H95.3Very high93.3Very high100 Ų10080.1 Ų80.146%0.46342%0.417SS..  trans-79.886.2169.5-6492.5000109.8G9 W10 A11 E48H7-G9 PolarHBondContact O-N 3.33Å; H7-G9 VanDerWaalsContact O-N 3.12Å; H7-W10 HydrophobicContact CB-CB 4.02Å; H7-W10 HydrophobicContact CB-CD2 3.84Å; H7-W10 HydrophobicContact CB-CE3 3.84Å; H7-W10 HydrophobicContact CB-CG 3.92Å; H7-W10 AromaticContact CG-CE3 3.92Å; H7-W10 PolarHBondContact O-N 3.42Å; H7-A11 PolarHBondContact O-N 3.28Å; H7-E48 IonicContact CE1-OE1 3.76Å; H7-E48 IonicContact CG-OE1 2.82Å; H7-E48 PolarHBondContact N-OE2 3.22Å; H7-E48 IonicContact ND1-OE1 3.87Å; H7-E48 PolarHBondContact ND1-OE1 3.48Å; H7-E48 IonicContact ND1-OE2 3.59Å
8R92.6Very high93.4Very high171 Ų17176.6 Ų76.665%0.64540%0.398SS*.Hα-helixtrans-51.4-39.3-177.5-66.5-174.8179.8-166.20.6113.7I6 W10 A11 L12I6-R8 HydrophobicContact CD1-CG 4.03Å; I6-R8 HydrophobicContact CG1-CG 4.15Å; I6-R8 PolarHBondContact O-N 2.86Å; R8-W10 PolarHBondContact O-N 3.46Å; R8-A11 PolarHBondContact O-N 3.42Å; R8-L12 WeakPolarHBondContact O-CG 3.24Å; R8-L12 PolarHBondContact O-N 2.92Å
9G94.1Very high93.3Very high41 Ų4173.7 Ų73.742%0.42339%0.389SS..Hα-helixtrans-62.1-41.5177.200000113H7 L12 Q13H7-G9 PolarHBondContact O-N 3.33Å; H7-G9 VanDerWaalsContact O-N 3.12Å; G9-L12 PolarHBondContact O-N 3.28Å; G9-Q13 WeakPolarHBondContact O-CG 3.49Å; G9-Q13 PolarHBondContact O-N 3.43Å
10W93.6Very high93.1Very high143 Ų14371.5 Ų71.554%0.54239%0.385SS..Hα-helixtrans-71.1-37.4176.9-65.3-3.6000112H7 R8 L12 Q13 S14 V44H7-W10 HydrophobicContact CB-CB 4.02Å; H7-W10 HydrophobicContact CB-CD2 3.84Å; H7-W10 HydrophobicContact CB-CE3 3.84Å; H7-W10 HydrophobicContact CB-CG 3.92Å; H7-W10 AromaticContact CG-CE3 3.92Å; H7-W10 PolarHBondContact O-N 3.42Å; R8-W10 PolarHBondContact O-N 3.46Å; W10-L12 VanDerWaalsContact C-N 3.34Å; W10-Q13 PolarHBondContact O-N 2.86Å; W10-S14 VanDerWaalsContact O-CB 3.3Å; W10-S14 WeakPolarHBondContact O-CB 3.3Å; W10-S14 PolarHBondContact O-N 3.41Å; W10-S14 PolarHBondContact O-OG 2.92Å; W10-V44 HydrophobicContact CB-CG1 4.05Å; W10-V44 HydrophobicContact CE3-CG2 4.2Å
11A93.5Very high92.8Very high8 Ų869.1 Ų69.17%0.06638%0.378CS..Hα-helixtrans-61-43.2172.700000111.2H7 R8 S14 L15 L45 Y118H7-A11 PolarHBondContact O-N 3.28Å; R8-A11 PolarHBondContact O-N 3.42Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-L15 PolarHBondContact O-N 3.02Å; A11-L45 HydrophobicContact CB-CB 4.35Å; A11-L45 HydrophobicContact CB-CD1 4.31Å; A11-Y118 WeakPolarHBondContact O-CE2 3.24Å; A11-Y118 PolarHBondContact O-OH 2.92Å
12L92.9Very high93.1Very high130 Ų13062.9 Ų62.968%0.68134%0.344SS*.Hα-helixtrans-65.6-43.9176.6-71.1172.3000112.4R8 G9 W10 S14 L15R8-L12 WeakPolarHBondContact O-CG 3.24Å; R8-L12 PolarHBondContact O-N 2.92Å; G9-L12 PolarHBondContact O-N 3.28Å; W10-L12 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.49Å; L12-L15 WeakPolarHBondContact O-CB 3.45Å; L12-L15 PolarHBondContact O-N 2.9Å
13Q93.7Very high93.3Very high153 Ų15362.2 Ų62.272%0.71534%0.341SS*.Hα-helixtrans-66.8-24.2177.5-71.4177.619.800113.4G9 W10 L15G9-Q13 WeakPolarHBondContact O-CG 3.49Å; G9-Q13 PolarHBondContact O-N 3.43Å; W10-Q13 PolarHBondContact O-N 2.86Å; Q13-L15 VanDerWaalsContact C-N 3.32Å
14S94Very high93.5Very high21 Ų2157.8 Ų57.815%0.14732%0.319CS..Hα-helixtrans-80.3-13.2178.1-64.20000113.2W10 A11 L12 T17 Y118 N122W10-S14 VanDerWaalsContact O-CB 3.3Å; W10-S14 WeakPolarHBondContact O-CB 3.3Å; W10-S14 PolarHBondContact O-N 3.41Å; W10-S14 PolarHBondContact O-OG 2.92Å; A11-S14 PolarHBondContact O-N 3.41Å; L12-S14 PolarHBondContact O-N 3.49Å; S14-T17 WeakPolarHBondContact O-CB 3.5Å; S14-T17 WeakPolarHBondContact O-CG2 3.42Å; S14-T17 PolarHBondContact O-N 3.46Å; S14-T17 VanDerWaalsContact O-N 3.16Å; S14-T17 PolarHBondContact O-OG1 3.1Å; S14-Y118 VanDerWaalsContact CB-OH 3.29Å; S14-Y118 WeakPolarHBondContact CB-OH 3.49Å; S14-N122 PolarHBondContact O-OD1 3.11Å
15L94.3Very high93.6Very high69 Ų6958.6 Ų58.636%0.36132%0.323SS..THydrogen-bonded Turntrans-71.3132.3-177.8-172.170.1000110A11 L12 Q13 T17 Y118 F121 N122A11-L15 PolarHBondContact O-N 3.02Å; L12-L15 WeakPolarHBondContact O-CB 3.45Å; L12-L15 PolarHBondContact O-N 2.9Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; L15-T17 VanDerWaalsContact C-N 3.31Å; L15-Y118 WeakPolarHBondContact CA-OH 3.23Å; L15-Y118 HydrophobicContact CB-CE2 4.34Å; L15-Y118 HydrophobicContact CD1-CD2 4.38Å; L15-Y118 HydrophobicContact CD1-CE2 3.95Å; L15-Y118 PolarHBondContact N-OH 3.15Å; L15-F121 HydrophobicContact CD1-CB 4.29Å; L15-N122 HydrophobicContact CD1-CB 4.14Å
16G95.4Very high93.8Very high31 Ų3154 Ų5432%0.3229%0.293SS..THydrogen-bonded Turntrans78.811.2-172.200000114N122 M126G16-N122 VanDerWaalsContact CA-OD1 3.32Å; G16-N122 WeakPolarHBondContact CA-OD1 3.35Å; G16-N122 PolarHBondContact N-OD1 3.48Å; G16-M126 VanDerWaalsContact C-CG 3.45Å; G16-M126 WeakPolarHBondContact O-CG 3.15Å
17T96.2Very high94Very high50 Ų5053.8 Ų53.831%0.30729%0.293SS..  trans-102.4140.617973.40000112.6S14 L15 S40 N122 M126S14-T17 WeakPolarHBondContact O-CB 3.5Å; S14-T17 WeakPolarHBondContact O-CG2 3.42Å; S14-T17 PolarHBondContact O-N 3.46Å; S14-T17 VanDerWaalsContact O-N 3.16Å; S14-T17 PolarHBondContact O-OG1 3.1Å; L15-T17 VanDerWaalsContact C-N 3.31Å; T17-S40 PolarHBondContact O-OG 3.1Å; T17-N122 PolarHBondContact N-OD1 3Å; T17-N122 VanDerWaalsContact N-OD1 3.11Å; T17-N122 PolarHBondContact O-ND2 3.03Å; T17-N122 VanDerWaalsContact O-ND2 3.12Å; T17-N122 PolarHBondContact O-OD1 3.13Å; T17-M126 VanDerWaalsContact C-SD 3.51Å; T17-M126 WeakPolarHBondContact O-CE 3.46Å
18L95.4Very high94.2Very high17 Ų1749 Ų499%0.08927%0.271CS..  trans-71.5-44.1-179.7-175.758.1000112.1H23 I25 S40 M126 F268L18-H23 HydrophobicContact CD1-CB 4.06Å; L18-H23 HydrophobicContact CG-CB 4.15Å; L18-H23 WeakPolarHBondContact O-CB 3.39Å; L18-H23 PolarHBondContact O-ND1 3.32Å; L18-I25 HydrophobicContact CD1-CD1 4.15Å; L18-I25 HydrophobicContact CD1-CG1 3.68Å; L18-I25 HydrophobicContact CD2-CD1 4.2Å; L18-I25 HydrophobicContact CD2-CG1 3.97Å; L18-I25 HydrophobicContact CG-CG1 4.37Å; L18-S40 PolarHBondContact O-OG 2.85Å; L18-M126 HydrophobicContact CB-SD 4.13Å; L18-M126 HydrophobicContact CD1-SD 4.23Å; L18-F268 HydrophobicContact CD2-CD1 3.55Å; L18-F268 HydrophobicContact CD2-CE1 3.68Å
19G92.4Very high94.4Very high22 Ų2245.7 Ų45.723%0.22726%0.263CS..  trans81.8-152.1-167.200000113.7R43 G270G19-R43 VanDerWaalsContact CA-NH1 3.31Å; G19-G270 WeakPolarHBondContact O-CA 3.35Å
20G89.8Confident94.6Very high29 Ų2944.5 Ų44.530%0.29925%0.251SS..SBendtrans-147.3-172.1-17800000113.6G270G20-G270 WeakPolarHBondContact CA-OXT 3.47Å
21G85.8Confident94.7Very high23 Ų2342.6 Ų42.624%0.23726%0.259CS..THydrogen-bonded Turntrans79.9-119.4-173.800000110.4H23 E237 K269G21-H23 VanDerWaalsContact C-N 3.32Å; G21-E237 VanDerWaalsContact O-CD 3.27Å; G21-K269 WeakPolarHBondContact O-CE 3.46Å
22N89.6Confident94.7Very high40 Ų4046.9 Ų46.921%0.21428%0.281CS..THydrogen-bonded Turntrans-86.1-2.1-177.968.2-23.5000114F24 K269N22-F24 WeakPolarHBondContact O-CD1 3.23Å; N22-K269 PolarHBondContact O-NZ 3.18Å
23H94.6Very high94.8Very high22 Ų2242.1 Ų42.110%0.10226%0.263CS..  trans-70.3144.3178.9-64.5-179.7000111.8L18 G21 R39 G270L18-H23 HydrophobicContact CD1-CB 4.06Å; L18-H23 HydrophobicContact CG-CB 4.15Å; L18-H23 WeakPolarHBondContact O-CB 3.39Å; L18-H23 PolarHBondContact O-ND1 3.32Å; G21-H23 VanDerWaalsContact C-N 3.32Å; H23-R39 WeakPolarHBondContact CA-O 3.4Å; H23-R39 WeakPolarHBondContact CB-O 3.34Å; H23-G270 PolarHBondContact O-N 2.81Å
24F97.1Very high94.9Very high11 Ų1141.7 Ų41.75%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-158.1163.7-176.867.1-100.1000112.9N22 E26 V37 R39 P174 F268 K269N22-F24 WeakPolarHBondContact O-CD1 3.23Å; F24-E26 HydrophobicContact CD2-CB 4.17Å; F24-E26 HydrophobicContact CD2-CG 3.58Å; F24-E26 HydrophobicContact CE2-CB 4.23Å; F24-E26 HydrophobicContact CE2-CG 3.88Å; F24-E26 WeakPolarHBondContact CE2-OE2 3.37Å; F24-V37 HydrophobicContact CE2-CB 4.3Å; F24-V37 HydrophobicContact CE2-CG1 3.73Å; F24-V37 HydrophobicContact CZ-CG1 4.12Å; F24-R39 HydrophobicContact CD1-CB 3.71Å; F24-R39 HydrophobicContact CD1-CG 4.36Å; F24-R39 HydrophobicContact CD2-CB 4.38Å; F24-R39 HydrophobicContact CE1-CB 3.54Å; F24-R39 HydrophobicContact CE1-CG 4.08Å; F24-R39 HydrophobicContact CE2-CB 4.24Å; F24-R39 HydrophobicContact CG-CB 4.14Å; F24-R39 HydrophobicContact CZ-CB 3.82Å; F24-R39 PolarHBondContact N-O 3.42Å; F24-R39 VanDerWaalsContact N-O 3.13Å; F24-R39 PolarHBondContact O-N 3.26Å; F24-P174 HydrophobicContact CE1-CB 3.83Å; F24-P174 HydrophobicContact CE1-CG 4.24Å; F24-P174 HydrophobicContact CZ-CB 3.72Å; F24-P174 HydrophobicContact CZ-CG 3.95Å; F24-F268 CarbonylContact C-O 3.45Å; F24-F268 WeakPolarHBondContact CA-O 3.46Å; F24-F268 WeakPolarHBondContact CB-O 3.31Å; F24-K269 HydrophobicContact CB-CD 4.14Å
25I97.9Very high95.1Very high22 Ų2243.1 Ų43.111%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-126.4128.1167.9-58.1177.9000107.1L18 L36 V37 I38 M126 I130 F268L18-I25 HydrophobicContact CD1-CD1 4.15Å; L18-I25 HydrophobicContact CD1-CG1 3.68Å; L18-I25 HydrophobicContact CD2-CD1 4.2Å; L18-I25 HydrophobicContact CD2-CG1 3.97Å; L18-I25 HydrophobicContact CG-CG1 4.37Å; I25-L36 HydrophobicContact CG2-CD1 3.93Å; I25-V37 CarbonylContact C-O 3.55Å; I25-V37 WeakPolarHBondContact CA-O 3.48Å; I25-I38 HydrophobicContact CG1-CG1 4.35Å; I25-I38 HydrophobicContact CG1-CG2 4.44Å; I25-I38 HydrophobicContact CG2-CG1 4.3Å; I25-M126 HydrophobicContact CD1-SD 4.38Å; I25-I130 HydrophobicContact CD1-CD1 3.92Å; I25-I130 HydrophobicContact CG2-CD1 3.72Å; I25-F268 PolarHBondContact N-O 2.96Å; I25-F268 PolarHBondContact O-N 2.86Å
26E98Very high95.3Very high2 Ų242.3 Ų42.31%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-131.6142.8179.4-75.2172.3174.100111.1F24 N28 L36 V37 P264 Y266 N267F24-E26 HydrophobicContact CD2-CB 4.17Å; F24-E26 HydrophobicContact CD2-CG 3.58Å; F24-E26 HydrophobicContact CE2-CB 4.23Å; F24-E26 HydrophobicContact CE2-CG 3.88Å; F24-E26 WeakPolarHBondContact CE2-OE2 3.37Å; E26-N28 WeakPolarHBondContact CB-ND2 3.38Å; E26-N28 PolarHBondContact OE2-ND2 3.02Å; E26-N28 PolarHBondContact OE2-OD1 2.85Å; E26-L36 WeakPolarHBondContact O-CA 3.46Å; E26-V37 PolarHBondContact N-O 3.42Å; E26-V37 PolarHBondContact O-N 3.27Å; E26-P264 HydrophobicContact CG-CB 4.47Å; E26-Y266 VanDerWaalsContact CA-O 3.23Å; E26-Y266 WeakPolarHBondContact CA-O 3.49Å; E26-N267 HydrophobicContact CG-CB 4.02Å; E26-N267 VanDerWaalsContact CG-ND2 3.3Å; E26-N267 WeakPolarHBondContact CG-ND2 3.26Å; E26-N267 PolarHBondContact OE1-ND2 2.85Å
27V98.2Very high95.4Very high25 Ų2541.5 Ų41.515%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-104.2115.9160-178.10000106.2F34 Y35 L36 W136 L265 Y266V27-F34 HydrophobicContact CG1-CB 4.4Å; V27-Y35 WeakPolarHBondContact CA-O 3.39Å; V27-L36 HydrophobicContact CG2-CD1 4.34Å; V27-W136 HydrophobicContact CG2-CH2 4.19Å; V27-W136 HydrophobicContact CG2-CZ3 4.13Å; V27-L265 PolarHBondContact O-N 3.46Å; V27-Y266 PolarHBondContact N-O 3.45Å; V27-Y266 PolarHBondContact O-N 3.37Å; V27-Y266 VanDerWaalsContact O-N 3.12Å
28N98.4Very high95.5Very high0 Ų040.3 Ų40.30%024%0.238CC..EExtended strand (participates in β ladder)trans-109.9150.7-178.2-61-92.1000110.7E26 F34 Y35 V37 I262 R263 P264E26-N28 WeakPolarHBondContact CB-ND2 3.38Å; E26-N28 PolarHBondContact OE2-ND2 3.02Å; E26-N28 PolarHBondContact OE2-OD1 2.85Å; N28-F34 CarbonylContact O-C 3.4Å; N28-F34 VanDerWaalsContact O-CA 3.25Å; N28-F34 WeakPolarHBondContact O-CA 3.34Å; N28-Y35 PolarHBondContact N-O 3.26Å; N28-Y35 PolarHBondContact O-N 2.94Å; N28-V37 WeakPolarHBondContact ND2-CG2 3.16Å; N28-I262 HydrophobicContact CB-CB 3.84Å; N28-I262 HydrophobicContact CB-CD1 3.92Å; N28-I262 HydrophobicContact CB-CG1 3.95Å; N28-R263 CarbonylContact C-O 3.51Å; N28-R263 WeakPolarHBondContact CA-O 3.31Å; N28-R263 WeakPolarHBondContact CB-O 3.46Å; N28-R263 VanDerWaalsContact OD1-C 3.29Å; N28-P264 WeakPolarHBondContact OD1-CA 3.32Å; N28-P264 WeakPolarHBondContact OD1-CB 3.35Å; N28-P264 VanDerWaalsContact OD1-N 3.12Å
29E98.1Very high95.6Very high101 Ų10140.5 Ų40.547%0.47224%0.238SC..EExtended strand (participates in β ladder)trans-98.1130.2169.4-176.2177.3-13700109.3F34 I262 R263 L265E29-F34 HydrophobicContact CB-CD1 4.34Å; E29-F34 HydrophobicContact CB-CE1 4.28Å; E29-F34 HydrophobicContact CG-CE1 4.27Å; E29-I262 WeakPolarHBondContact O-CA 3.25Å; E29-R263 PolarHBondContact N-O 2.91Å; E29-R263 PolarHBondContact O-N 3.28Å; E29-L265 HydrophobicContact CB-CD1 3.94Å; E29-L265 HydrophobicContact CB-CD2 4.31Å; E29-L265 HydrophobicContact CB-CG 3.98Å
30G97.2Very high95.7Very high16 Ų1639.6 Ų39.617%0.16523%0.227CC..  trans-123.1-172.4168.800000111D32 G33 E260G30-D32 VanDerWaalsContact C-N 3.34Å; G30-G33 PolarHBondContact N-O 2.72Å; G30-E260 VanDerWaalsContact C-OE1 3.31Å; G30-E260 WeakPolarHBondContact CA-OE1 3.31Å
31S95.7Very high95.9Very high103 Ų10338.9 Ų38.972%0.7222%0.221SC*.SBendtrans-74.3-26.5-173.164.40000113E260S31-E260 VanDerWaalsContact CB-OE1 3.31Å; S31-E260 WeakPolarHBondContact CB-OE1 3.38Å; S31-E260 PolarHBondContact N-OE1 2.98Å; S31-E260 PolarHBondContact N-OE2 3.21Å; S31-E260 PolarHBondContact OG-OE1 3.49Å; S31-E260 PolarHBondContact OG-OE2 2.88Å
32D93.3Very high96.3Very high98 Ų9839.3 Ų39.352%0.52422%0.22SC..SBendtrans-110.7-1.9-177.465.2-22.4000113.6G30 Y35G30-D32 VanDerWaalsContact C-N 3.34Å; D32-Y35 VanDerWaalsContact CG-OH 3.24Å; D32-Y35 WeakPolarHBondContact OD1-CE2 3.49Å; D32-Y35 VanDerWaalsContact OD1-CZ 3.26Å; D32-Y35 PolarHBondContact OD1-OH 3.47Å; D32-Y35 PolarHBondContact OD2-OH 3.18Å
33G95.4Very high96.5Very high30 Ų3041 Ų4131%0.30922%0.223SC..SBendtrans150.6-150.217600000114.6G30G30-G33 PolarHBondContact N-O 2.72Å
34F97.3Very high96.4Very high143 Ų14341.7 Ų41.763%0.62723%0.229SC*.EExtended strand (participates in β ladder)trans-103.8142.4-178.9-60.1-66.8000112V27 N28 E29 L265V27-F34 HydrophobicContact CG1-CB 4.4Å; N28-F34 CarbonylContact O-C 3.4Å; N28-F34 VanDerWaalsContact O-CA 3.25Å; N28-F34 WeakPolarHBondContact O-CA 3.34Å; E29-F34 HydrophobicContact CB-CD1 4.34Å; E29-F34 HydrophobicContact CB-CE1 4.28Å; E29-F34 HydrophobicContact CG-CE1 4.27Å; F34-L265 HydrophobicContact CD1-CD1 3.85Å; F34-L265 HydrophobicContact CE1-CD1 3.4Å; F34-L265 VanDerWaalsContact CE1-CD1 3.4Å; F34-L265 HydrophobicContact CZ-CD1 4.45Å
35Y97.9Very high96.3Very high51 Ų5141.4 Ų41.420%0.223%0.227CC..EExtended strand (participates in β ladder)trans-118.4119.6-179-69-104.1000110V27 N28 D32 I262V27-Y35 WeakPolarHBondContact CA-O 3.39Å; N28-Y35 PolarHBondContact N-O 3.26Å; N28-Y35 PolarHBondContact O-N 2.94Å; D32-Y35 VanDerWaalsContact CG-OH 3.24Å; D32-Y35 WeakPolarHBondContact OD1-CE2 3.49Å; D32-Y35 VanDerWaalsContact OD1-CZ 3.26Å; D32-Y35 PolarHBondContact OD1-OH 3.47Å; D32-Y35 PolarHBondContact OD2-OH 3.18Å; Y35-I262 HydrophobicContact CD1-CD1 4.18Å; Y35-I262 HydrophobicContact CD1-CG2 4.49Å; Y35-I262 HydrophobicContact CD2-CB 4.45Å; Y35-I262 HydrophobicContact CD2-CG2 3.73Å; Y35-I262 HydrophobicContact CE2-CG2 3.82Å; Y35-I262 HydrophobicContact CG-CD1 3.92Å; Y35-I262 HydrophobicContact CG-CG2 4.1Å
36L98Very high96.1Very high52 Ų5240.9 Ų40.927%0.27223%0.227SC..EExtended strand (participates in β ladder)trans-85.9111.1166.7177.761.2000109I25 E26 V27 I38 I130 L131I25-L36 HydrophobicContact CG2-CD1 3.93Å; E26-L36 WeakPolarHBondContact O-CA 3.46Å; V27-L36 HydrophobicContact CG2-CD1 4.34Å; L36-I38 HydrophobicContact CD1-CG1 4.42Å; L36-I38 HydrophobicContact CD2-CD1 4.34Å; L36-I38 HydrophobicContact CG-CD1 4.35Å; L36-I38 HydrophobicContact CG-CG1 4.31Å; L36-I130 HydrophobicContact CD1-CD1 4.37Å; L36-I130 HydrophobicContact CD1-CG2 4.29Å; L36-I130 HydrophobicContact CD2-CB 4.2Å; L36-I130 HydrophobicContact CD2-CG2 3.92Å; L36-L131 HydrophobicContact CD2-CD2 4.23Å; L36-L131 HydrophobicContact CD2-CG 4.18Å
37V98Very high96Very high14 Ų1446.6 Ų46.69%0.08525%0.252CS..EExtended strand (participates in β ladder)trans-109125.4179.5-177.80000109.5F24 I25 E26 N28 I172 I262F24-V37 HydrophobicContact CE2-CB 4.3Å; F24-V37 HydrophobicContact CE2-CG1 3.73Å; F24-V37 HydrophobicContact CZ-CG1 4.12Å; I25-V37 CarbonylContact C-O 3.55Å; I25-V37 WeakPolarHBondContact CA-O 3.48Å; E26-V37 PolarHBondContact N-O 3.42Å; E26-V37 PolarHBondContact O-N 3.27Å; N28-V37 WeakPolarHBondContact ND2-CG2 3.16Å; V37-I172 HydrophobicContact CB-CD1 4.43Å; V37-I172 HydrophobicContact CG1-CD1 3.63Å; V37-I172 HydrophobicContact CG2-CD1 3.86Å; V37-I262 HydrophobicContact CG2-CD1 3.76Å
38I97.8Very high95.9Very high26 Ų2646.4 Ų46.413%0.13325%0.25CC..EExtended strand (participates in β ladder)trans-123117.3178.9-61174.3000108.8I25 L36 R123 M126 A127 I130I25-I38 HydrophobicContact CG1-CG1 4.35Å; I25-I38 HydrophobicContact CG1-CG2 4.44Å; I25-I38 HydrophobicContact CG2-CG1 4.3Å; L36-I38 HydrophobicContact CD1-CG1 4.42Å; L36-I38 HydrophobicContact CD2-CD1 4.34Å; L36-I38 HydrophobicContact CG-CD1 4.35Å; L36-I38 HydrophobicContact CG-CG1 4.31Å; I38-R123 HydrophobicContact CG2-CB 4.46Å; I38-R123 HydrophobicContact CG2-CG 4.23Å; I38-M126 HydrophobicContact CD1-CB 3.87Å; I38-M126 HydrophobicContact CG2-CB 4.35Å; I38-M126 HydrophobicContact CG2-CE 3.84Å; I38-M126 HydrophobicContact CG2-SD 4.1Å; I38-A127 HydrophobicContact CD1-CB 3.75Å; I38-I130 HydrophobicContact CD1-CD1 4.31Å
39R96.6Very high95.8Very high21 Ų2146.4 Ų46.48%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-107.8108.9174.5-172.5176-171.4151.511.5110.1H23 F24 H148 H198H23-R39 WeakPolarHBondContact CA-O 3.4Å; H23-R39 WeakPolarHBondContact CB-O 3.34Å; F24-R39 HydrophobicContact CD1-CB 3.71Å; F24-R39 HydrophobicContact CD1-CG 4.36Å; F24-R39 HydrophobicContact CD2-CB 4.38Å; F24-R39 HydrophobicContact CE1-CB 3.54Å; F24-R39 HydrophobicContact CE1-CG 4.08Å; F24-R39 HydrophobicContact CE2-CB 4.24Å; F24-R39 HydrophobicContact CG-CB 4.14Å; F24-R39 HydrophobicContact CZ-CB 3.82Å; F24-R39 PolarHBondContact N-O 3.42Å; F24-R39 VanDerWaalsContact N-O 3.13Å; F24-R39 PolarHBondContact O-N 3.26Å; R39-H148 PolarHBondContact NE-NE2 2.98Å; R39-H148 VanDerWaalsContact NE-NE2 3.2Å; R39-H198 PolarHBondContact NH1-O 3.5Å; R39-H198 PolarHBondContact NH2-CD2 3.46Å; R39-H198 PolarHBondContact NH2-O 3.07Å
40S95.7Very high95.7Very high2 Ų243.6 Ų43.61%0.01424%0.244CC..  trans-155.3166.2174.9-169.90000111.4T17 L18 N122 R123T17-S40 PolarHBondContact O-OG 3.1Å; L18-S40 PolarHBondContact O-OG 2.85Å; S40-N122 PolarHBondContact OG-ND2 2.72Å; S40-R123 PolarHBondContact O-NH1 3.16Å
41G93.4Very high95.7Very high15 Ų1547.4 Ų47.416%0.15526%0.258CS..  trans-123-163.1-179.100000113.5R43 N122G41-R43 PolarHBondContact O-N 3.17Å; G41-N122 PolarHBondContact O-ND2 3.47Å; G41-N122 VanDerWaalsContact O-ND2 3.15Å
42S93.9Very high95.8Very high31 Ų3146.2 Ų46.222%0.21724%0.238CC..  trans-76.10.8-177.351.30000115.2L45 G46 A115 Y118S42-L45 WeakPolarHBondContact O-CB 3.14Å; S42-L45 PolarHBondContact O-N 3.27Å; S42-G46 WeakPolarHBondContact OG-CA 3.25Å; S42-A115 WeakPolarHBondContact CB-O 3.46Å; S42-Y118 WeakPolarHBondContact O-CE1 3.43Å
43R93.5Very high96Very high77 Ų7741.9 Ų41.929%0.29122%0.215SC..Hα-helixtrans59-143.1175-47.2-57.4-59.4131.313.1111.9G19 G41 L45 Y118G19-R43 VanDerWaalsContact CA-NH1 3.31Å; G41-R43 PolarHBondContact O-N 3.17Å; R43-L45 PolarHBondContact O-N 2.83Å; R43-Y118 HydrophobicContact CG-CE1 4.44Å
44V92.3Very high96.1Very high36 Ų3643 Ų4322%0.21821%0.212CC..Hα-helixtrans-60.4-33.1-178710000112.2W10 G46 K47 E48W10-V44 HydrophobicContact CB-CG1 4.05Å; W10-V44 HydrophobicContact CE3-CG2 4.2Å; V44-G46 PolarHBondContact O-N 3.07Å; V44-K47 WeakPolarHBondContact O-CB 3.39Å; V44-K47 PolarHBondContact O-N 3.34Å; V44-K47 VanDerWaalsContact O-N 3.14Å; V44-E48 HydrophobicContact CG2-CG 4.2Å; V44-E48 WeakPolarHBondContact O-CG 3.44Å; V44-E48 PolarHBondContact O-N 3.07Å
45L95.2Very high96.1Very high4 Ų439.5 Ų39.52%0.02120%0.197CC..Hα-helixtrans-58.4-51.5-178.7176.666000112I2 I6 A11 S42 R43 K47 E48 I49 Y118I2-L45 HydrophobicContact CD1-CD1 3.89Å; I6-L45 HydrophobicContact CB-CD1 4.16Å; I6-L45 HydrophobicContact CD1-CD1 3.48Å; I6-L45 VanDerWaalsContact CD1-CD1 3.48Å; I6-L45 HydrophobicContact CG1-CD1 4.4Å; I6-L45 HydrophobicContact CG2-CD1 3.83Å; A11-L45 HydrophobicContact CB-CB 4.35Å; A11-L45 HydrophobicContact CB-CD1 4.31Å; S42-L45 WeakPolarHBondContact O-CB 3.14Å; S42-L45 PolarHBondContact O-N 3.27Å; R43-L45 PolarHBondContact O-N 2.83Å; L45-K47 VanDerWaalsContact C-N 3.25Å; L45-K47 PolarHBondContact O-N 3.06Å; L45-E48 PolarHBondContact O-N 3.44Å; L45-I49 HydrophobicContact CD1-CD1 3.99Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 WeakPolarHBondContact O-CG1 3.33Å; L45-I49 PolarHBondContact O-N 3.25Å; L45-I49 VanDerWaalsContact O-N 3.09Å; L45-Y118 HydrophobicContact CD2-CD1 3.87Å; L45-Y118 HydrophobicContact CD2-CD2 3.65Å; L45-Y118 HydrophobicContact CD2-CE2 4.29Å; L45-Y118 HydrophobicContact CD2-CG 3.41Å; L45-Y118 VanDerWaalsContact CD2-CG 3.41Å
46G95.2Very high96.1Very high11 Ų1138.6 Ų38.611%0.11320%0.196CC..Hα-helixtrans-65.7-31179.200000112.9S42 V44 A50S42-G46 WeakPolarHBondContact OG-CA 3.25Å; V44-G46 PolarHBondContact O-N 3.07Å; G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 3.17Å; G46-A50 VanDerWaalsContact O-N 3.08Å
47K94.1Very high96.1Very high122 Ų12236.3 Ų36.353%0.5318%0.184SC..Hα-helixtrans-66-50.3175.4-177.3-170.8167-165.30110.9V44 L45 I49 A50 E51V44-K47 WeakPolarHBondContact O-CB 3.39Å; V44-K47 PolarHBondContact O-N 3.34Å; V44-K47 VanDerWaalsContact O-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.25Å; L45-K47 PolarHBondContact O-N 3.06Å; K47-I49 VanDerWaalsContact C-N 3.32Å; K47-I49 PolarHBondContact O-N 2.7Å; K47-A50 PolarHBondContact O-N 3.2Å; K47-E51 WeakPolarHBondContact CE-OE1 3.31Å; K47-E51 WeakPolarHBondContact CE-OE2 3.39Å; K47-E51 HydrophobicContact CG-CG 4.43Å; K47-E51 IonicContact NZ-OE1 2.78Å; K47-E51 PolarHBondContact NZ-OE1 2.89Å; K47-E51 IonicContact NZ-OE2 2.65Å; K47-E51 WeakPolarHBondContact O-CG 3.19Å; K47-E51 PolarHBondContact O-N 3.26Å
48E96.5Very high96.1Very high21 Ų2140.1 Ų40.110%0.09820%0.197CC..Hα-helixtrans-62.3-39.8-179.3-71178.5164.700112.2I6 H7 V44 L45 Y52I6-E48 VanDerWaalsContact CA-OE2 3.3Å; I6-E48 WeakPolarHBondContact CA-OE2 3.17Å; I6-E48 WeakPolarHBondContact CB-OE2 3.38Å; I6-E48 HydrophobicContact CG2-CB 4.13Å; H7-E48 IonicContact CE1-OE1 3.76Å; H7-E48 IonicContact CG-OE1 2.82Å; H7-E48 PolarHBondContact N-OE2 3.22Å; H7-E48 IonicContact ND1-OE1 3.87Å; H7-E48 PolarHBondContact ND1-OE1 3.48Å; H7-E48 IonicContact ND1-OE2 3.59Å; V44-E48 HydrophobicContact CG2-CG 4.2Å; V44-E48 WeakPolarHBondContact O-CG 3.44Å; V44-E48 PolarHBondContact O-N 3.07Å; L45-E48 PolarHBondContact O-N 3.44Å; E48-Y52 VanDerWaalsContact O-CB 3.29Å; E48-Y52 WeakPolarHBondContact O-CB 3.38Å; E48-Y52 PolarHBondContact O-N 3.04Å
49I97.2Very high96.1Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-61.1-49.4174-72.8165.3000110.5I2 A4 I6 L45 K47 E51 Y52 H53 D111 M112 A115I2-I49 HydrophobicContact CD1-CD1 4.49Å; I2-I49 HydrophobicContact CG2-CD1 4.27Å; I2-I49 HydrophobicContact CG2-CG1 4.2Å; A4-I49 HydrophobicContact CB-CB 4.47Å; A4-I49 HydrophobicContact CB-CG1 3.95Å; I6-I49 HydrophobicContact CG2-CG1 4.07Å; L45-I49 HydrophobicContact CD1-CD1 3.99Å; L45-I49 HydrophobicContact CG-CD1 4.01Å; L45-I49 WeakPolarHBondContact O-CG1 3.33Å; L45-I49 PolarHBondContact O-N 3.25Å; L45-I49 VanDerWaalsContact O-N 3.09Å; K47-I49 VanDerWaalsContact C-N 3.32Å; K47-I49 PolarHBondContact O-N 2.7Å; I49-E51 PolarHBondContact O-N 3.18Å; I49-Y52 PolarHBondContact O-N 3.29Å; I49-H53 PolarHBondContact O-CD2 3.46Å; I49-H53 VanDerWaalsContact O-CD2 3.23Å; I49-H53 PolarHBondContact O-N 2.55Å; I49-H53 VanDerWaalsContact O-N 3.07Å; I49-D111 HydrophobicContact CD1-CB 4.19Å; I49-D111 HydrophobicContact CG1-CB 4.23Å; I49-D111 HydrophobicContact CG2-CB 3.63Å; I49-M112 HydrophobicContact CG2-SD 4.08Å; I49-A115 HydrophobicContact CD1-CB 3.83Å
50A95.3Very high96.1Very high43 Ų4347.4 Ų47.436%0.35523%0.23SC..Hα-helixtrans-62.2-45.6-179.600000112G46 K47 H53 Q54G46-A50 WeakPolarHBondContact O-CB 3.46Å; G46-A50 PolarHBondContact O-N 3.17Å; G46-A50 VanDerWaalsContact O-N 3.08Å; K47-A50 PolarHBondContact O-N 3.2Å; A50-H53 PolarHBondContact O-N 3.33Å; A50-Q54 VanDerWaalsContact O-CB 3.27Å; A50-Q54 WeakPolarHBondContact O-CB 3.09Å; A50-Q54 PolarHBondContact O-N 3.25Å
51E96.8Very high96.2Very high96 Ų9647.8 Ų47.845%0.44923%0.232SC..Hα-helixtrans-63.4-41.5178.7-72.9176.4157.300111.9K47 I49 E55K47-E51 WeakPolarHBondContact CE-OE1 3.31Å; K47-E51 WeakPolarHBondContact CE-OE2 3.39Å; K47-E51 HydrophobicContact CG-CG 4.43Å; K47-E51 IonicContact NZ-OE1 2.78Å; K47-E51 PolarHBondContact NZ-OE1 2.89Å; K47-E51 IonicContact NZ-OE2 2.65Å; K47-E51 WeakPolarHBondContact O-CG 3.19Å; K47-E51 PolarHBondContact O-N 3.26Å; I49-E51 PolarHBondContact O-N 3.18Å; E51-E55 WeakPolarHBondContact O-CB 3.47Å; E51-E55 PolarHBondContact O-N 3.13Å
52Y97.9Very high96.3Very high77 Ų7749 Ų4930%0.30224%0.236SC..Hα-helixtrans-61.1-52.3176.5172-106.2000112A4 P5 E48 I49 Q54 E55 I56A4-Y52 VanDerWaalsContact CA-CD1 3.43Å; A4-Y52 HydrophobicContact CB-CD1 3.46Å; A4-Y52 VanDerWaalsContact CB-CD1 3.46Å; A4-Y52 HydrophobicContact CB-CE1 4.2Å; A4-Y52 HydrophobicContact CB-CG 3.75Å; P5-Y52 VanDerWaalsContact CD-CE2 3.48Å; P5-Y52 HydrophobicContact CG-CD2 3.92Å; P5-Y52 HydrophobicContact CG-CE2 4.18Å; E48-Y52 VanDerWaalsContact O-CB 3.29Å; E48-Y52 WeakPolarHBondContact O-CB 3.38Å; E48-Y52 PolarHBondContact O-N 3.04Å; I49-Y52 PolarHBondContact O-N 3.29Å; Y52-Q54 VanDerWaalsContact C-N 3.32Å; Y52-Q54 PolarHBondContact O-N 3.5Å; Y52-E55 WeakPolarHBondContact O-CB 3.25Å; Y52-E55 PolarHBondContact O-N 3.28Å; Y52-E55 VanDerWaalsContact O-N 3.17Å; Y52-I56 HydrophobicContact CD1-CG1 4.45Å; Y52-I56 HydrophobicContact CD2-CG1 4.39Å; Y52-I56 HydrophobicContact CE1-CG1 4.05Å; Y52-I56 HydrophobicContact CE2-CD1 3.98Å; Y52-I56 HydrophobicContact CE2-CG1 3.97Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.63Å
53H98Very high96.5Very high8 Ų851.9 Ų51.94%0.03725%0.246CC..Hα-helixtrans-69.5-30.4-177.6-74.9-74.9000112.6I49 A50 E55 I56 A57 Y108 D111I49-H53 PolarHBondContact O-CD2 3.46Å; I49-H53 VanDerWaalsContact O-CD2 3.23Å; I49-H53 PolarHBondContact O-N 2.55Å; I49-H53 VanDerWaalsContact O-N 3.07Å; A50-H53 PolarHBondContact O-N 3.33Å; H53-E55 VanDerWaalsContact C-N 3.34Å; H53-I56 PolarHBondContact O-N 3.09Å; H53-A57 WeakPolarHBondContact O-CB 3.3Å; H53-A57 PolarHBondContact O-N 3.02Å; H53-Y108 HydrophobicContact CB-CD2 3.59Å; H53-Y108 HydrophobicContact CB-CE2 4.29Å; H53-Y108 HydrophobicContact CB-CG 4.25Å; H53-Y108 AromaticContact CD2-CD2 3.66Å; H53-Y108 VanDerWaalsContact CE1-CA 3.41Å; H53-Y108 WeakPolarHBondContact CE1-CA 3.34Å; H53-Y108 PolarHBondContact CE1-N 3.49Å; H53-Y108 VanDerWaalsContact CE1-N 3.35Å; H53-Y108 AromaticContact CG-CD2 3.55Å; H53-D111 IonicContact CD2-OD2 3.93Å; H53-D111 IonicContact CE1-OD2 3.82Å; H53-D111 IonicContact NE2-OD2 2.77Å; H53-D111 PolarHBondContact NE2-OD2 3.01Å
54Q97.8Very high96.6Very high54 Ų5453 Ų5325%0.25226%0.256SS..Hα-helixtrans-63.3-40.7171-168.266.75700111.7A50 Y52 A57 Y58 Y95 S98A50-Q54 VanDerWaalsContact O-CB 3.27Å; A50-Q54 WeakPolarHBondContact O-CB 3.09Å; A50-Q54 PolarHBondContact O-N 3.25Å; Y52-Q54 VanDerWaalsContact C-N 3.32Å; Y52-Q54 PolarHBondContact O-N 3.5Å; Q54-A57 WeakPolarHBondContact O-CB 3.44Å; Q54-A57 PolarHBondContact O-N 2.92Å; Q54-Y58 PolarHBondContact O-N 3.2Å; Q54-Y95 HydrophobicContact CG-CD1 4.22Å; Q54-Y95 HydrophobicContact CG-CE1 3.54Å; Q54-Y95 HydrophobicContact CG-CE2 4.34Å; Q54-Y95 PolarHBondContact NE2-O 2.65Å; Q54-S98 PolarHBondContact NE2-O 2.91Å
55E98Very high96.8Very high69 Ų6953.9 Ų53.932%0.32226%0.256SS..Hα-helixtrans-67.2-43.7176.7-173.458.7-152.200111.6E51 Y52 H53 A57 Y58 Q59 Y95E51-E55 WeakPolarHBondContact O-CB 3.47Å; E51-E55 PolarHBondContact O-N 3.13Å; Y52-E55 WeakPolarHBondContact O-CB 3.25Å; Y52-E55 PolarHBondContact O-N 3.28Å; Y52-E55 VanDerWaalsContact O-N 3.17Å; H53-E55 VanDerWaalsContact C-N 3.34Å; E55-A57 VanDerWaalsContact C-N 3.33Å; E55-A57 PolarHBondContact O-N 2.92Å; E55-Y58 PolarHBondContact O-N 2.76Å; E55-Q59 HydrophobicContact CG-CG 4.43Å; E55-Q59 WeakPolarHBondContact O-CB 3.33Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.31Å; E55-Q59 PolarHBondContact O-N 2.8Å; E55-Q59 WeakPolarHBondContact OE1-CG 3.37Å; E55-Q59 PolarHBondContact OE1-NE2 2.91Å; E55-Y95 WeakPolarHBondContact OE2-CE2 3.32Å; E55-Y95 PolarHBondContact OE2-OH 2.78Å
56I97.9Very high96.9Very high32 Ų3258.4 Ų58.416%0.16428%0.277CS..Hα-helixtrans-57.9-46.7174-64.7-60.3000110.9Y52 H53 Y58 Q59 K60 V100 D104Y52-I56 HydrophobicContact CD1-CG1 4.45Å; Y52-I56 HydrophobicContact CD2-CG1 4.39Å; Y52-I56 HydrophobicContact CE1-CG1 4.05Å; Y52-I56 HydrophobicContact CE2-CD1 3.98Å; Y52-I56 HydrophobicContact CE2-CG1 3.97Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.63Å; H53-I56 PolarHBondContact O-N 3.09Å; I56-Y58 PolarHBondContact O-N 3.08Å; I56-Q59 PolarHBondContact O-N 3.23Å; I56-K60 HydrophobicContact CG2-CG 4.38Å; I56-K60 WeakPolarHBondContact O-CB 3.22Å; I56-K60 WeakPolarHBondContact O-CG 3.23Å; I56-K60 PolarHBondContact O-N 2.85Å; I56-V100 HydrophobicContact CG2-CG1 4.38Å; I56-D104 HydrophobicContact CG2-CB 4.45Å
57A98Very high97Very high3 Ų360.9 Ų60.93%0.02529%0.287CS..Hα-helixtrans-54.7-51.7176.400000111.9H53 Q54 E55 Q59 K60 L61 Y99 V100H53-A57 WeakPolarHBondContact O-CB 3.3Å; H53-A57 PolarHBondContact O-N 3.02Å; Q54-A57 WeakPolarHBondContact O-CB 3.44Å; Q54-A57 PolarHBondContact O-N 2.92Å; E55-A57 VanDerWaalsContact C-N 3.33Å; E55-A57 PolarHBondContact O-N 2.92Å; A57-Q59 PolarHBondContact O-N 2.98Å; A57-K60 PolarHBondContact O-N 3.15Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 WeakPolarHBondContact O-CG 2.99Å; A57-L61 PolarHBondContact O-N 3.39Å; A57-L61 VanDerWaalsContact O-N 3.08Å; A57-Y99 WeakPolarHBondContact CB-O 3.3Å; A57-V100 HydrophobicContact CB-CG1 3.88Å
58Y97.8Very high97.2Very high94 Ų9456 Ų5637%0.36927%0.267SS..Hα-helixtrans-63.3-43.1-178.6177.6-109.5000112.4Q54 E55 I56 T62 Y95Q54-Y58 PolarHBondContact O-N 3.2Å; E55-Y58 PolarHBondContact O-N 2.76Å; I56-Y58 PolarHBondContact O-N 3.08Å; Y58-T62 VanDerWaalsContact O-CB 3.26Å; Y58-T62 WeakPolarHBondContact O-CB 3.35Å; Y58-T62 PolarHBondContact O-N 3.48Å; Y58-T62 PolarHBondContact O-OG1 2.7Å; Y58-Y95 AromaticContact CD1-CD2 3.89Å; Y58-Y95 HydrophobicContact CD1-CD2 3.89Å; Y58-Y95 HydrophobicContact CD1-CE2 4.21Å; Y58-Y95 AromaticContact CD2-CD2 3.83Å; Y58-Y95 HydrophobicContact CD2-CD2 3.83Å; Y58-Y95 HydrophobicContact CE2-CD2 4.46Å; Y58-Y95 AromaticContact CG-CD2 3.5Å; Y58-Y95 HydrophobicContact CG-CD2 3.5Å; Y58-Y95 VanDerWaalsContact CG-CD2 3.5Å; Y58-Y95 HydrophobicContact CG-CE2 4.02Å
59Q97.2Very high97.2Very high100 Ų10060 Ų6047%0.46728%0.284SS..Hα-helixtrans-65.4-44.8179.5-72.2178.73.700111.8E55 I56 A57 T62 Q63E55-Q59 HydrophobicContact CG-CG 4.43Å; E55-Q59 WeakPolarHBondContact O-CB 3.33Å; E55-Q59 VanDerWaalsContact O-CG 3.28Å; E55-Q59 WeakPolarHBondContact O-CG 3.31Å; E55-Q59 PolarHBondContact O-N 2.8Å; E55-Q59 WeakPolarHBondContact OE1-CG 3.37Å; E55-Q59 PolarHBondContact OE1-NE2 2.91Å; I56-Q59 PolarHBondContact O-N 3.23Å; A57-Q59 PolarHBondContact O-N 2.98Å; Q59-T62 WeakPolarHBondContact O-CB 3.5Å; Q59-T62 PolarHBondContact O-N 3.03Å; Q59-Q63 PolarHBondContact O-N 3.04Å
60K96.9Very high97.2Very high101 Ų10165.2 Ų65.244%0.43931%0.311SS..Hα-helixtrans-64.8-45.8179.2-74.6-147.7-176.1175.70112.4I56 A57 T62 Q63 M64 D104I56-K60 HydrophobicContact CG2-CG 4.38Å; I56-K60 WeakPolarHBondContact O-CB 3.22Å; I56-K60 WeakPolarHBondContact O-CG 3.23Å; I56-K60 PolarHBondContact O-N 2.85Å; A57-K60 PolarHBondContact O-N 3.15Å; K60-T62 VanDerWaalsContact C-N 3.27Å; K60-T62 PolarHBondContact O-N 3.34Å; K60-Q63 PolarHBondContact O-N 3.12Å; K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.17Å; K60-M64 PolarHBondContact O-N 2.84Å; K60-D104 WeakPolarHBondContact CD-OD2 3.25Å; K60-D104 WeakPolarHBondContact CE-OD2 3.45Å; K60-D104 IonicContact NZ-OD1 2.87Å; K60-D104 PolarHBondContact NZ-OD1 3.45Å; K60-D104 IonicContact NZ-OD2 2.57Å; K60-D104 PolarHBondContact NZ-OD2 3.17Å
61L96.9Very high97.3Very high10 Ų1067.9 Ų67.95%0.05232%0.316CS..Hα-helixtrans-62.4-38.5175.4-67.9172.8000111.4A57 R65 I91 I93 Y99A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 WeakPolarHBondContact O-CG 2.99Å; A57-L61 PolarHBondContact O-N 3.39Å; A57-L61 VanDerWaalsContact O-N 3.08Å; L61-R65 VanDerWaalsContact O-CG 3.25Å; L61-R65 WeakPolarHBondContact O-CG 3.49Å; L61-R65 PolarHBondContact O-N 2.95Å; L61-I91 HydrophobicContact CD2-CB 4.42Å; L61-I93 HydrophobicContact CD1-CD1 3.52Å; L61-I93 HydrophobicContact CD1-CG1 3.89Å; L61-Y99 HydrophobicContact CD1-CD1 4.22Å; L61-Y99 HydrophobicContact CD1-CE1 4.22Å; L61-Y99 HydrophobicContact CD2-CE1 4.39Å; L61-Y99 HydrophobicContact CD2-CE2 4.32Å
62T96.6Very high97.3Very high39 Ų3963.6 Ų63.624%0.23930%0.297CS..Hα-helixtrans-62.6-43.2174.4-63.80000111.9Y58 Q59 K60 R65 Q66Y58-T62 VanDerWaalsContact O-CB 3.26Å; Y58-T62 WeakPolarHBondContact O-CB 3.35Å; Y58-T62 PolarHBondContact O-N 3.48Å; Y58-T62 PolarHBondContact O-OG1 2.7Å; Q59-T62 WeakPolarHBondContact O-CB 3.5Å; Q59-T62 PolarHBondContact O-N 3.03Å; K60-T62 VanDerWaalsContact C-N 3.27Å; K60-T62 PolarHBondContact O-N 3.34Å; T62-R65 WeakPolarHBondContact O-CB 3.33Å; T62-R65 PolarHBondContact O-N 3.41Å; T62-Q66 WeakPolarHBondContact O-CG 3.35Å; T62-Q66 PolarHBondContact O-N 2.81Å; T62-Q66 VanDerWaalsContact O-N 3.16Å
63Q96.7Very high97.1Very high92 Ų9267 Ų6743%0.4331%0.314SS..Hα-helixtrans-65.1-48177.4-173.859.153.700111.5Q59 K60 R65 Q66 D67Q59-Q63 PolarHBondContact O-N 3.04Å; K60-Q63 PolarHBondContact O-N 3.12Å; Q63-R65 PolarHBondContact O-N 2.79Å; Q63-Q66 WeakPolarHBondContact O-CA 3.49Å; Q63-Q66 WeakPolarHBondContact O-CB 3.3Å; Q63-Q66 PolarHBondContact O-N 3.06Å; Q63-D67 PolarHBondContact NE2-OD1 3.22Å; Q63-D67 PolarHBondContact O-N 3.24Å
64M96.7Very high97.1Very high101 Ų10170.2 Ų70.250%0.49834%0.342SS..Hα-helixtrans-55.7-38.1176.2-69.7177.781.300111.7K60 Q66 D67 L68 I91K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.17Å; K60-M64 PolarHBondContact O-N 2.84Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 2.83Å; M64-D67 PolarHBondContact O-N 3.11Å; M64-L68 WeakPolarHBondContact O-CB 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.37Å; M64-L68 PolarHBondContact O-N 3.39Å; M64-I91 HydrophobicContact CB-CD1 3.8Å
65R96.6Very high96.9Very high54 Ų5468.3 Ų68.320%0.20434%0.335CS..Hα-helixtrans-66.5-33.1174.3-73-178.874.1-132.7-5.3113.8L61 T62 Q63 K69 R88 E89 I91L61-R65 VanDerWaalsContact O-CG 3.25Å; L61-R65 WeakPolarHBondContact O-CG 3.49Å; L61-R65 PolarHBondContact O-N 2.95Å; T62-R65 WeakPolarHBondContact O-CB 3.33Å; T62-R65 PolarHBondContact O-N 3.41Å; Q63-R65 PolarHBondContact O-N 2.79Å; R65-K69 WeakPolarHBondContact O-CB 3.34Å; R65-K69 PolarHBondContact O-N 2.76Å; R65-R88 HydrophobicContact CB-CG 4.24Å; R65-R88 HydrophobicContact CG-CG 4.29Å; R65-R88 PolarHBondContact NE-O 2.83Å; R65-R88 WeakPolarHBondContact O-CD 3.37Å; R65-R88 PolarHBondContact O-NE 2.87Å; R65-E89 IonicContact NH2-OE1 3.8Å; R65-I91 HydrophobicContact CB-CD1 4.44Å; R65-I91 HydrophobicContact CG-CD1 3.43Å; R65-I91 VanDerWaalsContact CG-CD1 3.43Å; R65-I91 HydrophobicContact CG-CG1 3.41Å; R65-I91 VanDerWaalsContact CG-CG1 3.41Å
66Q97.1Very high96.7Very high100 Ų10072.3 Ų72.347%0.46736%0.359SS..Hα-helixtrans-70.7-41.5174.4-67.7178.22100110.4T62 Q63 M64 K69 L70T62-Q66 WeakPolarHBondContact O-CG 3.35Å; T62-Q66 PolarHBondContact O-N 2.81Å; T62-Q66 VanDerWaalsContact O-N 3.16Å; Q63-Q66 WeakPolarHBondContact O-CA 3.49Å; Q63-Q66 WeakPolarHBondContact O-CB 3.3Å; Q63-Q66 PolarHBondContact O-N 3.06Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 2.83Å; Q66-K69 WeakPolarHBondContact O-CB 3.41Å; Q66-K69 PolarHBondContact O-N 2.94Å; Q66-L70 WeakPolarHBondContact O-CG 3.2Å; Q66-L70 PolarHBondContact O-N 3.24Å
67D97.8Very high96.6Very high63 Ų6376.7 Ų76.734%0.33738%0.379SS..Hα-helixtrans-64.8-47.9179.1-60.1-20000111Q63 M64 K69 L70 Q71Q63-D67 PolarHBondContact NE2-OD1 3.22Å; Q63-D67 PolarHBondContact O-N 3.24Å; M64-D67 PolarHBondContact O-N 3.11Å; D67-K69 PolarHBondContact O-N 3.42Å; D67-L70 WeakPolarHBondContact O-CB 3.26Å; D67-L70 PolarHBondContact O-N 3.04Å; D67-Q71 WeakPolarHBondContact O-CG 3.49Å; D67-Q71 PolarHBondContact O-N 2.96Å
68L97.6Very high96.4Very high18 Ų1881 Ų819%0.09441%0.406CS..Hα-helixtrans-59.1-35.6174.1-72.2169.3000112.3M64 L70 Q71 A72 L84 Q87 R88 I91M64-L68 WeakPolarHBondContact O-CB 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.37Å; M64-L68 PolarHBondContact O-N 3.39Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-Q71 PolarHBondContact O-N 2.76Å; L68-A72 VanDerWaalsContact O-CB 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.11Å; L68-A72 PolarHBondContact O-N 3.16Å; L68-L84 HydrophobicContact CD2-CD2 3.78Å; L68-Q87 HydrophobicContact CD1-CB 4.06Å; L68-Q87 HydrophobicContact CD2-CB 4.31Å; L68-R88 HydrophobicContact CB-CB 3.91Å; L68-R88 HydrophobicContact CB-CG 4.43Å; L68-R88 HydrophobicContact CD1-CB 4.05Å; L68-I91 HydrophobicContact CD1-CD1 3.71Å; L68-I91 HydrophobicContact CD1-CG1 4.46Å
69K96.6Very high96.3Very high105 Ų10583 Ų8346%0.45742%0.424SS..Hα-helixtrans-65.6-37.6174.9-177.3-178177.7-1770111.9R65 Q66 D67 K73R65-K69 WeakPolarHBondContact O-CB 3.34Å; R65-K69 PolarHBondContact O-N 2.76Å; Q66-K69 WeakPolarHBondContact O-CB 3.41Å; Q66-K69 PolarHBondContact O-N 2.94Å; D67-K69 PolarHBondContact O-N 3.42Å; K69-K73 WeakPolarHBondContact O-CG 3.41Å; K69-K73 PolarHBondContact O-N 3.35Å
70L97.2Very high96.3Very high111 Ų11183.1 Ų83.158%0.58142%0.424SS*.Hα-helixtrans-72-42.8177.1-68.7173.6000110.9Q66 D67 L68 K73 A74Q66-L70 WeakPolarHBondContact O-CG 3.2Å; Q66-L70 PolarHBondContact O-N 3.24Å; D67-L70 WeakPolarHBondContact O-CB 3.26Å; D67-L70 PolarHBondContact O-N 3.04Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L70-K73 WeakPolarHBondContact O-CB 3.47Å; L70-K73 PolarHBondContact O-N 3.4Å; L70-A74 PolarHBondContact O-N 2.9Å; L70-A74 VanDerWaalsContact O-N 3.11Å
71Q97.1Very high96.2Very high98 Ų9883 Ų8346%0.45842%0.423SS..Hα-helixtrans-59.6-48.4175.1-67.5171.316.300111.1D67 L68 K73 A74 A75 L84D67-Q71 WeakPolarHBondContact O-CG 3.49Å; D67-Q71 PolarHBondContact O-N 2.96Å; L68-Q71 PolarHBondContact O-N 2.76Å; Q71-K73 PolarHBondContact O-N 2.94Å; Q71-K73 VanDerWaalsContact O-N 3.15Å; Q71-A74 CarbonylContact O-C 3.47Å; Q71-A74 PolarHBondContact O-N 3.03Å; Q71-A75 PolarHBondContact O-N 2.75Å; Q71-L84 HydrophobicContact CB-CD1 3.89Å; Q71-L84 HydrophobicContact CB-CD2 4.18Å
72A96.3Very high96.2Very high6 Ų685.2 Ų85.25%0.0544%0.443CS..Hα-helixtrans-63.2-23.5178.100000113.9L68 K81 L84 I85L68-A72 VanDerWaalsContact O-CB 3.31Å; L68-A72 WeakPolarHBondContact O-CB 3.11Å; L68-A72 PolarHBondContact O-N 3.16Å; A72-K81 HydrophobicContact CB-CG 4.49Å; A72-K81 WeakPolarHBondContact O-CD 3.23Å; A72-K81 WeakPolarHBondContact O-CE 3.48Å; A72-K81 WeakPolarHBondContact O-CG 3.39Å; A72-L84 HydrophobicContact CB-CB 3.8Å; A72-L84 HydrophobicContact CB-CD1 4.37Å; A72-I85 HydrophobicContact CB-CG1 4.03Å
73K95.4Very high96.3Very high149 Ų14987 Ų8765%0.64845%0.452SS*.Hα-helixtrans-79.4-29.7173-78.2179.2173.3-167.30112.8K69 L70 Q71K69-K73 WeakPolarHBondContact O-CG 3.41Å; K69-K73 PolarHBondContact O-N 3.35Å; L70-K73 WeakPolarHBondContact O-CB 3.47Å; L70-K73 PolarHBondContact O-N 3.4Å; Q71-K73 PolarHBondContact O-N 2.94Å; Q71-K73 VanDerWaalsContact O-N 3.15Å
74A96.3Very high96.3Very high75 Ų7583.2 Ų83.262%0.6243%0.434SS*.Hα-helixtrans-89.5-19.5-179.900000113.1L70 Q71L70-A74 PolarHBondContact O-N 2.9Å; L70-A74 VanDerWaalsContact O-N 3.11Å; Q71-A74 CarbonylContact O-C 3.47Å; Q71-A74 PolarHBondContact O-N 3.03Å
75A94.9Very high96.3Very high15 Ų1582.3 Ų82.312%0.12443%0.43CS..  trans-62.5130.9176.300000111.4Q71 E80 K81 L84Q71-A75 PolarHBondContact O-N 2.75Å; A75-E80 HydrophobicContact CB-CB 4.45Å; A75-E80 HydrophobicContact CB-CG 4.09Å; A75-K81 HydrophobicContact CB-CB 4.14Å; A75-L84 HydrophobicContact CB-CD1 4.09Å
76N94.2Very high96.4Very high152 Ų15285 Ų8581%0.81345%0.445SS*.  trans-90.4-34.4179.4-66.7-48000111.9
77E95.3Very high96.3Very high124 Ų12483.9 Ų83.958%0.57944%0.44SS*.SBendtrans-80.9130.1-178.5-66.6-57.7143.400110.9D79 E80 K81E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.93Å; E77-E80 HydrophobicContact CB-CB 4.05Å; E77-E80 PolarHBondContact O-N 3.5Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 PolarHBondContact O-N 3.35Å
78P94.1Very high96.3Very high94 Ų9483.7 Ų83.761%0.6144%0.435SS*.Hα-helixtrans-57.4-38.4179.4-26.634.9000113.9K81 A82P78-K81 PolarHBondContact O-N 2.82Å; P78-A82 WeakPolarHBondContact O-CB 3.18Å; P78-A82 PolarHBondContact O-N 2.61Å
79D96Very high96.2Very high137 Ų13786.6 Ų86.673%0.73345%0.448SS*.Hα-helixtrans-69.8-43.9-178.4-67.6-20.5000111.5E77 K81 A82 D83E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.93Å; D79-K81 VanDerWaalsContact C-N 3.32Å; D79-K81 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact O-N 3.15Å; D79-D83 PolarHBondContact O-N 2.89Å
80E95.8Very high96.1Very high102 Ų10287.4 Ų87.448%0.47745%0.453SS..Hα-helixtrans-60-44.6174-176.6-171.5179.300110.9A75 E77 A82 D83 L84A75-E80 HydrophobicContact CB-CB 4.45Å; A75-E80 HydrophobicContact CB-CG 4.09Å; E77-E80 HydrophobicContact CB-CB 4.05Å; E77-E80 PolarHBondContact O-N 3.5Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.12Å; E80-D83 PolarHBondContact O-N 3.46Å; E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.81Å
81K96.2Very high96Very high97 Ų9783.4 Ų83.442%0.42243%0.432SS..Hα-helixtrans-62-41.6176.9179170.8-175.8178.30112.3A72 A75 E77 P78 D79 I85A72-K81 HydrophobicContact CB-CG 4.49Å; A72-K81 WeakPolarHBondContact O-CD 3.23Å; A72-K81 WeakPolarHBondContact O-CE 3.48Å; A72-K81 WeakPolarHBondContact O-CG 3.39Å; A75-K81 HydrophobicContact CB-CB 4.14Å; E77-K81 WeakPolarHBondContact O-CB 3.43Å; E77-K81 PolarHBondContact O-N 3.35Å; P78-K81 PolarHBondContact O-N 2.82Å; D79-K81 VanDerWaalsContact C-N 3.32Å; D79-K81 PolarHBondContact O-N 2.9Å; K81-I85 HydrophobicContact CG-CD1 4.06Å; K81-I85 WeakPolarHBondContact O-CD1 3.45Å; K81-I85 VanDerWaalsContact O-CG1 3.25Å; K81-I85 WeakPolarHBondContact O-CG1 2.88Å; K81-I85 PolarHBondContact O-N 2.67Å; K81-I85 VanDerWaalsContact O-N 3.13Å
82A96.5Very high95.9Very high57 Ų5784.4 Ų84.447%0.47144%0.435SS..Hα-helixtrans-64.4-44177.800000111.3P78 D79 E80 I85 Q86P78-A82 WeakPolarHBondContact O-CB 3.18Å; P78-A82 PolarHBondContact O-N 2.61Å; D79-A82 PolarHBondContact O-N 3.15Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.12Å; A82-I85 PolarHBondContact O-N 3.46Å; A82-Q86 PolarHBondContact O-N 2.87Å
83D97.3Very high95.8Very high77 Ų7786.4 Ų86.441%0.41244%0.444SS..Hα-helixtrans-60.3-48.2176.9-175.767.2000112D79 E80 I85 Q86 Q87D79-D83 PolarHBondContact O-N 2.89Å; E80-D83 PolarHBondContact O-N 3.46Å; D83-I85 VanDerWaalsContact C-N 3.3Å; D83-I85 PolarHBondContact O-N 2.89Å; D83-Q86 WeakPolarHBondContact O-CA 3.21Å; D83-Q86 WeakPolarHBondContact O-CB 3.28Å; D83-Q86 PolarHBondContact O-N 3.1Å; D83-Q87 WeakPolarHBondContact O-CG 3.15Å; D83-Q87 PolarHBondContact O-N 3.41Å; D83-Q87 PolarHBondContact OD2-NE2 2.81Å
84L97.6Very high95.8Very high13 Ų1383.2 Ų83.27%0.06844%0.439CS..Hα-helixtrans-61.9-36177.2-69.4167000112.9L68 Q71 A72 A75 E80 R88L68-L84 HydrophobicContact CD2-CD2 3.78Å; Q71-L84 HydrophobicContact CB-CD1 3.89Å; Q71-L84 HydrophobicContact CB-CD2 4.18Å; A72-L84 HydrophobicContact CB-CB 3.8Å; A72-L84 HydrophobicContact CB-CD1 4.37Å; A75-L84 HydrophobicContact CB-CD1 4.09Å; E80-L84 HydrophobicContact CG-CD1 4.08Å; E80-L84 VanDerWaalsContact O-CG 3.31Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 2.81Å; L84-R88 WeakPolarHBondContact O-CB 3.21Å; L84-R88 PolarHBondContact O-N 3.29Å; L84-R88 VanDerWaalsContact O-N 3.14Å
85I96.9Very high95.8Very high81 Ų8183.7 Ų83.742%0.41543%0.425SS..Hα-helixtrans-66.8-41.3174.3-71167.7000110.5A72 K81 A82 D83 R88 E89A72-I85 HydrophobicContact CB-CG1 4.03Å; K81-I85 HydrophobicContact CG-CD1 4.06Å; K81-I85 WeakPolarHBondContact O-CD1 3.45Å; K81-I85 VanDerWaalsContact O-CG1 3.25Å; K81-I85 WeakPolarHBondContact O-CG1 2.88Å; K81-I85 PolarHBondContact O-N 2.67Å; K81-I85 VanDerWaalsContact O-N 3.13Å; A82-I85 PolarHBondContact O-N 3.46Å; D83-I85 VanDerWaalsContact C-N 3.3Å; D83-I85 PolarHBondContact O-N 2.89Å; I85-R88 PolarHBondContact O-N 3.36Å; I85-E89 PolarHBondContact O-N 3.13Å; I85-E89 VanDerWaalsContact O-N 3.16Å
86Q97.3Very high95.9Very high111 Ų11189.3 Ų89.352%0.51945%0.453SS..Hα-helixtrans-62.1-53.3176.8179.3179.9-1300110.9A82 D83 R88 E89 E90A82-Q86 PolarHBondContact O-N 2.87Å; D83-Q86 WeakPolarHBondContact O-CA 3.21Å; D83-Q86 WeakPolarHBondContact O-CB 3.28Å; D83-Q86 PolarHBondContact O-N 3.1Å; Q86-R88 PolarHBondContact O-N 2.84Å; Q86-R88 VanDerWaalsContact O-N 3.17Å; Q86-E89 PolarHBondContact O-N 3.19Å; Q86-E90 HydrophobicContact CG-CG 4.42Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.48Å; Q86-E90 PolarHBondContact NE2-OE1 3.15Å; Q86-E90 WeakPolarHBondContact O-CG 3.29Å; Q86-E90 PolarHBondContact O-N 3.43Å
87Q96.8Very high95.9Very high76 Ų7687.7 Ų87.736%0.35544%0.444SS..Hα-helixtrans-52.8-40.8177.1-67.7-177.428.800111.7L68 D83 E89 E90 I91L68-Q87 HydrophobicContact CD1-CB 4.06Å; L68-Q87 HydrophobicContact CD2-CB 4.31Å; D83-Q87 WeakPolarHBondContact O-CG 3.15Å; D83-Q87 PolarHBondContact O-N 3.41Å; D83-Q87 PolarHBondContact OD2-NE2 2.81Å; Q87-E89 PolarHBondContact O-N 3.31Å; Q87-E90 PolarHBondContact O-N 2.81Å; Q87-I91 WeakPolarHBondContact O-CG1 3.38Å; Q87-I91 PolarHBondContact O-N 3.35Å
88R96.2Very high96Very high60 Ų6082.2 Ų82.223%0.22642%0.419CS..Hα-helixtrans-65.4-35.2178.5176.8179.3164.6-79.7-11.1113.7R65 L68 L84 I85 Q86R65-R88 HydrophobicContact CB-CG 4.24Å; R65-R88 HydrophobicContact CG-CG 4.29Å; R65-R88 PolarHBondContact NE-O 2.83Å; R65-R88 WeakPolarHBondContact O-CD 3.37Å; R65-R88 PolarHBondContact O-NE 2.87Å; L68-R88 HydrophobicContact CB-CB 3.91Å; L68-R88 HydrophobicContact CB-CG 4.43Å; L68-R88 HydrophobicContact CD1-CB 4.05Å; L84-R88 WeakPolarHBondContact O-CB 3.21Å; L84-R88 PolarHBondContact O-N 3.29Å; L84-R88 VanDerWaalsContact O-N 3.14Å; I85-R88 PolarHBondContact O-N 3.36Å; Q86-R88 PolarHBondContact O-N 2.84Å; Q86-R88 VanDerWaalsContact O-N 3.17Å
89E95.8Very high96.2Very high79 Ų7983.5 Ų83.537%0.36941%0.413SS..Hα-helixtrans-80.1-30176.6-69.2-58.7123.100111.7R65 I85 Q86 Q87 I91 K92R65-E89 IonicContact NH2-OE1 3.8Å; I85-E89 PolarHBondContact O-N 3.13Å; I85-E89 VanDerWaalsContact O-N 3.16Å; Q86-E89 PolarHBondContact O-N 3.19Å; Q87-E89 PolarHBondContact O-N 3.31Å; E89-I91 VanDerWaalsContact C-N 3.31Å; E89-I91 PolarHBondContact O-N 3.2Å; E89-K92 VanDerWaalsContact O-CB 3.28Å; E89-K92 WeakPolarHBondContact O-CB 3.29Å; E89-K92 PolarHBondContact O-N 2.89Å; E89-K92 VanDerWaalsContact O-N 3.11Å; E89-K92 WeakPolarHBondContact OE2-CD 3.46Å; E89-K92 IonicContact OE2-NZ 2.65Å; E89-K92 PolarHBondContact OE2-NZ 3.11Å
90E94.9Very high96.2Very high121 Ų12178 Ų7857%0.56538%0.384SS*.Hα-helixtrans-61.3-38.4174-72.9175.6-179.900112.4Q86 Q87 K92Q86-E90 HydrophobicContact CG-CG 4.42Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.48Å; Q86-E90 PolarHBondContact NE2-OE1 3.15Å; Q86-E90 WeakPolarHBondContact O-CG 3.29Å; Q86-E90 PolarHBondContact O-N 3.43Å; Q87-E90 PolarHBondContact O-N 2.81Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.03Å
91I94.6Very high96.2Very high27 Ų2775.8 Ų75.814%0.13838%0.38CS..THydrogen-bonded Turntrans-88.88177.266.7171.6000113.5L61 M64 R65 L68 Q87 E89 I93L61-I91 HydrophobicContact CD2-CB 4.42Å; M64-I91 HydrophobicContact CB-CD1 3.8Å; R65-I91 HydrophobicContact CB-CD1 4.44Å; R65-I91 HydrophobicContact CG-CD1 3.43Å; R65-I91 VanDerWaalsContact CG-CD1 3.43Å; R65-I91 HydrophobicContact CG-CG1 3.41Å; R65-I91 VanDerWaalsContact CG-CG1 3.41Å; L68-I91 HydrophobicContact CD1-CD1 3.71Å; L68-I91 HydrophobicContact CD1-CG1 4.46Å; Q87-I91 WeakPolarHBondContact O-CG1 3.38Å; Q87-I91 PolarHBondContact O-N 3.35Å; E89-I91 VanDerWaalsContact C-N 3.31Å; E89-I91 PolarHBondContact O-N 3.2Å; I91-I93 VanDerWaalsContact C-N 3.35Å; I91-I93 PolarHBondContact O-N 2.68Å
92K94.8Very high96.2Very high119 Ų11977.3 Ų77.352%0.51739%0.393SS..  trans-81.283.4174.2-176.7-173.7178.7-173.10109.9E89 E90E89-K92 VanDerWaalsContact O-CB 3.28Å; E89-K92 WeakPolarHBondContact O-CB 3.29Å; E89-K92 PolarHBondContact O-N 2.89Å; E89-K92 VanDerWaalsContact O-N 3.11Å; E89-K92 WeakPolarHBondContact OE2-CD 3.46Å; E89-K92 IonicContact OE2-NZ 2.65Å; E89-K92 PolarHBondContact OE2-NZ 3.11Å; E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 3.03Å
93I94.6Very high96.2Very high49 Ų4979.7 Ų79.725%0.25139%0.394SS..  trans-114.9150.2-179.764.4-167.8000112.1L61 I91 L97 Y99L61-I93 HydrophobicContact CD1-CD1 3.52Å; L61-I93 HydrophobicContact CD1-CG1 3.89Å; I91-I93 VanDerWaalsContact C-N 3.35Å; I91-I93 PolarHBondContact O-N 2.68Å; I93-L97 HydrophobicContact CB-CB 4.37Å; I93-L97 WeakPolarHBondContact CD1-O 3.14Å; I93-Y99 HydrophobicContact CD1-CD1 3.53Å; I93-Y99 HydrophobicContact CD1-CE1 3.43Å; I93-Y99 VanDerWaalsContact CD1-CE1 3.43Å
94P96.1Very high96.2Very high81 Ų8177 Ų7753%0.52638%0.38SS..  trans-57.1157.6172.8-24.533.9000112.8D96 L97 S98P94-D96 VanDerWaalsContact C-N 3.31Å; P94-D96 PolarHBondContact O-N 3.48Å; P94-L97 HydrophobicContact CG-CD1 4.29Å; P94-L97 CarbonylContact O-C 3.56Å; P94-L97 PolarHBondContact O-N 3.11Å; P94-S98 PolarHBondContact O-N 3.02Å; P94-S98 VanDerWaalsContact O-N 3.16Å; P94-S98 PolarHBondContact O-OG 2.98Å
95Y96.7Very high96.2Very high85 Ų8579.5 Ų79.533%0.33339%0.393SS..G310 helixtrans-48.1-51.9176.9-179.4-97.7000112.2Q54 E55 Y58 L97 S98Q54-Y95 HydrophobicContact CG-CD1 4.22Å; Q54-Y95 HydrophobicContact CG-CE1 3.54Å; Q54-Y95 HydrophobicContact CG-CE2 4.34Å; Q54-Y95 PolarHBondContact NE2-O 2.65Å; E55-Y95 WeakPolarHBondContact OE2-CE2 3.32Å; E55-Y95 PolarHBondContact OE2-OH 2.78Å; Y58-Y95 AromaticContact CD1-CD2 3.89Å; Y58-Y95 HydrophobicContact CD1-CD2 3.89Å; Y58-Y95 HydrophobicContact CD1-CE2 4.21Å; Y58-Y95 AromaticContact CD2-CD2 3.83Å; Y58-Y95 HydrophobicContact CD2-CD2 3.83Å; Y58-Y95 HydrophobicContact CE2-CD2 4.46Å; Y58-Y95 AromaticContact CG-CD2 3.5Å; Y58-Y95 HydrophobicContact CG-CD2 3.5Å; Y58-Y95 VanDerWaalsContact CG-CD2 3.5Å; Y58-Y95 HydrophobicContact CG-CE2 4.02Å; Y95-L97 PolarHBondContact O-N 3.13Å; Y95-L97 VanDerWaalsContact O-N 3.12Å; Y95-S98 VanDerWaalsContact O-CB 3.24Å; Y95-S98 WeakPolarHBondContact O-CB 3.34Å; Y95-S98 PolarHBondContact O-N 3.36Å; Y95-S98 PolarHBondContact O-OG 3.07Å; Y95-S98 VanDerWaalsContact O-OG 3.1Å
96D95.4Very high96.2Very high133 Ų13381.3 Ų81.371%0.71140%0.399SS*.G310 helixtrans-65.4-16.4-177.4-63.3-23.5000114.4P94P94-D96 VanDerWaalsContact C-N 3.31Å; P94-D96 PolarHBondContact O-N 3.48Å
97L96Very high96.2Very high118 Ų11877.8 Ų77.862%0.61838%0.384SS*.G310 helixtrans-104.81.8177.6-61.2-176.4000112.5I93 P94 Y95I93-L97 HydrophobicContact CB-CB 4.37Å; I93-L97 WeakPolarHBondContact CD1-O 3.14Å; P94-L97 HydrophobicContact CG-CD1 4.29Å; P94-L97 CarbonylContact O-C 3.56Å; P94-L97 PolarHBondContact O-N 3.11Å; Y95-L97 PolarHBondContact O-N 3.13Å; Y95-L97 VanDerWaalsContact O-N 3.12Å
98S97.1Very high96.2Very high10 Ų1076.8 Ų76.87%0.0738%0.377CS..  trans-65141.9176.1-580000110.7Q54 P94 Y95Q54-S98 PolarHBondContact NE2-O 2.91Å; P94-S98 PolarHBondContact O-N 3.02Å; P94-S98 VanDerWaalsContact O-N 3.16Å; P94-S98 PolarHBondContact O-OG 2.98Å; Y95-S98 VanDerWaalsContact O-CB 3.24Å; Y95-S98 WeakPolarHBondContact O-CB 3.34Å; Y95-S98 PolarHBondContact O-N 3.36Å; Y95-S98 PolarHBondContact O-OG 3.07Å; Y95-S98 VanDerWaalsContact O-OG 3.1Å
99Y96.8Very high96.3Very high121 Ų12175.3 Ų75.348%0.47537%0.374SS..  trans-130.9157.3-177.360.2-93.7000112.4A57 L61 I93A57-Y99 WeakPolarHBondContact CB-O 3.3Å; L61-Y99 HydrophobicContact CD1-CD1 4.22Å; L61-Y99 HydrophobicContact CD1-CE1 4.22Å; L61-Y99 HydrophobicContact CD2-CE1 4.39Å; L61-Y99 HydrophobicContact CD2-CE2 4.32Å; I93-Y99 HydrophobicContact CD1-CD1 3.53Å; I93-Y99 HydrophobicContact CD1-CE1 3.43Å; I93-Y99 VanDerWaalsContact CD1-CE1 3.43Å
100V96.6Very high96.4Very high22 Ų2274 Ų7413%0.13337%0.374CS..  trans-100.2150172.2-71.80000110.6I56 A57 D104 L105 Y108I56-V100 HydrophobicContact CG2-CG1 4.38Å; A57-V100 HydrophobicContact CB-CG1 3.88Å; V100-D104 HydrophobicContact CB-CB 3.66Å; V100-D104 HydrophobicContact CG1-CB 3.74Å; V100-L105 HydrophobicContact CG2-CB 4.28Å; V100-L105 HydrophobicContact CG2-CD1 4.25Å; V100-Y108 HydrophobicContact CG2-CD1 4.37Å; V100-Y108 HydrophobicContact CG2-CG 4.38Å
101S95.8Very high96.5Very high55 Ų5568.2 Ų68.239%0.38535%0.347SS..  trans-131.7169.3174.269.20000111.3Q103 D104 L105S101-Q103 PolarHBondContact O-N 2.85Å; S101-D104 PolarHBondContact O-N 3.06Å; S101-L105 PolarHBondContact O-N 3.36Å
102D95.8Very high96.6Very high128 Ų12868.1 Ų68.168%0.68435%0.346SS*.Hα-helixtrans50.5-125.3170.8-47.9-65.7000112.4D104 L105 E106D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.16Å; D102-L105 WeakPolarHBondContact O-CB 3.19Å; D102-L105 PolarHBondContact O-N 3.2Å; D102-L105 VanDerWaalsContact O-N 3.12Å; D102-E106 PolarHBondContact O-N 3.11Å
103Q97.2Very high96.7Very high108 Ų10866.9 Ų66.951%0.50534%0.342SS..Hα-helixtrans-60.6-32.5-178-170.260.679.900113.5S101 E106 N107S101-Q103 PolarHBondContact O-N 2.85Å; Q103-E106 PolarHBondContact NE2-OE2 3.15Å; Q103-E106 PolarHBondContact O-N 2.99Å; Q103-N107 WeakPolarHBondContact O-CB 3.17Å; Q103-N107 PolarHBondContact O-N 3.23Å; Q103-N107 PolarHBondContact O-ND2 2.83Å; Q103-N107 VanDerWaalsContact O-ND2 3.13Å
104D97.4Very high96.8Very high20 Ų2066.8 Ų66.811%0.10734%0.341CS..Hα-helixtrans-74.6-34.3178.2-60.5-32.3000111.6I56 K60 V100 S101 D102 E106 N107 Y108I56-D104 HydrophobicContact CG2-CB 4.45Å; K60-D104 WeakPolarHBondContact CD-OD2 3.25Å; K60-D104 WeakPolarHBondContact CE-OD2 3.45Å; K60-D104 IonicContact NZ-OD1 2.87Å; K60-D104 PolarHBondContact NZ-OD1 3.45Å; K60-D104 IonicContact NZ-OD2 2.57Å; K60-D104 PolarHBondContact NZ-OD2 3.17Å; V100-D104 HydrophobicContact CB-CB 3.66Å; V100-D104 HydrophobicContact CG1-CB 3.74Å; S101-D104 PolarHBondContact O-N 3.06Å; D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.16Å; D104-E106 VanDerWaalsContact C-N 3.33Å; D104-N107 PolarHBondContact O-N 2.92Å; D104-Y108 WeakPolarHBondContact O-CB 3.43Å; D104-Y108 PolarHBondContact O-N 2.91Å
105L97.1Very high96.8Very high66 Ų6663 Ų6335%0.34632%0.317SS..Hα-helixtrans-62.6-45172.6176.662.2000109.9V100 S101 D102 N107 Y108 L109V100-L105 HydrophobicContact CG2-CB 4.28Å; V100-L105 HydrophobicContact CG2-CD1 4.25Å; S101-L105 PolarHBondContact O-N 3.36Å; D102-L105 WeakPolarHBondContact O-CB 3.19Å; D102-L105 PolarHBondContact O-N 3.2Å; D102-L105 VanDerWaalsContact O-N 3.12Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 3.49Å; L105-Y108 HydrophobicContact CD1-CD1 4.4Å; L105-Y108 PolarHBondContact O-N 2.99Å; L105-L109 HydrophobicContact CD1-CD1 3.96Å; L105-L109 HydrophobicContact CD1-CD2 4.4Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 3.91Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.13Å; L105-L109 PolarHBondContact O-N 2.8Å
106E96.9Very high96.8Very high118 Ų11861 Ų6155%0.55131%0.311SS*.Hα-helixtrans-58.4-44.2174.1-68179.2-178.100112.1D102 Q103 D104 L109 S110D102-E106 PolarHBondContact O-N 3.11Å; Q103-E106 PolarHBondContact NE2-OE2 3.15Å; Q103-E106 PolarHBondContact O-N 2.99Å; D104-E106 VanDerWaalsContact C-N 3.33Å; E106-L109 PolarHBondContact O-N 3Å; E106-S110 VanDerWaalsContact O-CB 3.29Å; E106-S110 WeakPolarHBondContact O-CB 3.21Å; E106-S110 PolarHBondContact O-N 3.47Å
107N97.7Very high96.8Very high37 Ų3759.3 Ų59.320%0.19830%0.298CS..Hα-helixtrans-62.1-44.6176.7-71.6-29.9000111.7Q3 Q103 D104 L105 S110 D111Q3-N107 HydrophobicContact CG-CB 4.11Å; Q3-N107 PolarHBondContact NE2-OD1 3.24Å; Q103-N107 WeakPolarHBondContact O-CB 3.17Å; Q103-N107 PolarHBondContact O-N 3.23Å; Q103-N107 PolarHBondContact O-ND2 2.83Å; Q103-N107 VanDerWaalsContact O-ND2 3.13Å; D104-N107 PolarHBondContact O-N 2.92Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 3.49Å; N107-S110 PolarHBondContact O-N 3.44Å; N107-D111 PolarHBondContact O-N 3.44Å
108Y97.7Very high96.9Very high55 Ų5555.1 Ų55.122%0.21628%0.275CS..Hα-helixtrans-61.1-48.9177.3171.9-118.5000111.8H53 V100 D104 L105 S110 D111 M112 I151H53-Y108 HydrophobicContact CB-CD2 3.59Å; H53-Y108 HydrophobicContact CB-CE2 4.29Å; H53-Y108 HydrophobicContact CB-CG 4.25Å; H53-Y108 AromaticContact CD2-CD2 3.66Å; H53-Y108 VanDerWaalsContact CE1-CA 3.41Å; H53-Y108 WeakPolarHBondContact CE1-CA 3.34Å; H53-Y108 PolarHBondContact CE1-N 3.49Å; H53-Y108 VanDerWaalsContact CE1-N 3.35Å; H53-Y108 AromaticContact CG-CD2 3.55Å; V100-Y108 HydrophobicContact CG2-CD1 4.37Å; V100-Y108 HydrophobicContact CG2-CG 4.38Å; D104-Y108 WeakPolarHBondContact O-CB 3.43Å; D104-Y108 PolarHBondContact O-N 2.91Å; L105-Y108 HydrophobicContact CD1-CD1 4.4Å; L105-Y108 PolarHBondContact O-N 2.99Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 3.01Å; Y108-D111 PolarHBondContact O-N 2.94Å; Y108-M112 HydrophobicContact CD2-CG 3.84Å; Y108-M112 HydrophobicContact CE1-CG 4.13Å; Y108-M112 HydrophobicContact CE2-CG 3.36Å; Y108-M112 HydrophobicContact CE2-SD 3.79Å; Y108-M112 HydrophobicContact CG-CG 4.41Å; Y108-M112 WeakPolarHBondContact O-CB 3.22Å; Y108-M112 VanDerWaalsContact O-CG 3.28Å; Y108-M112 WeakPolarHBondContact O-CG 3.43Å; Y108-M112 PolarHBondContact O-N 3.46Å; Y108-I151 HydrophobicContact CE1-CD1 3.77Å
109L97.2Very high96.9Very high29 Ų2955.1 Ų55.115%0.15228%0.275CS..Hα-helixtrans-64.7-38.6-179.5-65.7172.7000111.8L105 E106 M112 Q113 I151 L153 M156L105-L109 HydrophobicContact CD1-CD1 3.96Å; L105-L109 HydrophobicContact CD1-CD2 4.4Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 3.91Å; L105-L109 HydrophobicContact CG-CG 4.36Å; L105-L109 WeakPolarHBondContact O-CB 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.13Å; L105-L109 PolarHBondContact O-N 2.8Å; E106-L109 PolarHBondContact O-N 3Å; L109-M112 PolarHBondContact O-N 3.12Å; L109-Q113 PolarHBondContact O-N 2.81Å; L109-I151 HydrophobicContact CD2-CD1 4.12Å; L109-I151 HydrophobicContact CD2-CG2 4.23Å; L109-L153 HydrophobicContact CB-CD2 3.92Å; L109-L153 HydrophobicContact CD2-CD2 3.69Å; L109-L153 HydrophobicContact CG-CD2 4.28Å; L109-M156 HydrophobicContact CD1-CE 3.66Å; L109-M156 HydrophobicContact CD1-SD 4.38Å; L109-M156 HydrophobicContact CD2-CE 4.38Å
110S97.3Very high96.9Very high52 Ų5251.2 Ų51.236%0.36426%0.264SS..Hα-helixtrans-61.3-46.9174-176.60000111.9E106 N107 Y108 M112 Q113 I114E106-S110 VanDerWaalsContact O-CB 3.29Å; E106-S110 WeakPolarHBondContact O-CB 3.21Å; E106-S110 PolarHBondContact O-N 3.47Å; N107-S110 PolarHBondContact O-N 3.44Å; Y108-S110 VanDerWaalsContact C-N 3.33Å; Y108-S110 PolarHBondContact O-N 3.01Å; S110-M112 PolarHBondContact O-N 3.42Å; S110-Q113 WeakPolarHBondContact O-CB 2.95Å; S110-Q113 PolarHBondContact O-N 2.77Å; S110-I114 PolarHBondContact O-N 2.84Å
111D97.8Very high96.9Very high0 Ų055.6 Ų55.60%028%0.281CS..Hα-helixtrans-65.2-41.1176.9-75.3-6.7000111.8I2 Q3 A4 I49 H53 N107 Y108 Q113 I114 A115I2-D111 WeakPolarHBondContact CA-OD1 3.5Å; I2-D111 HydrophobicContact CG2-CB 4.46Å; Q3-D111 PolarHBondContact N-OD1 3.06Å; Q3-D111 PolarHBondContact N-OD2 3.38Å; A4-D111 PolarHBondContact N-OD2 3.05Å; I49-D111 HydrophobicContact CD1-CB 4.19Å; I49-D111 HydrophobicContact CG1-CB 4.23Å; I49-D111 HydrophobicContact CG2-CB 3.63Å; H53-D111 IonicContact CD2-OD2 3.93Å; H53-D111 IonicContact CE1-OD2 3.82Å; H53-D111 IonicContact NE2-OD2 2.77Å; H53-D111 PolarHBondContact NE2-OD2 3.01Å; N107-D111 PolarHBondContact O-N 3.44Å; Y108-D111 PolarHBondContact O-N 2.94Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 2.94Å; D111-I114 PolarHBondContact O-N 2.68Å; D111-I114 VanDerWaalsContact O-N 3.16Å; D111-A115 PolarHBondContact O-N 2.65Å
112M96.8Very high96.9Very high24 Ų2453 Ų5312%0.11826%0.263CS..Hα-helixtrans-62.7-37.1176.2-76.2-59.7-59.700112.5I49 Y108 L109 S110 I114 A115 Q116 I151I49-M112 HydrophobicContact CG2-SD 4.08Å; Y108-M112 HydrophobicContact CD2-CG 3.84Å; Y108-M112 HydrophobicContact CE1-CG 4.13Å; Y108-M112 HydrophobicContact CE2-CG 3.36Å; Y108-M112 HydrophobicContact CE2-SD 3.79Å; Y108-M112 HydrophobicContact CG-CG 4.41Å; Y108-M112 WeakPolarHBondContact O-CB 3.22Å; Y108-M112 VanDerWaalsContact O-CG 3.28Å; Y108-M112 WeakPolarHBondContact O-CG 3.43Å; Y108-M112 PolarHBondContact O-N 3.46Å; L109-M112 PolarHBondContact O-N 3.12Å; S110-M112 PolarHBondContact O-N 3.42Å; M112-I114 VanDerWaalsContact C-N 3.3Å; M112-I114 PolarHBondContact O-N 2.94Å; M112-A115 PolarHBondContact O-N 2.88Å; M112-Q116 WeakPolarHBondContact O-CB 3.36Å; M112-Q116 WeakPolarHBondContact O-CG 3.3Å; M112-Q116 PolarHBondContact O-N 2.79Å; M112-I151 HydrophobicContact CB-CD1 4.23Å; M112-I151 HydrophobicContact CE-CD1 4.19Å; M112-I151 HydrophobicContact CE-CG1 4.44Å; M112-I151 HydrophobicContact CG-CD1 4.01Å
113Q96.6Very high97Very high93 Ų9348 Ų4844%0.43524%0.235SC..Hα-helixtrans-57.6-45.6173.2-170.4175.9-17.800111L109 S110 D111 Q116 Q117 L153L109-Q113 PolarHBondContact O-N 2.81Å; S110-Q113 WeakPolarHBondContact O-CB 2.95Å; S110-Q113 PolarHBondContact O-N 2.77Å; D111-Q113 VanDerWaalsContact C-N 3.32Å; D111-Q113 PolarHBondContact O-N 2.94Å; Q113-Q116 PolarHBondContact O-N 3.3Å; Q113-Q117 WeakPolarHBondContact O-CG 3.3Å; Q113-Q117 PolarHBondContact O-N 2.85Å; Q113-L153 HydrophobicContact CB-CD1 3.51Å; Q113-L153 HydrophobicContact CG-CD1 3.73Å
114I96.3Very high97Very high47 Ų4747.1 Ų47.124%0.24123%0.231CC..Hα-helixtrans-67.7-42.1179.3-60.6168.1000110.5I2 S110 D111 M112 Q116 Q117 Y118I2-I114 HydrophobicContact CD1-CB 4.4Å; I2-I114 HydrophobicContact CD1-CG2 3.69Å; I2-I114 HydrophobicContact CG1-CB 4.13Å; I2-I114 HydrophobicContact CG1-CD1 3.58Å; I2-I114 HydrophobicContact CG1-CG1 4.46Å; I2-I114 HydrophobicContact CG1-CG2 3.81Å; S110-I114 PolarHBondContact O-N 2.84Å; D111-I114 PolarHBondContact O-N 2.68Å; D111-I114 VanDerWaalsContact O-N 3.16Å; M112-I114 VanDerWaalsContact C-N 3.3Å; M112-I114 PolarHBondContact O-N 2.94Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3.48Å; I114-Q117 PolarHBondContact O-N 2.71Å; I114-Y118 WeakPolarHBondContact O-CB 3.19Å; I114-Y118 PolarHBondContact O-N 3.22Å
115A96.7Very high97Very high2 Ų247.7 Ų47.72%0.01724%0.236CC..Hα-helixtrans-60.7-40176.200000112.2S42 I49 D111 M112 Y118 A119S42-A115 WeakPolarHBondContact CB-O 3.46Å; I49-A115 HydrophobicContact CD1-CB 3.83Å; D111-A115 PolarHBondContact O-N 2.65Å; M112-A115 PolarHBondContact O-N 2.88Å; A115-Y118 PolarHBondContact O-N 3.36Å; A115-A119 PolarHBondContact O-N 3.29Å
116Q97Very high97Very high44 Ų4445 Ų4521%0.20622%0.222CC..Hα-helixtrans-65.8-45.3176.2-77.8172.9-162.200111.7M112 Q113 I114 Y118 A119 V120 I151M112-Q116 WeakPolarHBondContact O-CB 3.36Å; M112-Q116 WeakPolarHBondContact O-CG 3.3Å; M112-Q116 PolarHBondContact O-N 2.79Å; Q113-Q116 PolarHBondContact O-N 3.3Å; I114-Q116 VanDerWaalsContact C-N 3.31Å; I114-Q116 PolarHBondContact O-N 3.48Å; Q116-Y118 VanDerWaalsContact C-N 3.34Å; Q116-Y118 PolarHBondContact O-N 2.84Å; Q116-A119 WeakPolarHBondContact O-CB 3.46Å; Q116-A119 PolarHBondContact O-N 3.48Å; Q116-A119 VanDerWaalsContact O-N 3.14Å; Q116-V120 WeakPolarHBondContact O-CG2 3.44Å; Q116-V120 PolarHBondContact O-N 3.15Å; Q116-V120 VanDerWaalsContact O-N 3.09Å; Q116-I151 PolarHBondContact NE2-O 3.37Å; Q116-I151 PolarHBondContact OE1-O 3.14Å
117Q96.1Very high97.1Very high96 Ų9640.5 Ų40.545%0.44921%0.205SC..Hα-helixtrans-60.8-43.7174.2-72.4177.10.900111.7Q113 I114 A119 V120 F121Q113-Q117 WeakPolarHBondContact O-CG 3.3Å; Q113-Q117 PolarHBondContact O-N 2.85Å; I114-Q117 PolarHBondContact O-N 2.71Å; Q117-A119 VanDerWaalsContact C-N 3.27Å; Q117-A119 PolarHBondContact O-N 2.96Å; Q117-V120 WeakPolarHBondContact O-CB 3.21Å; Q117-V120 PolarHBondContact O-N 3.46Å; Q117-V120 VanDerWaalsContact O-N 3.15Å; Q117-F121 HydrophobicContact CB-CE2 4.37Å; Q117-F121 WeakPolarHBondContact O-CD2 3.46Å; Q117-F121 PolarHBondContact O-N 3.41Å
118Y96.5Very high97.1Very high31 Ų3144.5 Ų44.512%0.12222%0.222CC..Hα-helixtrans-58.2-40.3174.1177-81.3000111.7A11 S14 L15 S42 R43 L45 I114 A115 Q116 V120 F121 N122A11-Y118 WeakPolarHBondContact O-CE2 3.24Å; A11-Y118 PolarHBondContact O-OH 2.92Å; S14-Y118 VanDerWaalsContact CB-OH 3.29Å; S14-Y118 WeakPolarHBondContact CB-OH 3.49Å; L15-Y118 WeakPolarHBondContact CA-OH 3.23Å; L15-Y118 HydrophobicContact CB-CE2 4.34Å; L15-Y118 HydrophobicContact CD1-CD2 4.38Å; L15-Y118 HydrophobicContact CD1-CE2 3.95Å; L15-Y118 PolarHBondContact N-OH 3.15Å; S42-Y118 WeakPolarHBondContact O-CE1 3.43Å; R43-Y118 HydrophobicContact CG-CE1 4.44Å; L45-Y118 HydrophobicContact CD2-CD1 3.87Å; L45-Y118 HydrophobicContact CD2-CD2 3.65Å; L45-Y118 HydrophobicContact CD2-CE2 4.29Å; L45-Y118 HydrophobicContact CD2-CG 3.41Å; L45-Y118 VanDerWaalsContact CD2-CG 3.41Å; I114-Y118 WeakPolarHBondContact O-CB 3.19Å; I114-Y118 PolarHBondContact O-N 3.22Å; A115-Y118 PolarHBondContact O-N 3.36Å; Q116-Y118 VanDerWaalsContact C-N 3.34Å; Q116-Y118 PolarHBondContact O-N 2.84Å; Y118-V120 VanDerWaalsContact C-N 3.35Å; Y118-V120 PolarHBondContact O-N 3.13Å; Y118-F121 PolarHBondContact O-N 3.26Å; Y118-N122 HydrophobicContact CE1-CB 4.38Å; Y118-N122 VanDerWaalsContact O-CB 3.29Å; Y118-N122 WeakPolarHBondContact O-CB 3.14Å; Y118-N122 PolarHBondContact O-N 3.15Å
119A96.8Very high97.1Very high9 Ų946.5 Ų46.57%0.07424%0.241CC..Hα-helixtrans-63.5-39.7176.700000112.3A115 Q116 Q117 N122 R123A115-A119 PolarHBondContact O-N 3.29Å; Q116-A119 WeakPolarHBondContact O-CB 3.46Å; Q116-A119 PolarHBondContact O-N 3.48Å; Q116-A119 VanDerWaalsContact O-N 3.14Å; Q117-A119 VanDerWaalsContact C-N 3.27Å; Q117-A119 PolarHBondContact O-N 2.96Å; A119-N122 PolarHBondContact O-N 3.38Å; A119-R123 PolarHBondContact O-N 2.79Å; A119-R123 VanDerWaalsContact O-N 3.13Å; A119-R123 PolarHBondContact O-NH1 3.23Å
120V97.1Very high97.1Very high40 Ų4046.9 Ų46.924%0.24224%0.242CC..Hα-helixtrans-60.6-52.7173.4177.80000110Q116 Q117 Y118 N122 R123 Q124Q116-V120 WeakPolarHBondContact O-CG2 3.44Å; Q116-V120 PolarHBondContact O-N 3.15Å; Q116-V120 VanDerWaalsContact O-N 3.09Å; Q117-V120 WeakPolarHBondContact O-CB 3.21Å; Q117-V120 PolarHBondContact O-N 3.46Å; Q117-V120 VanDerWaalsContact O-N 3.15Å; Y118-V120 VanDerWaalsContact C-N 3.35Å; Y118-V120 PolarHBondContact O-N 3.13Å; V120-N122 VanDerWaalsContact C-N 3.27Å; V120-N122 PolarHBondContact O-N 2.85Å; V120-R123 PolarHBondContact O-N 3.43Å; V120-R123 VanDerWaalsContact O-N 3.15Å; V120-Q124 HydrophobicContact CG1-CG 4.36Å; V120-Q124 WeakPolarHBondContact O-CG 3.37Å; V120-Q124 PolarHBondContact O-N 3.04Å
121F96.5Very high97.1Very high113 Ų11346 Ų4650%0.49623%0.233SC..Hα-helixtrans-60.5-37.2178.5-70.2-54.1000112.3L15 Q117 Y118 R123 Q124 S125L15-F121 HydrophobicContact CD1-CB 4.29Å; Q117-F121 HydrophobicContact CB-CE2 4.37Å; Q117-F121 WeakPolarHBondContact O-CD2 3.46Å; Q117-F121 PolarHBondContact O-N 3.41Å; Y118-F121 PolarHBondContact O-N 3.26Å; F121-R123 PolarHBondContact O-N 2.65Å; F121-Q124 PolarHBondContact O-N 3.46Å; F121-S125 WeakPolarHBondContact O-CB 3.08Å; F121-S125 PolarHBondContact O-N 2.95Å; F121-S125 PolarHBondContact O-OG 3.32Å
122N97.1Very high97.1Very high0 Ų052.8 Ų52.80%026%0.263CS..Hα-helixtrans-58.9-47.8175.5-174.634.6000111.6S14 L15 G16 T17 S40 G41 Y118 A119 V120 S125 M126S14-N122 PolarHBondContact O-OD1 3.11Å; L15-N122 HydrophobicContact CD1-CB 4.14Å; G16-N122 VanDerWaalsContact CA-OD1 3.32Å; G16-N122 WeakPolarHBondContact CA-OD1 3.35Å; G16-N122 PolarHBondContact N-OD1 3.48Å; T17-N122 PolarHBondContact N-OD1 3Å; T17-N122 VanDerWaalsContact N-OD1 3.11Å; T17-N122 PolarHBondContact O-ND2 3.03Å; T17-N122 VanDerWaalsContact O-ND2 3.12Å; T17-N122 PolarHBondContact O-OD1 3.13Å; S40-N122 PolarHBondContact OG-ND2 2.72Å; G41-N122 PolarHBondContact O-ND2 3.47Å; G41-N122 VanDerWaalsContact O-ND2 3.15Å; Y118-N122 HydrophobicContact CE1-CB 4.38Å; Y118-N122 VanDerWaalsContact O-CB 3.29Å; Y118-N122 WeakPolarHBondContact O-CB 3.14Å; Y118-N122 PolarHBondContact O-N 3.15Å; A119-N122 PolarHBondContact O-N 3.38Å; V120-N122 VanDerWaalsContact C-N 3.27Å; V120-N122 PolarHBondContact O-N 2.85Å; N122-S125 PolarHBondContact O-N 3.3Å; N122-M126 WeakPolarHBondContact O-CE 3.17Å; N122-M126 PolarHBondContact O-N 3.11Å; N122-M126 VanDerWaalsContact O-N 3.11Å
123R97.8Very high97.2Very high25 Ų2555.4 Ų55.49%0.09429%0.288CS..Hα-helixtrans-64.5-42.8176.2-69.7-173.3-65.1-80.2-1.8112I38 S40 A119 V120 F121 M126 A127 D145I38-R123 HydrophobicContact CG2-CB 4.46Å; I38-R123 HydrophobicContact CG2-CG 4.23Å; S40-R123 PolarHBondContact O-NH1 3.16Å; A119-R123 PolarHBondContact O-N 2.79Å; A119-R123 VanDerWaalsContact O-N 3.13Å; A119-R123 PolarHBondContact O-NH1 3.23Å; V120-R123 PolarHBondContact O-N 3.43Å; V120-R123 VanDerWaalsContact O-N 3.15Å; F121-R123 PolarHBondContact O-N 2.65Å; R123-M126 HydrophobicContact CG-CE 4.49Å; R123-M126 PolarHBondContact O-N 2.79Å; R123-A127 WeakPolarHBondContact O-CB 3.4Å; R123-A127 PolarHBondContact O-N 3.11Å; R123-D145 IonicContact CZ-OD1 3.77Å; R123-D145 IonicContact CZ-OD2 3.83Å; R123-D145 IonicContact NE-OD1 3.02Å; R123-D145 PolarHBondContact NE-OD1 2.95Å; R123-D145 IonicContact NH2-OD1 3.23Å; R123-D145 PolarHBondContact NH2-OD1 3.35Å; R123-D145 IonicContact NH2-OD2 2.79Å; R123-D145 PolarHBondContact NH2-OD2 3.31Å
124Q97.1Very high97.2Very high89 Ų8955.6 Ų55.642%0.41629%0.29SS..Hα-helixtrans-63-43177-72177-18.300112.3V120 F121 A127 Q128V120-Q124 HydrophobicContact CG1-CG 4.36Å; V120-Q124 WeakPolarHBondContact O-CG 3.37Å; V120-Q124 PolarHBondContact O-N 3.04Å; F121-Q124 PolarHBondContact O-N 3.46Å; Q124-A127 WeakPolarHBondContact O-CB 3.4Å; Q124-A127 PolarHBondContact O-N 3.26Å; Q124-Q128 WeakPolarHBondContact O-CB 3.3Å; Q124-Q128 VanDerWaalsContact O-CG 3.32Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 2.88Å
125S97.2Very high97.3Very high32 Ų3261.4 Ų61.422%0.22431%0.314CS..Hα-helixtrans-61.7-44.9176.5-63.60000111.3F121 N122 A127 Q128 T129F121-S125 WeakPolarHBondContact O-CB 3.08Å; F121-S125 PolarHBondContact O-N 2.95Å; F121-S125 PolarHBondContact O-OG 3.32Å; N122-S125 PolarHBondContact O-N 3.3Å; S125-A127 PolarHBondContact O-N 3.5Å; S125-Q128 PolarHBondContact O-N 2.9Å; S125-T129 WeakPolarHBondContact O-CB 3.32Å; S125-T129 PolarHBondContact O-N 3.3Å; S125-T129 PolarHBondContact O-OG1 2.95Å
126M97.8Very high97.3Very high8 Ų865.7 Ų65.74%0.03933%0.329CS..Hα-helixtrans-59.9-46173.5-76.3-177.2-83.200112G16 T17 L18 I25 I38 N122 R123 T129 I130G16-M126 VanDerWaalsContact C-CG 3.45Å; G16-M126 WeakPolarHBondContact O-CG 3.15Å; T17-M126 VanDerWaalsContact C-SD 3.51Å; T17-M126 WeakPolarHBondContact O-CE 3.46Å; L18-M126 HydrophobicContact CB-SD 4.13Å; L18-M126 HydrophobicContact CD1-SD 4.23Å; I25-M126 HydrophobicContact CD1-SD 4.38Å; I38-M126 HydrophobicContact CD1-CB 3.87Å; I38-M126 HydrophobicContact CG2-CB 4.35Å; I38-M126 HydrophobicContact CG2-CE 3.84Å; I38-M126 HydrophobicContact CG2-SD 4.1Å; N122-M126 WeakPolarHBondContact O-CE 3.17Å; N122-M126 PolarHBondContact O-N 3.11Å; N122-M126 VanDerWaalsContact O-N 3.11Å; R123-M126 HydrophobicContact CG-CE 4.49Å; R123-M126 PolarHBondContact O-N 2.79Å; M126-T129 PolarHBondContact O-N 3.07Å; M126-I130 WeakPolarHBondContact O-CG1 3.32Å; M126-I130 PolarHBondContact O-N 3.2Å
127A97.8Very high97.2Very high24 Ų2468.9 Ų68.920%0.19834%0.344CS..Hα-helixtrans-58.3-50.7178.100000111I38 R123 Q124 S125 T129 I130 L131I38-A127 HydrophobicContact CD1-CB 3.75Å; R123-A127 WeakPolarHBondContact O-CB 3.4Å; R123-A127 PolarHBondContact O-N 3.11Å; Q124-A127 WeakPolarHBondContact O-CB 3.4Å; Q124-A127 PolarHBondContact O-N 3.26Å; S125-A127 PolarHBondContact O-N 3.5Å; A127-T129 PolarHBondContact O-N 2.83Å; A127-I130 PolarHBondContact O-N 3.14Å; A127-L131 HydrophobicContact CB-CD1 4.5Å; A127-L131 WeakPolarHBondContact O-CB 3.45Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 3.08Å
128Q97.2Very high97.2Very high122 Ų12274.1 Ų74.157%0.5737%0.365SS*.Hα-helixtrans-60.5-43.6179.1-73.7175.4-7.600112.3Q124 S125 I130 L131 K132Q124-Q128 WeakPolarHBondContact O-CB 3.3Å; Q124-Q128 VanDerWaalsContact O-CG 3.32Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 2.88Å; S125-Q128 PolarHBondContact O-N 2.9Å; Q128-I130 VanDerWaalsContact C-N 3.32Å; Q128-I130 PolarHBondContact O-N 3.16Å; Q128-L131 PolarHBondContact O-N 3.08Å; Q128-K132 WeakPolarHBondContact O-CB 3.43Å; Q128-K132 PolarHBondContact O-N 3.31Å
129T97.8Very high97.1Very high97 Ų9778.3 Ų78.360%0.59539%0.386SS*.Hα-helixtrans-57.8-46.1176.2-62.40000111.5S125 M126 A127 A133S125-T129 WeakPolarHBondContact O-CB 3.32Å; S125-T129 PolarHBondContact O-N 3.3Å; S125-T129 PolarHBondContact O-OG1 2.95Å; M126-T129 PolarHBondContact O-N 3.07Å; A127-T129 PolarHBondContact O-N 2.83Å; T129-A133 VanDerWaalsContact O-CB 3.29Å; T129-A133 WeakPolarHBondContact O-CB 3.29Å; T129-A133 PolarHBondContact O-N 2.8Å
130I97.7Very high97.1Very high37 Ų3781.1 Ų81.119%0.1940%0.402CS..Hα-helixtrans-67.9-50.8179.8-68164.8000110.8I25 L36 I38 M126 A127 Q128 K132 A133 M134I25-I130 HydrophobicContact CD1-CD1 3.92Å; I25-I130 HydrophobicContact CG2-CD1 3.72Å; L36-I130 HydrophobicContact CD1-CD1 4.37Å; L36-I130 HydrophobicContact CD1-CG2 4.29Å; L36-I130 HydrophobicContact CD2-CB 4.2Å; L36-I130 HydrophobicContact CD2-CG2 3.92Å; I38-I130 HydrophobicContact CD1-CD1 4.31Å; M126-I130 WeakPolarHBondContact O-CG1 3.32Å; M126-I130 PolarHBondContact O-N 3.2Å; A127-I130 PolarHBondContact O-N 3.14Å; Q128-I130 VanDerWaalsContact C-N 3.32Å; Q128-I130 PolarHBondContact O-N 3.16Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 2.6Å; I130-A133 PolarHBondContact O-N 2.66Å; I130-M134 HydrophobicContact CG2-CG 4.17Å; I130-M134 WeakPolarHBondContact O-CB 3.39Å; I130-M134 VanDerWaalsContact O-CG 3.28Å; I130-M134 WeakPolarHBondContact O-CG 3.34Å; I130-M134 PolarHBondContact O-N 3.25Å
131L98Very high97Very high32 Ų3286.2 Ų86.217%0.16843%0.427CS..Hα-helixtrans-57.6-42.3-178.2-70.2168.8000111.3L36 A127 Q128 K135 W136 E137 V140L36-L131 HydrophobicContact CD2-CD2 4.23Å; L36-L131 HydrophobicContact CD2-CG 4.18Å; A127-L131 HydrophobicContact CB-CD1 4.5Å; A127-L131 WeakPolarHBondContact O-CB 3.45Å; A127-L131 WeakPolarHBondContact O-CG 3.49Å; A127-L131 PolarHBondContact O-N 3.08Å; Q128-L131 PolarHBondContact O-N 3.08Å; L131-K135 PolarHBondContact O-N 2.94Å; L131-W136 HydrophobicContact CD2-CB 3.78Å; L131-W136 HydrophobicContact CD2-CE3 4.45Å; L131-W136 PolarHBondContact O-N 3.34Å; L131-E137 HydrophobicContact CB-CG 3.92Å; L131-V140 HydrophobicContact CD1-CG2 3.78Å; L131-V140 HydrophobicContact CD2-CG2 3.73Å; L131-V140 HydrophobicContact CG-CG2 4.37Å
132K97.9Very high96.9Very high144 Ų14486.5 Ų86.563%0.62643%0.43SS*.Hα-helixtrans-66.3-48176.5-174.4174.9-178.6176.70112.3Q128 I130 M134 K135 E137Q128-K132 WeakPolarHBondContact O-CB 3.43Å; Q128-K132 PolarHBondContact O-N 3.31Å; I130-K132 VanDerWaalsContact C-N 3.27Å; I130-K132 PolarHBondContact O-N 2.6Å; K132-M134 VanDerWaalsContact C-N 3.26Å; K132-M134 PolarHBondContact O-N 3.46Å; K132-K135 PolarHBondContact O-N 2.57Å; K132-K135 VanDerWaalsContact O-N 3.15Å; K132-E137 HydrophobicContact CB-CG 4.32Å
133A97.9Very high96.9Very high78 Ų7891.5 Ų91.565%0.64546%0.464SS*.Hα-helixtrans-61.4-37.2179.900000112.2T129 I130T129-A133 VanDerWaalsContact O-CB 3.29Å; T129-A133 WeakPolarHBondContact O-CB 3.29Å; T129-A133 PolarHBondContact O-N 2.8Å; I130-A133 PolarHBondContact O-N 2.66Å
134M97.1Very high96.8Very high97 Ų9794 Ų9448%0.47848%0.476SS..THydrogen-bonded Turntrans-85.9-4.8179.3-60.9-57.8-69.600113.8I130 K132 W136I130-M134 HydrophobicContact CG2-CG 4.17Å; I130-M134 WeakPolarHBondContact O-CB 3.39Å; I130-M134 VanDerWaalsContact O-CG 3.28Å; I130-M134 WeakPolarHBondContact O-CG 3.34Å; I130-M134 PolarHBondContact O-N 3.25Å; K132-M134 VanDerWaalsContact C-N 3.26Å; K132-M134 PolarHBondContact O-N 3.46Å; M134-W136 VanDerWaalsContact C-N 3.26Å; M134-W136 HydrophobicContact CB-CB 4.44Å; M134-W136 HydrophobicContact CB-CD2 3.39Å; M134-W136 HydrophobicContact CB-CE3 3.74Å; M134-W136 HydrophobicContact CB-CG 3.71Å; M134-W136 HydrophobicContact CB-CH2 4.3Å; M134-W136 HydrophobicContact CB-CZ2 4.01Å; M134-W136 HydrophobicContact CB-CZ3 4.18Å; M134-W136 HydrophobicContact CE-CH2 3.7Å; M134-W136 HydrophobicContact CE-CZ2 3.39Å; M134-W136 HydrophobicContact CG-CD2 4.16Å; M134-W136 HydrophobicContact CG-CE3 4.06Å; M134-W136 HydrophobicContact CG-CH2 4.09Å; M134-W136 HydrophobicContact CG-CZ2 4.19Å; M134-W136 HydrophobicContact CG-CZ3 4.02Å; M134-W136 PolarHBondContact O-N 2.98Å; M134-W136 PolarHBondContact O-NE1 2.82Å
135K97.8Very high96.7Very high170 Ų17093 Ų9374%0.73947%0.473SS*.THydrogen-bonded Turntrans57.138.8-173.8-52.4177.1-178.9177.20112.7L131 K132 Q139L131-K135 PolarHBondContact O-N 2.94Å; K132-K135 PolarHBondContact O-N 2.57Å; K132-K135 VanDerWaalsContact O-N 3.15Å; K135-Q139 PolarHBondContact O-NE2 3.15Å; K135-Q139 VanDerWaalsContact O-NE2 3.1Å; K135-Q139 PolarHBondContact O-OE1 3.48Å; K135-Q139 VanDerWaalsContact O-OE1 3.11Å
136W97.3Very high96.5Very high92 Ų9292.6 Ų92.635%0.34847%0.471SS..  trans-100.5-3.1179.7-65.4-13.9000114V27 L131 M134 K138 Q139 V140V27-W136 HydrophobicContact CG2-CH2 4.19Å; V27-W136 HydrophobicContact CG2-CZ3 4.13Å; L131-W136 HydrophobicContact CD2-CB 3.78Å; L131-W136 HydrophobicContact CD2-CE3 4.45Å; L131-W136 PolarHBondContact O-N 3.34Å; M134-W136 VanDerWaalsContact C-N 3.26Å; M134-W136 HydrophobicContact CB-CB 4.44Å; M134-W136 HydrophobicContact CB-CD2 3.39Å; M134-W136 HydrophobicContact CB-CE3 3.74Å; M134-W136 HydrophobicContact CB-CG 3.71Å; M134-W136 HydrophobicContact CB-CH2 4.3Å; M134-W136 HydrophobicContact CB-CZ2 4.01Å; M134-W136 HydrophobicContact CB-CZ3 4.18Å; M134-W136 HydrophobicContact CE-CH2 3.7Å; M134-W136 HydrophobicContact CE-CZ2 3.39Å; M134-W136 HydrophobicContact CG-CD2 4.16Å; M134-W136 HydrophobicContact CG-CE3 4.06Å; M134-W136 HydrophobicContact CG-CH2 4.09Å; M134-W136 HydrophobicContact CG-CZ2 4.19Å; M134-W136 HydrophobicContact CG-CZ3 4.02Å; M134-W136 PolarHBondContact O-N 2.98Å; M134-W136 PolarHBondContact O-NE1 2.82Å; W136-K138 PolarHBondContact O-N 2.77Å; W136-K138 VanDerWaalsContact O-N 3.15Å; W136-Q139 PolarHBondContact O-N 3.09Å; W136-Q139 PolarHBondContact O-OE1 3.42Å; W136-V140 PolarHBondContact O-N 3.48Å
137E95.6Very high96.2Very high110 Ų11094.2 Ų94.251%0.51448%0.482SS..G310 helixtrans-54.8-35.3-175.9-65.7173.7118.100113.4L131 K132 Q139L131-E137 HydrophobicContact CB-CG 3.92Å; K132-E137 HydrophobicContact CB-CG 4.32Å; E137-Q139 VanDerWaalsContact C-N 3.33Å
138K95.8Very high95.7Very high206 Ų20694.7 Ų94.790%0.89648%0.48SS*.G310 helixtrans-83.5-9.6-178.4-63.9-173.6179.5-176.60113.5W136W136-K138 PolarHBondContact O-N 2.77Å; W136-K138 VanDerWaalsContact O-N 3.15Å
139Q94.9Very high95.3Very high119 Ų11992.4 Ų92.456%0.55647%0.472SS*.G310 helixtrans-101.5-3.9-175.9-61.887.2-24.800111.9K135 W136 E137 I141K135-Q139 PolarHBondContact O-NE2 3.15Å; K135-Q139 VanDerWaalsContact O-NE2 3.1Å; K135-Q139 PolarHBondContact O-OE1 3.48Å; K135-Q139 VanDerWaalsContact O-OE1 3.11Å; W136-Q139 PolarHBondContact O-N 3.09Å; W136-Q139 PolarHBondContact O-OE1 3.42Å; E137-Q139 VanDerWaalsContact C-N 3.33Å; Q139-I141 PolarHBondContact O-N 3.14Å
140V96.1Very high95.1Very high69 Ų6988.9 Ų88.942%0.41845%0.448SS..  trans-68.9112.2175.6-178.30000109.3L131 W136L131-V140 HydrophobicContact CD1-CG2 3.78Å; L131-V140 HydrophobicContact CD2-CG2 3.73Å; L131-V140 HydrophobicContact CG-CG2 4.37Å; W136-V140 PolarHBondContact O-N 3.48Å
141I94.8Very high95Very high146 Ų14687.6 Ų87.675%0.74944%0.441SS*.  trans-90-31.4177.458.7176.2000112.6Q139Q139-I141 PolarHBondContact O-N 3.14Å
142E95.1Very high94.9Very high120 Ų12087 Ų8756%0.56144%0.438SS*.  trans-156.7155.7-178.8-162.2-174168.400110.4K170E142-K170 IonicContact OE1-NZ 3.29Å; E142-K170 PolarHBondContact OE1-NZ 3.46Å; E142-K170 IonicContact OE2-NZ 2.81Å; E142-K170 PolarHBondContact OE2-NZ 3.23Å
143S95.4Very high94.7Very high104 Ų10482.6 Ų82.673%0.72742%0.421SS*.  trans-147.5150.9167.267.10000110.1
144F95.7Very high94.5Very high78 Ų7887.1 Ų87.134%0.34243%0.426SS..  trans-146.6160.5170.971.4-79.5000109.8K170 I172 I183F144-K170 HydrophobicContact CD1-CD 3.78Å; F144-K170 HydrophobicContact CD2-CB 4.32Å; F144-K170 HydrophobicContact CD2-CD 4.39Å; F144-K170 HydrophobicContact CD2-CG 4.46Å; F144-K170 HydrophobicContact CE1-CD 3.99Å; F144-K170 HydrophobicContact CE1-CG 4.49Å; F144-K170 HydrophobicContact CE2-CG 4.38Å; F144-K170 HydrophobicContact CG-CD 3.99Å; F144-K170 HydrophobicContact CZ-CD 4.37Å; F144-K170 HydrophobicContact CZ-CG 4.39Å; F144-I172 HydrophobicContact CE2-CB 4.13Å; F144-I172 HydrophobicContact CE2-CG2 3.94Å; F144-I172 HydrophobicContact CZ-CB 3.95Å; F144-I172 HydrophobicContact CZ-CG2 4.17Å; F144-I183 HydrophobicContact CE1-CD1 4.48Å; F144-I183 HydrophobicContact CZ-CD1 4.09Å
145D95.1Very high94.3Very high67 Ų6786 Ų8636%0.35842%0.42SS..  trans-118.1133.2177.4-17364.9000109.8R123R123-D145 IonicContact CZ-OD1 3.77Å; R123-D145 IonicContact CZ-OD2 3.83Å; R123-D145 IonicContact NE-OD1 3.02Å; R123-D145 PolarHBondContact NE-OD1 2.95Å; R123-D145 IonicContact NH2-OD1 3.23Å; R123-D145 PolarHBondContact NH2-OD1 3.35Å; R123-D145 IonicContact NH2-OD2 2.79Å; R123-D145 PolarHBondContact NH2-OD2 3.31Å
146S93.7Very high94.2Very high25 Ų2583.4 Ų83.418%0.17541%0.412CS..  trans-124.194.5175.5-170.90000108
147P91.9Very high94.1Very high42 Ų4281 Ų8127%0.27341%0.405SS..  trans-70.1150.317930.3-34.8000110.3Y150P147-Y150 HydrophobicContact CB-CD1 4.03Å; P147-Y150 HydrophobicContact CB-CE1 4.39Å; P147-Y150 HydrophobicContact CB-CG 4.11Å; P147-Y150 HydrophobicContact CG-CD1 4.1Å; P147-Y150 HydrophobicContact CG-CD2 4.27Å; P147-Y150 HydrophobicContact CG-CE1 3.98Å; P147-Y150 HydrophobicContact CG-CE2 4.17Å; P147-Y150 HydrophobicContact CG-CG 4.25Å; P147-Y150 WeakPolarHBondContact O-CD1 3.29Å; P147-Y150 WeakPolarHBondContact O-CE1 3.3Å
148H86.1Confident94.1Very high34 Ų3481.6 Ų81.616%0.15741%0.411CS..  trans-133.2152.9176.370.543.5000111.5R39 D163 H198R39-H148 PolarHBondContact NE-NE2 2.98Å; R39-H148 VanDerWaalsContact NE-NE2 3.2Å; H148-D163 WeakPolarHBondContact CA-OD1 3.33Å; H148-D163 WeakPolarHBondContact CB-OD1 3.35Å; H148-H198 HydrophobicContact CB-CB 3.7Å; H148-H198 AromaticContact CG-CD2 3.91Å
149N88.7Confident94Very high74 Ų7472 Ų7240%0.39637%0.369SS..SBendtrans55.158.9-176.9-60-59.6000111.4R159 K160 G161 H198N149-R159 CarbonylContact C-O 3.55Å; N149-R159 WeakPolarHBondContact CA-O 3.46Å; N149-R159 PolarHBondContact N-O 3.27Å; N149-K160 WeakPolarHBondContact OD1-CA 2.77Å; N149-G161 PolarHBondContact OD1-N 2.71Å; N149-H198 PolarHBondContact ND2-CD2 3.09Å
150Y94.8Very high93.9Very high22 Ų2274.9 Ų74.99%0.08638%0.38CS..EExtended strand (participates in β ladder)trans-140.5170-170.179.2-78.1000111.5P147 D152 R159 S164P147-Y150 HydrophobicContact CB-CD1 4.03Å; P147-Y150 HydrophobicContact CB-CE1 4.39Å; P147-Y150 HydrophobicContact CB-CG 4.11Å; P147-Y150 HydrophobicContact CG-CD1 4.1Å; P147-Y150 HydrophobicContact CG-CD2 4.27Å; P147-Y150 HydrophobicContact CG-CE1 3.98Å; P147-Y150 HydrophobicContact CG-CE2 4.17Å; P147-Y150 HydrophobicContact CG-CG 4.25Å; P147-Y150 WeakPolarHBondContact O-CD1 3.29Å; P147-Y150 WeakPolarHBondContact O-CE1 3.3Å; Y150-D152 HydrophobicContact CE2-CB 4.13Å; Y150-R159 HydrophobicContact CD1-CB 4.33Å; Y150-R159 HydrophobicContact CE1-CB 4.18Å; Y150-R159 HydrophobicContact CE1-CG 4.37Å; Y150-R159 PolarHBondContact N-O 3.34Å; Y150-R159 PolarHBondContact O-N 2.57Å; Y150-S164 VanDerWaalsContact OH-CB 3.23Å; Y150-S164 WeakPolarHBondContact OH-CB 3.21Å
151I96Very high93.7Very high11 Ų1173.1 Ų73.16%0.05638%0.376CS..EExtended strand (participates in β ladder)trans-106.2119.9174.2-54.7174.6000108.6Y108 L109 M112 Q116 L153 L158Y108-I151 HydrophobicContact CE1-CD1 3.77Å; L109-I151 HydrophobicContact CD2-CD1 4.12Å; L109-I151 HydrophobicContact CD2-CG2 4.23Å; M112-I151 HydrophobicContact CB-CD1 4.23Å; M112-I151 HydrophobicContact CE-CD1 4.19Å; M112-I151 HydrophobicContact CE-CG1 4.44Å; M112-I151 HydrophobicContact CG-CD1 4.01Å; Q116-I151 PolarHBondContact NE2-O 3.37Å; Q116-I151 PolarHBondContact OE1-O 3.14Å; I151-L153 HydrophobicContact CB-CD2 4.41Å; I151-L153 HydrophobicContact CG2-CD2 3.82Å; I151-L153 HydrophobicContact CG2-CG 4.38Å; I151-L153 PolarHBondContact O-N 3.08Å; I151-L153 VanDerWaalsContact O-N 3.14Å; I151-L158 HydrophobicContact CD1-CD1 4.48Å; I151-L158 HydrophobicContact CG1-CD1 3.72Å
152D95.3Very high93.7Very high20 Ų2067.2 Ų67.211%0.10735%0.349CS..EExtended strand (participates in β ladder)trans-75.593.5165.2-179.6-12.9000108.1Y150 K154 H155 M156 I157 R166Y150-D152 HydrophobicContact CE2-CB 4.13Å; D152-K154 PolarHBondContact O-N 3.45Å; D152-K154 WeakPolarHBondContact OD1-CB 3.44Å; D152-K154 PolarHBondContact OD1-N 3.46Å; D152-K154 VanDerWaalsContact OD1-N 3.12Å; D152-H155 VanDerWaalsContact CG-ND1 3.26Å; D152-H155 PolarHBondContact O-N 2.97Å; D152-H155 IonicContact OD1-CG 3.99Å; D152-H155 PolarHBondContact OD1-N 3.45Å; D152-H155 VanDerWaalsContact OD1-N 3.15Å; D152-H155 IonicContact OD1-ND1 3.19Å; D152-H155 PolarHBondContact OD1-ND1 2.81Å; D152-H155 IonicContact OD2-CE1 2.85Å; D152-H155 IonicContact OD2-CG 3.43Å; D152-H155 IonicContact OD2-ND1 2.71Å; D152-H155 PolarHBondContact OD2-ND1 3.37Å; D152-M156 VanDerWaalsContact O-CA 3.26Å; D152-M156 WeakPolarHBondContact O-CA 3.35Å; D152-M156 PolarHBondContact O-N 2.93Å; D152-I157 HydrophobicContact CB-CB 4.31Å; D152-I157 PolarHBondContact N-O 3.34Å; D152-I157 PolarHBondContact O-N 3.43Å; D152-I157 VanDerWaalsContact O-N 3.1Å; D152-R166 IonicContact OD2-NH2 2.68Å; D152-R166 PolarHBondContact OD2-NH2 3.35Å
153L93.8Very high93.6Very high50 Ų5061.7 Ų61.726%0.26232%0.324SS..THydrogen-bonded Turntrans-67.5-20.2-178.1-65171.4000113.3L109 Q113 I151L109-L153 HydrophobicContact CB-CD2 3.92Å; L109-L153 HydrophobicContact CD2-CD2 3.69Å; L109-L153 HydrophobicContact CG-CD2 4.28Å; Q113-L153 HydrophobicContact CB-CD1 3.51Å; Q113-L153 HydrophobicContact CG-CD1 3.73Å; I151-L153 HydrophobicContact CB-CD2 4.41Å; I151-L153 HydrophobicContact CG2-CD2 3.82Å; I151-L153 HydrophobicContact CG2-CG 4.38Å; I151-L153 PolarHBondContact O-N 3.08Å; I151-L153 VanDerWaalsContact O-N 3.14Å
154K93.1Very high93.6Very high173 Ų17357.1 Ų57.175%0.75229%0.291SS*.THydrogen-bonded Turntrans-75.5-37.9179177.7177171.6-177.60111.2D152D152-K154 PolarHBondContact O-N 3.45Å; D152-K154 WeakPolarHBondContact OD1-CB 3.44Å; D152-K154 PolarHBondContact OD1-N 3.46Å; D152-K154 VanDerWaalsContact OD1-N 3.12Å
155H93.9Very high93.7Very high75 Ų7553.4 Ų53.435%0.34728%0.275SS..THydrogen-bonded Turntrans-110.61.9-176.7-50.594.2000113D152 I157 R166D152-H155 VanDerWaalsContact CG-ND1 3.26Å; D152-H155 PolarHBondContact O-N 2.97Å; D152-H155 IonicContact OD1-CG 3.99Å; D152-H155 PolarHBondContact OD1-N 3.45Å; D152-H155 VanDerWaalsContact OD1-N 3.15Å; D152-H155 IonicContact OD1-ND1 3.19Å; D152-H155 PolarHBondContact OD1-ND1 2.81Å; D152-H155 IonicContact OD2-CE1 2.85Å; D152-H155 IonicContact OD2-CG 3.43Å; D152-H155 IonicContact OD2-ND1 2.71Å; D152-H155 PolarHBondContact OD2-ND1 3.37Å; H155-I157 HydrophobicContact CB-CD1 4.07Å; H155-I157 HydrophobicContact CB-CG1 4.23Å; H155-I157 PolarHBondContact O-N 2.91Å; H155-R166 PolarHBondContact CD2-NH2 3.42Å; H155-R166 VanDerWaalsContact CD2-NH2 3.29Å; H155-R166 PolarHBondContact CE1-NH2 3.49Å; H155-R166 PolarHBondContact ND1-NH2 2.96Å; H155-R166 PolarHBondContact NE2-NH2 3.03Å
156M95.3Very high93.8Very high114 Ų11452.9 Ų52.956%0.56227%0.268SS*.THydrogen-bonded Turntrans55.946.7-178.6-65.4-58.2-64.600113.3L109 D152L109-M156 HydrophobicContact CD1-CE 3.66Å; L109-M156 HydrophobicContact CD1-SD 4.38Å; L109-M156 HydrophobicContact CD2-CE 4.38Å; D152-M156 VanDerWaalsContact O-CA 3.26Å; D152-M156 WeakPolarHBondContact O-CA 3.35Å; D152-M156 PolarHBondContact O-N 2.93Å
157I95.5Very high93.9Very high41 Ų4159.2 Ų59.221%0.2129%0.292CS..EExtended strand (participates in β ladder)trans-114.8120.1179.6-59.2172.8000110.2D152 H155 R159 N193D152-I157 HydrophobicContact CB-CB 4.31Å; D152-I157 PolarHBondContact N-O 3.34Å; D152-I157 PolarHBondContact O-N 3.43Å; D152-I157 VanDerWaalsContact O-N 3.1Å; H155-I157 HydrophobicContact CB-CD1 4.07Å; H155-I157 HydrophobicContact CB-CG1 4.23Å; H155-I157 PolarHBondContact O-N 2.91Å; I157-R159 HydrophobicContact CG2-CG 3.93Å; I157-N193 HydrophobicContact CD1-CB 4.48Å
158L94.8Very high94.2Very high124 Ų12463.2 Ų63.265%0.64931%0.312SS*.EExtended strand (participates in β ladder)trans-80123.1166.417465.6000109.7I151I151-L158 HydrophobicContact CD1-CD1 4.48Å; I151-L158 HydrophobicContact CG1-CD1 3.72Å
159R95Very high94.7Very high4 Ų465 Ų652%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-113.5107.9177.1-57.2-172.6-180-75.90.4110N149 Y150 I157 A162 N193 Q194 S195N149-R159 CarbonylContact C-O 3.55Å; N149-R159 WeakPolarHBondContact CA-O 3.46Å; N149-R159 PolarHBondContact N-O 3.27Å; Y150-R159 HydrophobicContact CD1-CB 4.33Å; Y150-R159 HydrophobicContact CE1-CB 4.18Å; Y150-R159 HydrophobicContact CE1-CG 4.37Å; Y150-R159 PolarHBondContact N-O 3.34Å; Y150-R159 PolarHBondContact O-N 2.57Å; I157-R159 HydrophobicContact CG2-CG 3.93Å; R159-A162 VanDerWaalsContact CB-O 3.3Å; R159-A162 WeakPolarHBondContact CB-O 3.24Å; R159-N193 PolarHBondContact NH2-O 3.04Å; R159-N193 VanDerWaalsContact NH2-O 3.15Å; R159-Q194 PolarHBondContact NH2-O 3.49Å; R159-S195 PolarHBondContact NH1-OG 3.32Å
160K92.7Very high95.1Very high179 Ų17964.8 Ų64.878%0.77832%0.316SS*.SBendtrans-116.7120173.3-174.7-178.6178.8-170.70109.4N149 A162N149-K160 WeakPolarHBondContact OD1-CA 2.77Å; K160-A162 PolarHBondContact O-N 2.87Å
161G91.2Very high95.1Very high33 Ų3363.8 Ų63.834%0.3431%0.312SS..SBendtrans751.3-171.700000114.9N149 H198N149-G161 PolarHBondContact OD1-N 2.71Å; G161-H198 PolarHBondContact O-N 2.95Å; G161-H198 PolarHBondContact O-ND1 2.78Å
162A94.1Very high95.2Very high22 Ų2264.3 Ų64.318%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-131.6158.5-178.900000110.6R159 K160 G196R159-A162 VanDerWaalsContact CB-O 3.3Å; R159-A162 WeakPolarHBondContact CB-O 3.24Å; K160-A162 PolarHBondContact O-N 2.87Å; A162-G196 CarbonylContact C-O 3.47Å; A162-G196 WeakPolarHBondContact CA-O 3.28Å; A162-G196 WeakPolarHBondContact CB-O 3.36Å
163D94Very high95.2Very high4 Ų463.4 Ų63.42%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-123.1165.7174.2-65.8-12.8000109.2H148 M171 S195 G196 H198H148-D163 WeakPolarHBondContact CA-OD1 3.33Å; H148-D163 WeakPolarHBondContact CB-OD1 3.35Å; D163-M171 HydrophobicContact CB-CE 4.34Å; D163-S195 WeakPolarHBondContact O-CA 3.37Å; D163-G196 PolarHBondContact N-O 3.4Å; D163-G196 PolarHBondContact O-N 3.04Å; D163-H198 VanDerWaalsContact CG-CB 3.41Å; D163-H198 WeakPolarHBondContact OD1-CB 3.39Å; D163-H198 VanDerWaalsContact OD2-CA 3.25Å; D163-H198 WeakPolarHBondContact OD2-CA 3.43Å; D163-H198 WeakPolarHBondContact OD2-CB 3.39Å
164S96Very high95.4Very high7 Ų761.5 Ų61.55%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-67.9132.2171.2-173.70000110Y150 R166 E169 M171Y150-S164 VanDerWaalsContact OH-CB 3.23Å; Y150-S164 WeakPolarHBondContact OH-CB 3.21Å; S164-R166 WeakPolarHBondContact OG-CG 3.49Å; S164-E169 VanDerWaalsContact C-OE2 3.31Å; S164-E169 WeakPolarHBondContact CB-OE1 3.13Å; S164-E169 VanDerWaalsContact CB-OE2 3.22Å; S164-E169 WeakPolarHBondContact CB-OE2 3.37Å; S164-E169 PolarHBondContact OG-OE1 3.41Å; S164-E169 PolarHBondContact OG-OE2 2.93Å; S164-M171 WeakPolarHBondContact O-CE 3.44Å
165A96.4Very high95.5Very high0 Ų053.6 Ų53.60%027%0.266CS..  trans-128.644.1178.600000110.1M171 G186 G188 Q194A165-M171 VanDerWaalsContact CA-SD 3.54Å; A165-M171 HydrophobicContact CB-CE 3.67Å; A165-M171 HydrophobicContact CB-SD 3.4Å; A165-M171 WeakPolarHBondContact CB-SD 3.22Å; A165-G186 WeakPolarHBondContact O-CA 3.4Å; A165-G188 WeakPolarHBondContact O-CA 3.44Å; A165-G188 PolarHBondContact O-N 3.23Å; A165-Q194 CarbonylContact C-O 3.38Å; A165-Q194 WeakPolarHBondContact CA-O 3.36Å; A165-Q194 PolarHBondContact N-O 3.21Å
166R96.8Very high95.5Very high57 Ų5750.5 Ų50.522%0.21525%0.252CS..  trans-64.8158.3178.6-61.7-173178.6-86.8-4.6110.1D152 H155 S164 N168 E169 G186 Q194D152-R166 IonicContact OD2-NH2 2.68Å; D152-R166 PolarHBondContact OD2-NH2 3.35Å; H155-R166 PolarHBondContact CD2-NH2 3.42Å; H155-R166 VanDerWaalsContact CD2-NH2 3.29Å; H155-R166 PolarHBondContact CE1-NH2 3.49Å; H155-R166 PolarHBondContact ND1-NH2 2.96Å; H155-R166 PolarHBondContact NE2-NH2 3.03Å; S164-R166 WeakPolarHBondContact OG-CG 3.49Å; R166-N168 PolarHBondContact O-N 3.12Å; R166-N168 VanDerWaalsContact O-N 3.16Å; R166-E169 HydrophobicContact CB-CB 4.21Å; R166-E169 WeakPolarHBondContact CB-OE2 3.4Å; R166-E169 PolarHBondContact N-OE2 3Å; R166-E169 WeakPolarHBondContact O-CB 3.23Å; R166-E169 PolarHBondContact O-N 2.71Å; R166-G186 CarbonylContact O-C 3.58Å; R166-G186 VanDerWaalsContact O-C 3.3Å; R166-G186 VanDerWaalsContact O-CA 3.24Å; R166-G186 WeakPolarHBondContact O-CA 3.44Å; R166-Q194 HydrophobicContact CG-CB 4.06Å; R166-Q194 VanDerWaalsContact CG-OE1 3.29Å
167K97.5Very high95.5Very high157 Ų15745.3 Ų45.368%0.68323%0.226SC*.THydrogen-bonded Turntrans-54.9124-177.4-170.4173.8-177.1174.80110.6E169 G186K167-E169 PolarHBondContact O-N 3.15Å; K167-G186 CarbonylContact C-O 3.56Å; K167-G186 WeakPolarHBondContact CA-O 3.43Å
168N97.4Very high95.5Very high126 Ų12647.7 Ų47.767%0.67424%0.235SC*.THydrogen-bonded Turntrans66.68.7-178.5-52.3-37000115.7R166 G186R166-N168 PolarHBondContact O-N 3.12Å; R166-N168 VanDerWaalsContact O-N 3.16Å; N168-G186 PolarHBondContact N-O 3.35Å
169E96.2Very high95.6Very high71 Ų7143.2 Ų43.233%0.33221%0.212SC..  trans-71.8130.5174.9-176.2172.1-159.100110.1S164 R166 K167 V185 G186S164-E169 VanDerWaalsContact C-OE2 3.31Å; S164-E169 WeakPolarHBondContact CB-OE1 3.13Å; S164-E169 VanDerWaalsContact CB-OE2 3.22Å; S164-E169 WeakPolarHBondContact CB-OE2 3.37Å; S164-E169 PolarHBondContact OG-OE1 3.41Å; S164-E169 PolarHBondContact OG-OE2 2.93Å; R166-E169 HydrophobicContact CB-CB 4.21Å; R166-E169 WeakPolarHBondContact CB-OE2 3.4Å; R166-E169 PolarHBondContact N-OE2 3Å; R166-E169 WeakPolarHBondContact O-CB 3.23Å; R166-E169 PolarHBondContact O-N 2.71Å; K167-E169 PolarHBondContact O-N 3.15Å; E169-V185 CarbonylContact O-C 3.3Å; E169-V185 WeakPolarHBondContact O-CA 3.43Å; E169-G186 PolarHBondContact O-N 3.4Å
170K96.7Very high95.7Very high71 Ų7143.1 Ų43.131%0.30921%0.212SC..EExtended strand (participates in β ladder)trans-71.7131.7179.1-149.4178.1-158.2-178.30109.9E142 F144E142-K170 IonicContact OE1-NZ 3.29Å; E142-K170 PolarHBondContact OE1-NZ 3.46Å; E142-K170 IonicContact OE2-NZ 2.81Å; E142-K170 PolarHBondContact OE2-NZ 3.23Å; F144-K170 HydrophobicContact CD1-CD 3.78Å; F144-K170 HydrophobicContact CD2-CB 4.32Å; F144-K170 HydrophobicContact CD2-CD 4.39Å; F144-K170 HydrophobicContact CD2-CG 4.46Å; F144-K170 HydrophobicContact CE1-CD 3.99Å; F144-K170 HydrophobicContact CE1-CG 4.49Å; F144-K170 HydrophobicContact CE2-CG 4.38Å; F144-K170 HydrophobicContact CG-CD 3.99Å; F144-K170 HydrophobicContact CZ-CD 4.37Å; F144-K170 HydrophobicContact CZ-CG 4.39Å
171M95.9Very high95.9Very high0 Ų034.6 Ų34.60%018%0.175CC..EExtended strand (participates in β ladder)trans-128.5151-175-62.8-173.874.100111.6D163 S164 A165 G184 M256D163-M171 HydrophobicContact CB-CE 4.34Å; S164-M171 WeakPolarHBondContact O-CE 3.44Å; A165-M171 VanDerWaalsContact CA-SD 3.54Å; A165-M171 HydrophobicContact CB-CE 3.67Å; A165-M171 HydrophobicContact CB-SD 3.4Å; A165-M171 WeakPolarHBondContact CB-SD 3.22Å; M171-G184 PolarHBondContact N-O 3.39Å; M171-G184 PolarHBondContact O-N 3.3Å; M171-G184 VanDerWaalsContact O-N 3.07Å; M171-M256 HydrophobicContact CB-CE 4.08Å; M171-M256 HydrophobicContact SD-CB 3.91Å; M171-M256 HydrophobicContact SD-SD 4.39Å
172I96.9Very high96.2Very high23 Ų2333 Ų3312%0.11816%0.159CC..EExtended strand (participates in β ladder)trans-129.5129.7167.7-176.9168.1000110.3V37 F144 I182 I183V37-I172 HydrophobicContact CB-CD1 4.43Å; V37-I172 HydrophobicContact CG1-CD1 3.63Å; V37-I172 HydrophobicContact CG2-CD1 3.86Å; F144-I172 HydrophobicContact CE2-CB 4.13Å; F144-I172 HydrophobicContact CE2-CG2 3.94Å; F144-I172 HydrophobicContact CZ-CB 3.95Å; F144-I172 HydrophobicContact CZ-CG2 4.17Å; I172-I182 CarbonylContact C-O 3.51Å; I172-I182 VanDerWaalsContact CA-O 3.3Å; I172-I182 WeakPolarHBondContact CA-O 3.32Å; I172-I183 HydrophobicContact CB-CD1 3.97Å; I172-I183 HydrophobicContact CD1-CD1 3.79Å; I172-I183 HydrophobicContact CG1-CD1 3.79Å
173V96.8Very high96.4Very high0 Ų032.6 Ų32.60%015%0.153CC..EExtended strand (participates in β ladder)trans-120.198.7178.2-176.10000108.9L175 I182 P197 I248 L252 M256V173-L175 PolarHBondContact O-N 2.95Å; V173-I182 HydrophobicContact CB-CB 4.31Å; V173-I182 PolarHBondContact N-O 3.01Å; V173-I182 PolarHBondContact O-N 2.89Å; V173-P197 HydrophobicContact CG1-CG 4.41Å; V173-P197 WeakPolarHBondContact CG2-O 3.33Å; V173-I248 HydrophobicContact CG1-CG2 4.35Å; V173-L252 HydrophobicContact CG2-CD2 4.27Å; V173-M256 HydrophobicContact CG2-CE 4.5Å; V173-M256 HydrophobicContact CG2-SD 3.63Å
174P96.6Very high96.5Very high11 Ų1132.4 Ų32.47%0.07115%0.152CC..EExtended strand (participates in β ladder)trans-65.4133176.6-23.834.8000112.1F24 S181 G199 A200F24-P174 HydrophobicContact CE1-CB 3.83Å; F24-P174 HydrophobicContact CE1-CG 4.24Å; F24-P174 HydrophobicContact CZ-CB 3.72Å; F24-P174 HydrophobicContact CZ-CG 3.95Å; P174-S181 WeakPolarHBondContact CA-OG 3.06Å; P174-G199 CarbonylContact O-C 3.51Å; P174-G199 WeakPolarHBondContact O-CA 3.47Å; P174-A200 PolarHBondContact O-N 2.83Å
175L96Very high96.6Very high6 Ų633.5 Ų33.53%0.03116%0.159CC..  trans-90.7-90.9178.6-62.1173.4000110.2V173 D179 G180 I182 A200 K245 I248 I261V173-L175 PolarHBondContact O-N 2.95Å; L175-D179 HydrophobicContact CB-CB 4.1Å; L175-D179 HydrophobicContact CD1-CB 3.89Å; L175-G180 WeakPolarHBondContact CA-O 3.4Å; L175-G180 WeakPolarHBondContact CB-O 3.46Å; L175-G180 PolarHBondContact N-O 3.29Å; L175-I182 HydrophobicContact CD1-CD1 4.19Å; L175-I182 HydrophobicContact CD1-CG1 3.92Å; L175-I182 HydrophobicContact CD2-CD1 3.82Å; L175-I182 HydrophobicContact CD2-CG1 4.21Å; L175-I182 HydrophobicContact CG-CD1 4.26Å; L175-I182 HydrophobicContact CG-CG1 4.1Å; L175-A200 HydrophobicContact CD2-CB 4.23Å; L175-K245 HydrophobicContact CD1-CB 4.01Å; L175-K245 HydrophobicContact CD1-CD 3.84Å; L175-K245 HydrophobicContact CD1-CG 3.71Å; L175-I248 HydrophobicContact CD2-CB 3.91Å; L175-I248 HydrophobicContact CD2-CG1 3.97Å; L175-I248 HydrophobicContact CD2-CG2 3.78Å; L175-I261 HydrophobicContact CD1-CG2 4.42Å
176N94.8Very high96.6Very high11 Ų1133.6 Ų33.66%0.05916%0.16CC..  trans-150169.9179.366.260.2000109.2K178 D179 G180 P239 Y242N176-K178 PolarHBondContact O-N 2.98Å; N176-K178 WeakPolarHBondContact OD1-CA 3.4Å; N176-K178 WeakPolarHBondContact OD1-CB 3.42Å; N176-K178 PolarHBondContact OD1-N 3.42Å; N176-D179 PolarHBondContact ND2-OD2 3.22Å; N176-D179 PolarHBondContact O-N 3.14Å; N176-D179 VanDerWaalsContact O-N 3.15Å; N176-D179 PolarHBondContact OD1-N 2.83Å; N176-G180 PolarHBondContact O-N 3.43Å; N176-P239 HydrophobicContact CB-CB 4.26Å; N176-Y242 HydrophobicContact CB-CD2 4.09Å; N176-Y242 HydrophobicContact CB-CG 4.27Å
177M94.8Very high96.7Very high4 Ų435 Ų352%0.0217%0.168CC..THydrogen-bonded Turntrans-57.3-19.5-174.3-63.1173.265.800115Y218 M222 E237 P264 N267 K269M177-Y218 HydrophobicContact CE-CE2 4.41Å; M177-Y218 WeakPolarHBondContact CE-OH 3.28Å; M177-Y218 HydrophobicContact SD-CE2 4.23Å; M177-Y218 PolarHBondContact SD-OH 3.48Å; M177-M222 HydrophobicContact CB-CE 3.63Å; M177-M222 HydrophobicContact CB-SD 3.72Å; M177-M222 HydrophobicContact CE-CE 3.99Å; M177-M222 WeakPolarHBondContact O-CE 3.35Å; M177-E237 HydrophobicContact SD-CB 4.35Å; M177-P264 VanDerWaalsContact O-CG 3.22Å; M177-P264 WeakPolarHBondContact O-CG 3.31Å; M177-N267 WeakPolarHBondContact CE-OD1 3.47Å; M177-K269 HydrophobicContact CE-CB 4.15Å; M177-K269 HydrophobicContact CG-CD 4.38Å; M177-K269 HydrophobicContact SD-CB 4.45Å; M177-K269 HydrophobicContact SD-CD 4.17Å; M177-K269 HydrophobicContact SD-CG 4.46Å
178K96Very high96.7Very high91 Ų9128.2 Ų28.240%0.39614%0.142SC..THydrogen-bonded Turntrans-95.1-43.8178.3177.2-164168.4-1650111.9N176 M222 P239 P264N176-K178 PolarHBondContact O-N 2.98Å; N176-K178 WeakPolarHBondContact OD1-CA 3.4Å; N176-K178 WeakPolarHBondContact OD1-CB 3.42Å; N176-K178 PolarHBondContact OD1-N 3.42Å; K178-M222 HydrophobicContact CB-SD 4.02Å; K178-P239 HydrophobicContact CB-CB 4.19Å; K178-P239 HydrophobicContact CB-CG 3.73Å; K178-P264 VanDerWaalsContact O-CD 3.23Å; K178-P264 WeakPolarHBondContact O-CD 3.41Å; K178-P264 WeakPolarHBondContact O-CG 3.39Å
179D96.3Very high96.7Very high31 Ų3123.7 Ų23.717%0.16612%0.118CC..THydrogen-bonded Turntrans-89.3-12-170.8-67-45.6000113.2L175 N176L175-D179 HydrophobicContact CB-CB 4.1Å; L175-D179 HydrophobicContact CD1-CB 3.89Å; N176-D179 PolarHBondContact ND2-OD2 3.22Å; N176-D179 PolarHBondContact O-N 3.14Å; N176-D179 VanDerWaalsContact O-N 3.15Å; N176-D179 PolarHBondContact OD1-N 2.83Å
180G96.6Very high96.7Very high1 Ų125.9 Ų25.91%0.0113%0.132CC..  trans78-130.8174.700000112.8L175 N176 I262L175-G180 WeakPolarHBondContact CA-O 3.4Å; L175-G180 WeakPolarHBondContact CB-O 3.46Å; L175-G180 PolarHBondContact N-O 3.29Å; N176-G180 PolarHBondContact O-N 3.43Å; G180-I262 WeakPolarHBondContact CA-O 3.46Å
181S97.6Very high96.7Very high0 Ų030.3 Ų30.30%015%0.154CC..EExtended strand (participates in β ladder)trans-137.3152.7-174.4-61.70000112.2P174 I261 I262P174-S181 WeakPolarHBondContact CA-OG 3.06Å; S181-I261 WeakPolarHBondContact O-CA 3.47Å; S181-I262 PolarHBondContact N-O 2.88Å; S181-I262 VanDerWaalsContact N-O 3.08Å; S181-I262 VanDerWaalsContact O-CG1 3.3Å; S181-I262 WeakPolarHBondContact O-CG1 3.36Å; S181-I262 PolarHBondContact O-N 3.29Å
182I97.7Very high96.6Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-97.4130.1172.5-58.2174.4000108.2I172 V173 L175 I248 L249 L252 M256 V258 E260 I261I172-I182 CarbonylContact C-O 3.51Å; I172-I182 VanDerWaalsContact CA-O 3.3Å; I172-I182 WeakPolarHBondContact CA-O 3.32Å; V173-I182 HydrophobicContact CB-CB 4.31Å; V173-I182 PolarHBondContact N-O 3.01Å; V173-I182 PolarHBondContact O-N 2.89Å; L175-I182 HydrophobicContact CD1-CD1 4.19Å; L175-I182 HydrophobicContact CD1-CG1 3.92Å; L175-I182 HydrophobicContact CD2-CD1 3.82Å; L175-I182 HydrophobicContact CD2-CG1 4.21Å; L175-I182 HydrophobicContact CG-CD1 4.26Å; L175-I182 HydrophobicContact CG-CG1 4.1Å; I182-I248 HydrophobicContact CD1-CG2 3.95Å; I182-L249 HydrophobicContact CD1-CD2 3.78Å; I182-L249 HydrophobicContact CD1-CG 4.35Å; I182-L252 HydrophobicContact CD1-CD1 3.62Å; I182-L252 HydrophobicContact CG2-CD1 4.41Å; I182-M256 HydrophobicContact CG2-CE 4.26Å; I182-V258 HydrophobicContact CG2-CB 4.31Å; I182-V258 HydrophobicContact CG2-CG1 3.69Å; I182-V258 HydrophobicContact CG2-CG2 3.95Å; I182-E260 WeakPolarHBondContact CA-O 3.37Å; I182-I261 HydrophobicContact CG1-CG1 4.26Å; I182-I261 HydrophobicContact CG1-CG2 4.46Å
183I97.2Very high96.6Very high13 Ų1339.1 Ų39.17%0.06719%0.193CC..EExtended strand (participates in β ladder)trans-102.3137.2169.3-55.9-62.7000108.3F144 I172 K259 E260 I262F144-I183 HydrophobicContact CE1-CD1 4.48Å; F144-I183 HydrophobicContact CZ-CD1 4.09Å; I172-I183 HydrophobicContact CB-CD1 3.97Å; I172-I183 HydrophobicContact CD1-CD1 3.79Å; I172-I183 HydrophobicContact CG1-CD1 3.79Å; I183-K259 PolarHBondContact O-N 3.47Å; I183-E260 PolarHBondContact N-O 3.27Å; I183-E260 PolarHBondContact O-N 3.34Å; I183-I262 HydrophobicContact CD1-CD1 4.06Å; I183-I262 HydrophobicContact CG1-CD1 4.1Å; I183-I262 HydrophobicContact CG1-CG1 4.33Å; I183-I262 HydrophobicContact CG1-CG2 4.17Å
184G96.7Very high96.6Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-169.1-162.8172.900000113.4M171 E257M171-G184 PolarHBondContact N-O 3.39Å; M171-G184 PolarHBondContact O-N 3.3Å; M171-G184 VanDerWaalsContact O-N 3.07Å; G184-E257 CarbonylContact C-O 3.6Å; G184-E257 WeakPolarHBondContact CA-O 3.41Å
185V97.4Very high96.6Very high30 Ų3041.7 Ų41.718%0.18221%0.207CC..EExtended strand (participates in β ladder)trans-130.1137-177.2-64.40000111.1E169 M256 E257E169-V185 CarbonylContact O-C 3.3Å; E169-V185 WeakPolarHBondContact O-CA 3.43Å; V185-M256 CarbonylContact O-C 3.56Å; V185-M256 WeakPolarHBondContact O-CA 3.5Å; V185-M256 VanDerWaalsContact O-CB 3.3Å; V185-M256 WeakPolarHBondContact O-CB 3.43Å; V185-E257 HydrophobicContact CG2-CB 3.87Å; V185-E257 PolarHBondContact N-O 2.91Å; V185-E257 PolarHBondContact O-N 3.48Å
186G97.8Very high96.5Very high2 Ų241.6 Ų41.62%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-62.5142.1178.800000112.1A165 R166 K167 N168 E169A165-G186 WeakPolarHBondContact O-CA 3.4Å; R166-G186 CarbonylContact O-C 3.58Å; R166-G186 VanDerWaalsContact O-C 3.3Å; R166-G186 VanDerWaalsContact O-CA 3.24Å; R166-G186 WeakPolarHBondContact O-CA 3.44Å; K167-G186 CarbonylContact C-O 3.56Å; K167-G186 WeakPolarHBondContact CA-O 3.43Å; N168-G186 PolarHBondContact N-O 3.35Å; E169-G186 PolarHBondContact O-N 3.4Å
187K98Very high96.5Very high88 Ų8842.8 Ų42.838%0.38322%0.216SC..  trans-86.2-18.7176.8-73.7-175.8174.5-169.40112.8H253 T255K187-H253 WeakPolarHBondContact CD-O 2.86Å; K187-H253 VanDerWaalsContact CE-O 3.29Å; K187-H253 WeakPolarHBondContact CE-O 3.04Å; K187-H253 PolarHBondContact NZ-O 3.25Å; K187-T255 PolarHBondContact N-O 2.9Å
188G97.2Very high96.4Very high14 Ų1444 Ų4414%0.14422%0.221CC..  trans69.444.9-174.900000112.7A165 D190A165-G188 WeakPolarHBondContact O-CA 3.44Å; A165-G188 PolarHBondContact O-N 3.23Å; G188-D190 PolarHBondContact O-N 3.1Å
189N97.1Very high96.3Very high31 Ų3139.9 Ų39.917%0.16621%0.206CC..  trans-69.6109.9177.4-175.8-9.7000110.9E191 W192 Q194 E254N189-E191 PolarHBondContact O-N 3.16Å; N189-E191 WeakPolarHBondContact OD1-CB 3.42Å; N189-E191 PolarHBondContact OD1-N 3.19Å; N189-W192 PolarHBondContact O-N 3.12Å; N189-Q194 VanDerWaalsContact O-CA 3.24Å; N189-Q194 WeakPolarHBondContact O-CA 3.3Å; N189-Q194 PolarHBondContact O-N 2.95Å; N189-E254 WeakPolarHBondContact CB-O 3.47Å
190D96.7Very high96.1Very high116 Ų11638.6 Ų38.662%0.6220%0.199SC*.G310 helixtrans-66-34.3-177.9-71-32.5000113.2G188 W192 N193 Q194G188-D190 PolarHBondContact O-N 3.1Å; D190-W192 PolarHBondContact O-N 2.98Å; D190-W192 VanDerWaalsContact O-N 3.11Å; D190-N193 PolarHBondContact O-N 2.78Å; D190-N193 VanDerWaalsContact O-N 3.08Å; D190-Q194 PolarHBondContact OD1-NE2 3.01Å
191E96.5Very high95.9Very high165 Ų16540 Ų4077%0.77121%0.213SC*.G310 helixtrans-60-27.4177.7-63.1-173.3171.600111.7N189N189-E191 PolarHBondContact O-N 3.16Å; N189-E191 WeakPolarHBondContact OD1-CB 3.42Å; N189-E191 PolarHBondContact OD1-N 3.19Å
192W94.7Very high95.6Very high97 Ų9743.4 Ų43.437%0.36723%0.226SC..G310 helixtrans-107.423.9-176.7-61.411000111.5N189 D190 Q194 S195 E254 T255N189-W192 PolarHBondContact O-N 3.12Å; D190-W192 PolarHBondContact O-N 2.98Å; D190-W192 VanDerWaalsContact O-N 3.11Å; W192-Q194 PolarHBondContact O-N 3.43Å; W192-Q194 VanDerWaalsContact O-N 3.14Å; W192-S195 WeakPolarHBondContact O-CB 3.2Å; W192-S195 PolarHBondContact O-N 2.85Å; W192-S195 VanDerWaalsContact O-N 3.08Å; W192-S195 PolarHBondContact O-OG 3.17Å; W192-E254 HydrophobicContact CH2-CB 3.84Å; W192-E254 HydrophobicContact CH2-CG 4.49Å; W192-E254 WeakPolarHBondContact CH2-OE2 3.38Å; W192-E254 HydrophobicContact CZ2-CB 4.09Å; W192-E254 WeakPolarHBondContact CZ2-OE2 3.36Å; W192-E254 HydrophobicContact CZ3-CB 4.24Å; W192-T255 HydrophobicContact CD2-CG2 4.49Å; W192-T255 HydrophobicContact CE3-CG2 3.24Å; W192-T255 HydrophobicContact CH2-CG2 4.42Å; W192-T255 HydrophobicContact CZ3-CG2 3.2Å
193N95.8Very high95.3Very high110 Ų11047.3 Ų47.359%0.58825%0.25SS*.THydrogen-bonded Turntrans53.534.2-177.8-59.7-59.1000112.9I157 R159 D190 S195I157-N193 HydrophobicContact CD1-CB 4.48Å; R159-N193 PolarHBondContact NH2-O 3.04Å; R159-N193 VanDerWaalsContact NH2-O 3.15Å; D190-N193 PolarHBondContact O-N 2.78Å; D190-N193 VanDerWaalsContact O-N 3.08Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.92Å; N193-S195 PolarHBondContact O-OG 3.04Å
194Q96.8Very high95Very high43 Ų4348.7 Ų48.720%0.20126%0.257CS..THydrogen-bonded Turntrans50.649-176.6-53.3-176.9-3.100111.3R159 A165 R166 N189 D190 W192R159-Q194 PolarHBondContact NH2-O 3.49Å; A165-Q194 CarbonylContact C-O 3.38Å; A165-Q194 WeakPolarHBondContact CA-O 3.36Å; A165-Q194 PolarHBondContact N-O 3.21Å; R166-Q194 HydrophobicContact CG-CB 4.06Å; R166-Q194 VanDerWaalsContact CG-OE1 3.29Å; N189-Q194 VanDerWaalsContact O-CA 3.24Å; N189-Q194 WeakPolarHBondContact O-CA 3.3Å; N189-Q194 PolarHBondContact O-N 2.95Å; D190-Q194 PolarHBondContact OD1-NE2 3.01Å; W192-Q194 PolarHBondContact O-N 3.43Å; W192-Q194 VanDerWaalsContact O-N 3.14Å
195S96.1Very high94.9Very high22 Ų2251.7 Ų51.715%0.15428%0.278CS..EExtended strand (participates in β ladder)trans-113.8154-175.5-40.90000112.1R159 D163 W192 N193 T255R159-S195 PolarHBondContact NH1-OG 3.32Å; D163-S195 WeakPolarHBondContact O-CA 3.37Å; W192-S195 WeakPolarHBondContact O-CB 3.2Å; W192-S195 PolarHBondContact O-N 2.85Å; W192-S195 VanDerWaalsContact O-N 3.08Å; W192-S195 PolarHBondContact O-OG 3.17Å; N193-S195 VanDerWaalsContact C-N 3.28Å; N193-S195 PolarHBondContact O-N 2.92Å; N193-S195 PolarHBondContact O-OG 3.04Å; S195-T255 VanDerWaalsContact O-CG2 3.3Å; S195-T255 WeakPolarHBondContact O-CG2 3.41Å
196G94.4Very high94.6Very high5 Ų556.2 Ų56.25%0.05229%0.292CS..EExtended strand (participates in β ladder)trans-139.8168.8168.100000111.6A162 D163A162-G196 CarbonylContact C-O 3.47Å; A162-G196 WeakPolarHBondContact CA-O 3.28Å; A162-G196 WeakPolarHBondContact CB-O 3.36Å; D163-G196 PolarHBondContact N-O 3.4Å; D163-G196 PolarHBondContact O-N 3.04Å
197P94.3Very high94.4Very high36 Ų3660.2 Ų60.223%0.23432%0.319CS..EExtended strand (participates in β ladder)trans-74.2138.2-178.430.9-35.2000111.6V173 G199 L252V173-P197 HydrophobicContact CG1-CG 4.41Å; V173-P197 WeakPolarHBondContact CG2-O 3.33Å; P197-G199 PolarHBondContact O-N 3.01Å; P197-G199 VanDerWaalsContact O-N 3.16Å; P197-L252 VanDerWaalsContact CD-CD2 3.45Å; P197-L252 HydrophobicContact CG-CD2 3.24Å; P197-L252 HydrophobicContact CG-CG 4.36Å
198H92.9Very high94.3Very high28 Ų2861.3 Ų61.313%0.1333%0.326CS..SBendtrans-78.48.5177.577.6-23.4000115.2R39 H148 N149 G161 D163R39-H198 PolarHBondContact NH1-O 3.5Å; R39-H198 PolarHBondContact NH2-CD2 3.46Å; R39-H198 PolarHBondContact NH2-O 3.07Å; H148-H198 HydrophobicContact CB-CB 3.7Å; H148-H198 AromaticContact CG-CD2 3.91Å; N149-H198 PolarHBondContact ND2-CD2 3.09Å; G161-H198 PolarHBondContact O-N 2.95Å; G161-H198 PolarHBondContact O-ND1 2.78Å; D163-H198 VanDerWaalsContact CG-CB 3.41Å; D163-H198 WeakPolarHBondContact OD1-CB 3.39Å; D163-H198 VanDerWaalsContact OD2-CA 3.25Å; D163-H198 WeakPolarHBondContact OD2-CA 3.43Å; D163-H198 WeakPolarHBondContact OD2-CB 3.39Å
199G94Very high94Very high6 Ų660.7 Ų60.76%0.06232%0.319CS..SBendtrans155.9173.3-174.300000112.8P174 P197 G201P174-G199 CarbonylContact O-C 3.51Å; P174-G199 WeakPolarHBondContact O-CA 3.47Å; P197-G199 PolarHBondContact O-N 3.01Å; P197-G199 VanDerWaalsContact O-N 3.16Å; G199-G201 PolarHBondContact O-N 3.02Å; G199-G201 VanDerWaalsContact O-N 3.12Å
200A93Very high93.7Very high4 Ų465.1 Ų65.13%0.03333%0.333CS..  trans-62.8-22.9-172.900000115.2P174 L175 K243 I248P174-A200 PolarHBondContact O-N 2.83Å; L175-A200 HydrophobicContact CD2-CB 4.23Å; A200-K243 HydrophobicContact CB-CB 4.47Å; A200-K243 WeakPolarHBondContact O-CB 3.48Å; A200-K243 VanDerWaalsContact O-CD 3.26Å; A200-K243 WeakPolarHBondContact O-CD 3.5Å; A200-K243 VanDerWaalsContact O-CG 3.31Å; A200-K243 WeakPolarHBondContact O-CG 3.39Å; A200-I248 HydrophobicContact CB-CD1 4Å; A200-I248 HydrophobicContact CB-CG1 3.77Å; A200-I248 WeakPolarHBondContact O-CD1 3.29Å
201G91.3Very high93.5Very high30 Ų3064 Ų6431%0.30934%0.341SS..  trans68.7160.7-17200000112.8G199 Y242 K243G199-G201 PolarHBondContact O-N 3.02Å; G199-G201 VanDerWaalsContact O-N 3.12Å; G201-Y242 WeakPolarHBondContact O-CA 3.16Å; G201-Y242 WeakPolarHBondContact O-CD1 3.24Å; G201-K243 PolarHBondContact O-N 3.44Å
202R92.1Very high93.4Very high72 Ų7259.4 Ų59.427%0.27233%0.327SS..BIsolated β-bridgetrans-93.2146-173.1-60.3179.763.384.26.5111.1M204 N236 E237 A241 Y242R202-M204 PolarHBondContact NE-O 3.48Å; R202-M204 PolarHBondContact NH2-O 3.1Å; R202-N236 VanDerWaalsContact CZ-O 3.22Å; R202-N236 PolarHBondContact NH1-O 3.14Å; R202-N236 PolarHBondContact NH2-O 2.79Å; R202-E237 IonicContact NH1-OE1 3.79Å; R202-E237 PolarHBondContact NH1-OE1 3.19Å; R202-A241 VanDerWaalsContact CA-O 3.31Å; R202-A241 WeakPolarHBondContact CA-O 3.46Å; R202-Y242 HydrophobicContact CG-CD1 4.22Å; R202-Y242 HydrophobicContact CG-CE1 3.96Å
203T92.2Very high93.3Very high81 Ų8155.5 Ų55.550%0.49731%0.313SS..SBendtrans-89.8-16.1170.950.10000112.5K240 A241 K243T203-K240 PolarHBondContact OG1-O 3.05Å; T203-A241 PolarHBondContact N-O 2.57Å; T203-A241 PolarHBondContact OG1-O 2.87Å; T203-K243 HydrophobicContact CG2-CB 4.46Å; T203-K243 HydrophobicContact CG2-CG 3.99Å
204M90.6Very high93.2Very high43 Ų4358.8 Ų58.821%0.21232%0.317CS..SBendtrans-152.1158.4-177.260.1-175.174.500112.2R202 Q208 A209 I213R202-M204 PolarHBondContact NE-O 3.48Å; R202-M204 PolarHBondContact NH2-O 3.1Å; M204-Q208 HydrophobicContact CB-CB 4.23Å; M204-Q208 HydrophobicContact CB-CG 4.14Å; M204-Q208 HydrophobicContact SD-CG 4.46Å; M204-A209 HydrophobicContact CG-CB 3.96Å; M204-A209 VanDerWaalsContact SD-CA 3.55Å; M204-A209 HydrophobicContact SD-CB 3.84Å; M204-I213 HydrophobicContact SD-CD1 4.45Å
205S93.6Very high93.1Very high63 Ų6358.2 Ų58.244%0.44132%0.315SS..  trans-62.5161.7176.478.80000111.7S207 Q208 A209S205-S207 VanDerWaalsContact C-N 3.28Å; S205-S207 PolarHBondContact O-N 2.8Å; S205-Q208 PolarHBondContact O-N 3.39Å; S205-Q208 WeakPolarHBondContact OG-CB 3.27Å; S205-Q208 PolarHBondContact OG-N 3.12Å; S205-Q208 VanDerWaalsContact OG-N 3.11Å; S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.45Å
206R92.6Very high93.1Very high125 Ų12562.9 Ų62.947%0.47233%0.334SS..Hα-helixtrans-61-39.1177.3-69.7-178.2176135.1-2.3111.9R210 N236R206-R210 WeakPolarHBondContact O-CG 3.34Å; R206-R210 PolarHBondContact O-N 3.44Å; R206-N236 HydrophobicContact CB-CB 3.99Å; R206-N236 HydrophobicContact CG-CB 4.21Å
207S93.7Very high93.1Very high86 Ų8666.1 Ų66.160%0.60135%0.351SS*.Hα-helixtrans-67.9-44.3178.7-53.30000111.6S205 A209 R210 A211S205-S207 VanDerWaalsContact C-N 3.28Å; S205-S207 PolarHBondContact O-N 2.8Å; S207-A209 VanDerWaalsContact C-N 3.35Å; S207-A209 PolarHBondContact O-N 2.9Å; S207-R210 PolarHBondContact O-N 3.31Å; S207-A211 PolarHBondContact O-N 3.15Å; S207-A211 VanDerWaalsContact O-N 3.07Å
208Q94Very high93.1Very high111 Ų11164.4 Ų64.452%0.51934%0.34SS..Hα-helixtrans-64.6-39.3177.9-174.2179.19.300112M204 S205 R210 A211 S212M204-Q208 HydrophobicContact CB-CB 4.23Å; M204-Q208 HydrophobicContact CB-CG 4.14Å; M204-Q208 HydrophobicContact SD-CG 4.46Å; S205-Q208 PolarHBondContact O-N 3.39Å; S205-Q208 WeakPolarHBondContact OG-CB 3.27Å; S205-Q208 PolarHBondContact OG-N 3.12Å; S205-Q208 VanDerWaalsContact OG-N 3.11Å; Q208-R210 PolarHBondContact O-N 3.32Å; Q208-A211 PolarHBondContact O-N 3.41Å; Q208-S212 WeakPolarHBondContact O-CB 3.47Å; Q208-S212 PolarHBondContact O-N 3.11Å; Q208-S212 PolarHBondContact O-OG 3.47Å
209A91.7Very high93.3Very high0 Ų068 Ų680%036%0.356CS..Hα-helixtrans-61-43.8175.100000112M204 S205 S207 A211 S212 I213 N236 A241M204-A209 HydrophobicContact CG-CB 3.96Å; M204-A209 VanDerWaalsContact SD-CA 3.55Å; M204-A209 HydrophobicContact SD-CB 3.84Å; S205-A209 WeakPolarHBondContact O-CB 3.38Å; S205-A209 PolarHBondContact O-N 3.45Å; S207-A209 VanDerWaalsContact C-N 3.35Å; S207-A209 PolarHBondContact O-N 2.9Å; A209-A211 VanDerWaalsContact C-N 3.31Å; A209-A211 PolarHBondContact O-N 2.91Å; A209-S212 PolarHBondContact O-N 3.45Å; A209-I213 HydrophobicContact CB-CD1 4.06Å; A209-I213 VanDerWaalsContact O-CB 3.31Å; A209-I213 WeakPolarHBondContact O-CB 3.47Å; A209-I213 WeakPolarHBondContact O-CG1 3.4Å; A209-I213 PolarHBondContact O-N 3.45Å; A209-N236 HydrophobicContact CB-CB 4.34Å; A209-A241 HydrophobicContact CB-CB 4.03Å
210R91.7Very high93.4Very high124 Ų12473 Ų7347%0.46838%0.378SS..Hα-helixtrans-64-35.1176.4-72.8174.4-175.8144.5-1.7113.1R206 S207 Q208 L235 N236R206-R210 WeakPolarHBondContact O-CG 3.34Å; R206-R210 PolarHBondContact O-N 3.44Å; S207-R210 PolarHBondContact O-N 3.31Å; Q208-R210 PolarHBondContact O-N 3.32Å; R210-L235 HydrophobicContact CG-CB 4.34Å; R210-N236 HydrophobicContact CG-CB 4.05Å; R210-N236 PolarHBondContact NE-OD1 2.96Å; R210-N236 PolarHBondContact NH2-OD1 2.89Å
211A92.5Very high93.5Very high94 Ų9475.1 Ų75.178%0.77739%0.388SS*.Hα-helixtrans-77.3-32.7-179.100000113.3S207 Q208 A209S207-A211 PolarHBondContact O-N 3.15Å; S207-A211 VanDerWaalsContact O-N 3.07Å; Q208-A211 PolarHBondContact O-N 3.41Å; A209-A211 VanDerWaalsContact C-N 3.31Å; A209-A211 PolarHBondContact O-N 2.91Å
212S93.2Very high93.7Very high68 Ų6873.9 Ų73.948%0.47637%0.374SS..Hα-helixtrans-103.1-27-169.760.70000114.8Q208 A209Q208-S212 WeakPolarHBondContact O-CB 3.47Å; Q208-S212 PolarHBondContact O-N 3.11Å; Q208-S212 PolarHBondContact O-OG 3.47Å; A209-S212 PolarHBondContact O-N 3.45Å
213I92.1Very high93.9Very high14 Ų1477.4 Ų77.47%0.07239%0.387CS..  trans-87.2118.6-176.5-58.6177.1000109.5M204 A209 L235 A238 K240 A241M204-I213 HydrophobicContact SD-CD1 4.45Å; A209-I213 HydrophobicContact CB-CD1 4.06Å; A209-I213 VanDerWaalsContact O-CB 3.31Å; A209-I213 WeakPolarHBondContact O-CB 3.47Å; A209-I213 WeakPolarHBondContact O-CG1 3.4Å; A209-I213 PolarHBondContact O-N 3.45Å; I213-L235 HydrophobicContact CB-CD2 4.34Å; I213-L235 HydrophobicContact CG2-CD2 4Å; I213-L235 WeakPolarHBondContact O-CD2 3.29Å; I213-A238 HydrophobicContact CD1-CB 3.98Å; I213-A238 HydrophobicContact CG2-CB 4.01Å; I213-K240 HydrophobicContact CD1-CB 4Å; I213-K240 HydrophobicContact CG1-CB 4.47Å; I213-A241 HydrophobicContact CD1-CB 4.12Å
214R94.4Very high94.1Very high179 Ų17980.6 Ų80.668%0.67540%0.396SS*.  trans-74.2141172.7-62.6-173.5-178.5-178.4-0.8111.1E216 N217 Y218R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 3.4Å; R214-N217 HydrophobicContact CB-CB 4.43Å; R214-N217 WeakPolarHBondContact O-CB 3.48Å; R214-N217 PolarHBondContact O-N 3.16Å; R214-Y218 PolarHBondContact O-N 3.05Å; R214-Y218 VanDerWaalsContact O-N 3.13Å
215L94.5Very high94.4Very high32 Ų3279.2 Ų79.217%0.16839%0.39CS..Hα-helixtrans-63.8-37.7-178.1-179.861.6000112N217 Y218 Q219 V230 K232 L235L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.3Å; L215-Y218 HydrophobicContact CD1-CD1 4.21Å; L215-Y218 WeakPolarHBondContact O-CB 3.26Å; L215-Y218 PolarHBondContact O-N 3.21Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; L215-Q219 HydrophobicContact CD1-CG 4.38Å; L215-Q219 HydrophobicContact CG-CG 4.4Å; L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 3.08Å; L215-V230 HydrophobicContact CD1-CG1 4.39Å; L215-K232 HydrophobicContact CD2-CG 3.95Å; L215-L235 HydrophobicContact CD1-CD2 4.45Å
216E95.7Very high94.6Very high119 Ų11983.5 Ų83.556%0.55640%0.397SS*.Hα-helixtrans-63.8-40-179.9-57.371.6-153.500110.4R214 H220R214-E216 VanDerWaalsContact C-N 3.31Å; R214-E216 PolarHBondContact O-N 3.4Å; E216-H220 VanDerWaalsContact O-CB 3.24Å; E216-H220 WeakPolarHBondContact O-CB 3.46Å; E216-H220 PolarHBondContact O-N 3.44Å
217N94.5Very high94.8Very high73 Ų7379 Ų7939%0.3938%0.383SS..Hα-helixtrans-65.2-40.8174.1-73.7-21.3000111.2R214 L215 H220 M221R214-N217 HydrophobicContact CB-CB 4.43Å; R214-N217 WeakPolarHBondContact O-CB 3.48Å; R214-N217 PolarHBondContact O-N 3.16Å; L215-N217 VanDerWaalsContact C-N 3.3Å; L215-N217 PolarHBondContact O-N 3.3Å; N217-H220 PolarHBondContact O-N 3.45Å; N217-M221 WeakPolarHBondContact O-CB 3.38Å; N217-M221 VanDerWaalsContact O-CG 3.23Å; N217-M221 WeakPolarHBondContact O-CG 3.18Å; N217-M221 PolarHBondContact O-N 3.35Å
218Y95.3Very high94.8Very high1 Ų179.2 Ų79.20%0.00438%0.381CS..Hα-helixtrans-63.8-47.9177.6-179.5-158.6000111.4M177 R214 L215 H220 M221 M222 V230 T234 L235 A238M177-Y218 HydrophobicContact CE-CE2 4.41Å; M177-Y218 WeakPolarHBondContact CE-OH 3.28Å; M177-Y218 HydrophobicContact SD-CE2 4.23Å; M177-Y218 PolarHBondContact SD-OH 3.48Å; R214-Y218 PolarHBondContact O-N 3.05Å; R214-Y218 VanDerWaalsContact O-N 3.13Å; L215-Y218 HydrophobicContact CD1-CD1 4.21Å; L215-Y218 WeakPolarHBondContact O-CB 3.26Å; L215-Y218 PolarHBondContact O-N 3.21Å; L215-Y218 VanDerWaalsContact O-N 3.1Å; Y218-H220 PolarHBondContact O-N 2.94Å; Y218-M221 PolarHBondContact O-N 2.81Å; Y218-M222 HydrophobicContact CD2-CG 3.8Å; Y218-M222 HydrophobicContact CE2-CG 3.64Å; Y218-M222 HydrophobicContact CE2-SD 4.46Å; Y218-M222 WeakPolarHBondContact O-CB 3.33Å; Y218-M222 WeakPolarHBondContact O-CG 3.5Å; Y218-M222 PolarHBondContact O-N 2.82Å; Y218-M222 VanDerWaalsContact O-N 3.1Å; Y218-V230 HydrophobicContact CD1-CG1 3.83Å; Y218-V230 HydrophobicContact CD2-CG1 4.42Å; Y218-V230 HydrophobicContact CD2-CG2 4.3Å; Y218-V230 HydrophobicContact CE1-CB 4.21Å; Y218-V230 HydrophobicContact CE1-CG1 3.94Å; Y218-V230 HydrophobicContact CE1-CG2 4.18Å; Y218-V230 HydrophobicContact CE2-CG1 4.49Å; Y218-V230 HydrophobicContact CE2-CG2 3.75Å; Y218-V230 HydrophobicContact CG-CG1 4.09Å; Y218-T234 WeakPolarHBondContact CE1-OG1 3.48Å; Y218-T234 PolarHBondContact OH-OG1 3.48Å; Y218-L235 HydrophobicContact CD1-CD2 3.82Å; Y218-L235 HydrophobicContact CG-CD2 4.47Å; Y218-A238 HydrophobicContact CD1-CB 4.11Å; Y218-A238 HydrophobicContact CD2-CB 3.53Å; Y218-A238 HydrophobicContact CE1-CB 4.3Å; Y218-A238 HydrophobicContact CE2-CB 3.78Å; Y218-A238 HydrophobicContact CG-CB 3.72Å
219Q96.2Very high94.8Very high102 Ų10274.3 Ų74.348%0.47736%0.359SS..Hα-helixtrans-58-46.4173.5-72171.7-37.600111.6L215 M221 M222 R223 V230L215-Q219 HydrophobicContact CD1-CG 4.38Å; L215-Q219 HydrophobicContact CG-CG 4.4Å; L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 3.08Å; Q219-M221 VanDerWaalsContact C-N 3.34Å; Q219-M221 PolarHBondContact O-N 3.01Å; Q219-M222 CarbonylContact O-C 3.44Å; Q219-M222 PolarHBondContact O-N 3.23Å; Q219-M222 VanDerWaalsContact O-N 3.15Å; Q219-R223 PolarHBondContact O-N 2.79Å; Q219-V230 HydrophobicContact CB-CG1 4.4Å; Q219-V230 HydrophobicContact CG-CG1 3.55Å
220H96.4Very high94.9Very high111 Ų11175.7 Ų75.751%0.51437%0.367SS..Hα-helixtrans-62.2-39.9178.9-178.779.1000112.8E216 N217 Y218 M222 R223E216-H220 VanDerWaalsContact O-CB 3.24Å; E216-H220 WeakPolarHBondContact O-CB 3.46Å; E216-H220 PolarHBondContact O-N 3.44Å; N217-H220 PolarHBondContact O-N 3.45Å; Y218-H220 PolarHBondContact O-N 2.94Å; H220-M222 VanDerWaalsContact C-N 3.28Å; H220-M222 PolarHBondContact O-N 3.45Å; H220-R223 PolarHBondContact CD2-NH1 2.94Å; H220-R223 PolarHBondContact CE1-NH1 3.36Å; H220-R223 VanDerWaalsContact CE1-NH1 3.33Å; H220-R223 PolarHBondContact NE2-NH1 3.29Å; H220-R223 WeakPolarHBondContact O-CD 3.39Å; H220-R223 VanDerWaalsContact O-CG 3.3Å; H220-R223 WeakPolarHBondContact O-CG 3.44Å; H220-R223 PolarHBondContact O-N 2.87Å; H220-R223 PolarHBondContact O-NH1 2.78Å
221M94.9Very high95Very high49 Ų4971.8 Ų71.824%0.24136%0.359CS..Hα-helixtrans-66-32176.5-73.9-176.382.800112.5N217 Y218 Q219 P239 K240N217-M221 WeakPolarHBondContact O-CB 3.38Å; N217-M221 VanDerWaalsContact O-CG 3.23Å; N217-M221 WeakPolarHBondContact O-CG 3.18Å; N217-M221 PolarHBondContact O-N 3.35Å; Y218-M221 PolarHBondContact O-N 2.81Å; Q219-M221 VanDerWaalsContact C-N 3.34Å; Q219-M221 PolarHBondContact O-N 3.01Å; M221-P239 HydrophobicContact CB-CG 4.47Å; M221-P239 HydrophobicContact CE-CB 3.56Å; M221-P239 HydrophobicContact CE-CG 4.33Å; M221-P239 HydrophobicContact SD-CB 4.29Å; M221-K240 HydrophobicContact CE-CG 4.36Å; M221-K240 HydrophobicContact SD-CD 4.43Å; M221-K240 HydrophobicContact SD-CG 4.08Å
222M96.5Very high95Very high5 Ų574.9 Ų74.93%0.02536%0.355CS..Hα-helixtrans-941.7-177.6-67.1-60.2-65.500113.8M177 K178 Y218 Q219 H220 H224 V225 T227 V230 P239 N267M177-M222 HydrophobicContact CB-CE 3.63Å; M177-M222 HydrophobicContact CB-SD 3.72Å; M177-M222 HydrophobicContact CE-CE 3.99Å; M177-M222 WeakPolarHBondContact O-CE 3.35Å; K178-M222 HydrophobicContact CB-SD 4.02Å; Y218-M222 HydrophobicContact CD2-CG 3.8Å; Y218-M222 HydrophobicContact CE2-CG 3.64Å; Y218-M222 HydrophobicContact CE2-SD 4.46Å; Y218-M222 WeakPolarHBondContact O-CB 3.33Å; Y218-M222 WeakPolarHBondContact O-CG 3.5Å; Y218-M222 PolarHBondContact O-N 2.82Å; Y218-M222 VanDerWaalsContact O-N 3.1Å; Q219-M222 CarbonylContact O-C 3.44Å; Q219-M222 PolarHBondContact O-N 3.23Å; Q219-M222 VanDerWaalsContact O-N 3.15Å; H220-M222 VanDerWaalsContact C-N 3.28Å; H220-M222 PolarHBondContact O-N 3.45Å; M222-H224 PolarHBondContact O-N 2.93Å; M222-V225 HydrophobicContact CE-CB 3.75Å; M222-V225 HydrophobicContact CE-CG1 3.78Å; M222-V225 HydrophobicContact CE-CG2 4.29Å; M222-V225 PolarHBondContact O-N 3.5Å; M222-T227 HydrophobicContact CB-CG2 4.41Å; M222-T227 HydrophobicContact CE-CG2 3.83Å; M222-V230 HydrophobicContact CB-CG2 3.82Å; M222-V230 HydrophobicContact CG-CG2 3.71Å; M222-P239 HydrophobicContact SD-CG 3.83Å; M222-N267 HydrophobicContact CE-CB 4.49Å
223R95.8Very high94.9Very high145 Ų14580.1 Ų80.155%0.54737%0.369SS..THydrogen-bonded Turntrans-54.7-22-172.972.5-177.8179.6-91.38.8116.1Q219 H220Q219-R223 PolarHBondContact O-N 2.79Å; H220-R223 PolarHBondContact CD2-NH1 2.94Å; H220-R223 PolarHBondContact CE1-NH1 3.36Å; H220-R223 VanDerWaalsContact CE1-NH1 3.33Å; H220-R223 PolarHBondContact NE2-NH1 3.29Å; H220-R223 WeakPolarHBondContact O-CD 3.39Å; H220-R223 VanDerWaalsContact O-CG 3.3Å; H220-R223 WeakPolarHBondContact O-CG 3.44Å; H220-R223 PolarHBondContact O-N 2.87Å; H220-R223 PolarHBondContact O-NH1 2.78Å
224H96Very high94.9Very high149 Ų14980.3 Ų80.369%0.6937%0.371SS*.THydrogen-bonded Turntrans-1064.6-178.2-62.6-43.1000113M222M222-H224 PolarHBondContact O-N 2.93Å
225V97.4Very high94.8Very high14 Ų1472.5 Ų72.59%0.08534%0.343CS..SBendtrans-119.5120.8177.2-177.70000107.1M222 T227 P264 N267M222-V225 HydrophobicContact CE-CB 3.75Å; M222-V225 HydrophobicContact CE-CG1 3.78Å; M222-V225 HydrophobicContact CE-CG2 4.29Å; M222-V225 PolarHBondContact O-N 3.5Å; V225-T227 PolarHBondContact O-N 3.28Å; V225-P264 HydrophobicContact CG1-CB 3.97Å; V225-P264 HydrophobicContact CG1-CG 4.16Å; V225-P264 HydrophobicContact CG2-CG 3.98Å; V225-N267 HydrophobicContact CG1-CB 3.94Å
226W97.4Very high94.6Very high152 Ų15271.3 Ų71.358%0.57634%0.337SS*.BIsolated β-bridgetrans-66.6124.1175.7-165106000109.1T228 L265 Y266 N267W226-T228 HydrophobicContact CH2-CG2 3.42Å; W226-T228 VanDerWaalsContact CH2-CG2 3.42Å; W226-T228 HydrophobicContact CZ2-CG2 4.31Å; W226-T228 HydrophobicContact CZ3-CG2 3.66Å; W226-L265 WeakPolarHBondContact CB-O 3.35Å; W226-L265 PolarHBondContact N-O 3.02Å; W226-Y266 HydrophobicContact CD2-CD2 4.01Å; W226-Y266 HydrophobicContact CD2-CE2 4.26Å; W226-Y266 AromaticContact CE3-CD2 3.22Å; W226-Y266 HydrophobicContact CE3-CD2 3.22Å; W226-Y266 AromaticContact CE3-CE2 3.2Å; W226-Y266 HydrophobicContact CE3-CE2 3.2Å; W226-Y266 HydrophobicContact CE3-CG 4.39Å; W226-Y266 HydrophobicContact CH2-CE2 4.11Å; W226-Y266 AromaticContact CZ3-CD2 3.72Å; W226-Y266 HydrophobicContact CZ3-CD2 3.72Å; W226-Y266 AromaticContact CZ3-CE2 3.13Å; W226-Y266 HydrophobicContact CZ3-CE2 3.13Å; W226-Y266 CarbonylContact O-C 3.5Å; W226-Y266 VanDerWaalsContact O-CA 3.3Å; W226-Y266 WeakPolarHBondContact O-CA 3.36Å; W226-N267 PolarHBondContact O-N 3.44Å
227T96.3Very high94.5Very high30 Ų3065.8 Ų65.818%0.18431%0.311CS..  trans-159138.7178.3-177.10000111.6M222 V225 S229 V230 N267M222-T227 HydrophobicContact CB-CG2 4.41Å; M222-T227 HydrophobicContact CE-CG2 3.83Å; V225-T227 PolarHBondContact O-N 3.28Å; T227-S229 PolarHBondContact OG1-N 2.93Å; T227-V230 HydrophobicContact CG2-CB 4.21Å; T227-V230 HydrophobicContact CG2-CG2 3.34Å; T227-N267 WeakPolarHBondContact CA-O 3.34Å; T227-N267 WeakPolarHBondContact CB-O 3.41Å; T227-N267 PolarHBondContact OG1-O 2.99Å
228T94.2Very high94.5Very high91 Ų9162.4 Ų62.456%0.55829%0.293SS*.SBendtrans-93.7-6.1167.747.60000112.3W226W226-T228 HydrophobicContact CH2-CG2 3.42Å; W226-T228 VanDerWaalsContact CH2-CG2 3.42Å; W226-T228 HydrophobicContact CZ2-CG2 4.31Å; W226-T228 HydrophobicContact CZ3-CG2 3.66Å
229S94.5Very high94.4Very high9 Ų962.6 Ų62.66%0.06329%0.294CS..  trans-84.7-15-172.5-600000113.2T227 S231 T234 K269T227-S229 PolarHBondContact OG1-N 2.93Å; S229-S231 PolarHBondContact O-N 2.93Å; S229-T234 WeakPolarHBondContact O-CB 3.21Å; S229-T234 VanDerWaalsContact O-CG2 3.25Å; S229-T234 WeakPolarHBondContact O-CG2 3.26Å; S229-T234 PolarHBondContact O-OG1 2.98Å; S229-K269 PolarHBondContact OG-N 3.11Å; S229-K269 PolarHBondContact OG-O 3.15Å
230V94.2Very high94.3Very high28 Ų2863.5 Ų63.517%0.1730%0.296CS..  trans-67.2104.7178172.60000110.1L215 Y218 Q219 M222 T227L215-V230 HydrophobicContact CD1-CG1 4.39Å; Y218-V230 HydrophobicContact CD1-CG1 3.83Å; Y218-V230 HydrophobicContact CD2-CG1 4.42Å; Y218-V230 HydrophobicContact CD2-CG2 4.3Å; Y218-V230 HydrophobicContact CE1-CB 4.21Å; Y218-V230 HydrophobicContact CE1-CG1 3.94Å; Y218-V230 HydrophobicContact CE1-CG2 4.18Å; Y218-V230 HydrophobicContact CE2-CG1 4.49Å; Y218-V230 HydrophobicContact CE2-CG2 3.75Å; Y218-V230 HydrophobicContact CG-CG1 4.09Å; Q219-V230 HydrophobicContact CB-CG1 4.4Å; Q219-V230 HydrophobicContact CG-CG1 3.55Å; M222-V230 HydrophobicContact CB-CG2 3.82Å; M222-V230 HydrophobicContact CG-CG2 3.71Å; T227-V230 HydrophobicContact CG2-CB 4.21Å; T227-V230 HydrophobicContact CG2-CG2 3.34Å
231S93.9Very high94.1Very high42 Ų4258.2 Ų58.229%0.29427%0.272SS..SBendtrans-156.5173.1179.270.60000110.8S229 K233 T234 L235S229-S231 PolarHBondContact O-N 2.93Å; S231-K233 PolarHBondContact O-N 3.34Å; S231-K233 PolarHBondContact OG-N 2.95Å; S231-T234 PolarHBondContact N-OG1 3.16Å; S231-T234 PolarHBondContact O-N 3.07Å; S231-T234 PolarHBondContact O-OG1 3.46Å; S231-L235 PolarHBondContact O-N 3.17Å
232K91.2Very high94Very high160 Ų16057.2 Ų57.270%0.69627%0.266SS*.G310 helixtrans-56.8-30.2173.2-66-173178.9179.20112.7L215 T234 L235L215-K232 HydrophobicContact CD2-CG 3.95Å; K232-T234 VanDerWaalsContact C-N 3.34Å; K232-T234 PolarHBondContact O-N 2.96Å; K232-L235 HydrophobicContact CB-CD1 4.42Å
233K90.8Very high93.9Very high178 Ų17860.8 Ų60.877%0.77428%0.281SS*.G310 helixtrans-70.5-29.3-178-67.5-179.6177.2179.30112.8S231 N236S231-K233 PolarHBondContact O-N 3.34Å; S231-K233 PolarHBondContact OG-N 2.95Å; K233-N236 PolarHBondContact O-OD1 3.29Å
234T92.7Very high93.8Very high17 Ų1757.1 Ų57.110%0.10428%0.278CS..G310 helixtrans-104.910.6-175.759.60000113.2Y218 S229 S231 K232 N236 E237Y218-T234 WeakPolarHBondContact CE1-OG1 3.48Å; Y218-T234 PolarHBondContact OH-OG1 3.48Å; S229-T234 WeakPolarHBondContact O-CB 3.21Å; S229-T234 VanDerWaalsContact O-CG2 3.25Å; S229-T234 WeakPolarHBondContact O-CG2 3.26Å; S229-T234 PolarHBondContact O-OG1 2.98Å; S231-T234 PolarHBondContact N-OG1 3.16Å; S231-T234 PolarHBondContact O-N 3.07Å; S231-T234 PolarHBondContact O-OG1 3.46Å; K232-T234 VanDerWaalsContact C-N 3.34Å; K232-T234 PolarHBondContact O-N 2.96Å; T234-N236 PolarHBondContact O-N 2.95Å; T234-N236 VanDerWaalsContact O-N 3.07Å; T234-E237 WeakPolarHBondContact O-CA 3.5Å; T234-E237 WeakPolarHBondContact O-CB 3.43Å; T234-E237 PolarHBondContact O-N 3.35Å
235L92.4Very high93.7Very high16 Ų1652.9 Ų52.98%0.08426%0.257CS..G310 helixtrans-53.7-31.3178-80.8169.7000113.3R210 I213 L215 Y218 S231 K232 E237 A238R210-L235 HydrophobicContact CG-CB 4.34Å; I213-L235 HydrophobicContact CB-CD2 4.34Å; I213-L235 HydrophobicContact CG2-CD2 4Å; I213-L235 WeakPolarHBondContact O-CD2 3.29Å; L215-L235 HydrophobicContact CD1-CD2 4.45Å; Y218-L235 HydrophobicContact CD1-CD2 3.82Å; Y218-L235 HydrophobicContact CG-CD2 4.47Å; S231-L235 PolarHBondContact O-N 3.17Å; K232-L235 HydrophobicContact CB-CD1 4.42Å; L235-E237 PolarHBondContact O-N 3.39Å; L235-E237 VanDerWaalsContact O-N 3.17Å; L235-A238 WeakPolarHBondContact O-CB 3.49Å; L235-A238 PolarHBondContact O-N 3.29Å
236N91.4Very high93.5Very high7 Ų760.2 Ų60.24%0.03729%0.288CS..G310 helixtrans-64-16.8175.453.4-72.2000114.1R202 R206 A209 R210 K233 T234 A241R202-N236 VanDerWaalsContact CZ-O 3.22Å; R202-N236 PolarHBondContact NH1-O 3.14Å; R202-N236 PolarHBondContact NH2-O 2.79Å; R206-N236 HydrophobicContact CB-CB 3.99Å; R206-N236 HydrophobicContact CG-CB 4.21Å; A209-N236 HydrophobicContact CB-CB 4.34Å; R210-N236 HydrophobicContact CG-CB 4.05Å; R210-N236 PolarHBondContact NE-OD1 2.96Å; R210-N236 PolarHBondContact NH2-OD1 2.89Å; K233-N236 PolarHBondContact O-OD1 3.29Å; T234-N236 PolarHBondContact O-N 2.95Å; T234-N236 VanDerWaalsContact O-N 3.07Å; N236-A241 WeakPolarHBondContact O-CB 3.42Å
237E92.8Very high93.4Very high3 Ų357.2 Ų57.21%0.01428%0.28CS..G310 helixtrans-109.42.6-176.3-54.3-61.7129.800112.1G21 M177 R202 T234 L235 Y242 K269G21-E237 VanDerWaalsContact O-CD 3.27Å; M177-E237 HydrophobicContact SD-CB 4.35Å; R202-E237 IonicContact NH1-OE1 3.79Å; R202-E237 PolarHBondContact NH1-OE1 3.19Å; T234-E237 WeakPolarHBondContact O-CA 3.5Å; T234-E237 WeakPolarHBondContact O-CB 3.43Å; T234-E237 PolarHBondContact O-N 3.35Å; L235-E237 PolarHBondContact O-N 3.39Å; L235-E237 VanDerWaalsContact O-N 3.17Å; E237-Y242 PolarHBondContact OE2-OH 3.31Å; E237-K269 HydrophobicContact CB-CD 4.14Å; E237-K269 HydrophobicContact CB-CG 4.2Å; E237-K269 HydrophobicContact CG-CD 4.41Å; E237-K269 HydrophobicContact CG-CG 4.3Å; E237-K269 WeakPolarHBondContact OE2-CE 3.47Å; E237-K269 IonicContact OE2-NZ 3.48Å; E237-K269 PolarHBondContact OE2-NZ 3.12Å
238A93.4Very high93.3Very high1 Ų156 Ų561%0.00827%0.273CS..SBendtrans-57150.8177.400000111.3I213 Y218 L235 K240 A241I213-A238 HydrophobicContact CD1-CB 3.98Å; I213-A238 HydrophobicContact CG2-CB 4.01Å; Y218-A238 HydrophobicContact CD1-CB 4.11Å; Y218-A238 HydrophobicContact CD2-CB 3.53Å; Y218-A238 HydrophobicContact CE1-CB 4.3Å; Y218-A238 HydrophobicContact CE2-CB 3.78Å; Y218-A238 HydrophobicContact CG-CB 3.72Å; L235-A238 WeakPolarHBondContact O-CB 3.49Å; L235-A238 PolarHBondContact O-N 3.29Å; A238-K240 PolarHBondContact O-N 3.47Å; A238-A241 VanDerWaalsContact O-CB 3.26Å; A238-A241 WeakPolarHBondContact O-CB 3.28Å; A238-A241 PolarHBondContact O-N 3.26Å
239P93.7Very high93.3Very high5 Ų554.7 Ų54.73%0.03226%0.262CS..G310 helixtrans-51.9-35-175.9-31.636.1000115.5N176 K178 M221 M222 A241 Y242N176-P239 HydrophobicContact CB-CB 4.26Å; K178-P239 HydrophobicContact CB-CB 4.19Å; K178-P239 HydrophobicContact CB-CG 3.73Å; M221-P239 HydrophobicContact CB-CG 4.47Å; M221-P239 HydrophobicContact CE-CB 3.56Å; M221-P239 HydrophobicContact CE-CG 4.33Å; M221-P239 HydrophobicContact SD-CB 4.29Å; M222-P239 HydrophobicContact SD-CG 3.83Å; P239-A241 PolarHBondContact O-N 3.04Å; P239-Y242 PolarHBondContact O-N 3.04Å
240K93.8Very high93.2Very high122 Ų12258.6 Ų58.653%0.5329%0.285SS..G310 helixtrans-65.3-18.7176.7-102.3-177175.3-178.20114.9T203 I213 M221 A238 Y242T203-K240 PolarHBondContact OG1-O 3.05Å; I213-K240 HydrophobicContact CD1-CB 4Å; I213-K240 HydrophobicContact CG1-CB 4.47Å; M221-K240 HydrophobicContact CE-CG 4.36Å; M221-K240 HydrophobicContact SD-CD 4.43Å; M221-K240 HydrophobicContact SD-CG 4.08Å; A238-K240 PolarHBondContact O-N 3.47Å; K240-Y242 PolarHBondContact O-N 3.42Å
241A92.5Very high93.1Very high0 Ų060.1 Ų60.10%029%0.293CS..G310 helixtrans-76.1-10.8178.300000113.1R202 T203 A209 I213 N236 A238 P239R202-A241 VanDerWaalsContact CA-O 3.31Å; R202-A241 WeakPolarHBondContact CA-O 3.46Å; T203-A241 PolarHBondContact N-O 2.57Å; T203-A241 PolarHBondContact OG1-O 2.87Å; A209-A241 HydrophobicContact CB-CB 4.03Å; I213-A241 HydrophobicContact CD1-CB 4.12Å; N236-A241 WeakPolarHBondContact O-CB 3.42Å; A238-A241 VanDerWaalsContact O-CB 3.26Å; A238-A241 WeakPolarHBondContact O-CB 3.28Å; A238-A241 PolarHBondContact O-N 3.26Å; P239-A241 PolarHBondContact O-N 3.04Å
242Y93.3Very high93.2Very high27 Ų2758.2 Ų58.211%0.10628%0.279CS..BIsolated β-bridgetrans-111.3159.7-176.7-69.8-84.5000111.9N176 G201 R202 E237 P239 K240N176-Y242 HydrophobicContact CB-CD2 4.09Å; N176-Y242 HydrophobicContact CB-CG 4.27Å; G201-Y242 WeakPolarHBondContact O-CA 3.16Å; G201-Y242 WeakPolarHBondContact O-CD1 3.24Å; R202-Y242 HydrophobicContact CG-CD1 4.22Å; R202-Y242 HydrophobicContact CG-CE1 3.96Å; E237-Y242 PolarHBondContact OE2-OH 3.31Å; P239-Y242 PolarHBondContact O-N 3.04Å; K240-Y242 PolarHBondContact O-N 3.42Å
243K93.9Very high93.3Very high81 Ų8156.6 Ų56.635%0.35227%0.274SS..  trans-61.4149.3171.8-64.9-171.3-174176.60110.3A200 G201 T203 Q247 I248 D251A200-K243 HydrophobicContact CB-CB 4.47Å; A200-K243 WeakPolarHBondContact O-CB 3.48Å; A200-K243 VanDerWaalsContact O-CD 3.26Å; A200-K243 WeakPolarHBondContact O-CD 3.5Å; A200-K243 VanDerWaalsContact O-CG 3.31Å; A200-K243 WeakPolarHBondContact O-CG 3.39Å; G201-K243 PolarHBondContact O-N 3.44Å; T203-K243 HydrophobicContact CG2-CB 4.46Å; T203-K243 HydrophobicContact CG2-CG 3.99Å; K243-Q247 HydrophobicContact CD-CG 4.48Å; K243-I248 HydrophobicContact CB-CD1 3.93Å; K243-I248 HydrophobicContact CB-CG1 4.26Å; K243-I248 HydrophobicContact CD-CD1 3.96Å; K243-D251 IonicContact NZ-OD2 2.71Å
244S93.7Very high93.5Very high68 Ų6852.7 Ų52.748%0.47626%0.258SS..  trans-69.5149.1179.176.80000111.5K246 Q247 I248S244-K246 PolarHBondContact O-N 3.49Å; S244-Q247 PolarHBondContact O-N 3.38Å; S244-Q247 VanDerWaalsContact O-N 3.09Å; S244-Q247 PolarHBondContact OG-N 3.19Å; S244-I248 PolarHBondContact O-N 3.13Å; S244-I248 VanDerWaalsContact O-N 3.13Å
245K93.9Very high93.6Very high59 Ų5952 Ų5226%0.25725%0.254SS..Hα-helixtrans-50.2-41172.4-179.2171.368.2-174.70113L175 Q247 I248 L249 I261L175-K245 HydrophobicContact CD1-CB 4.01Å; L175-K245 HydrophobicContact CD1-CD 3.84Å; L175-K245 HydrophobicContact CD1-CG 3.71Å; K245-Q247 PolarHBondContact O-N 2.88Å; K245-I248 PolarHBondContact O-N 2.97Å; K245-L249 HydrophobicContact CG-CD1 3.94Å; K245-L249 HydrophobicContact CG-CG 4.34Å; K245-L249 WeakPolarHBondContact O-CG 3.39Å; K245-L249 PolarHBondContact O-N 2.86Å; K245-I261 HydrophobicContact CD-CD1 3.94Å; K245-I261 HydrophobicContact CD-CG2 4.19Å; K245-I261 HydrophobicContact CG-CD1 4.45Å
246K94.3Very high93.8Very high169 Ų16951.4 Ų51.474%0.73525%0.251SS*.Hα-helixtrans-60.2-45.3179.4-175.7-178.7178-177.30111.8S244 L249 T250S244-K246 PolarHBondContact O-N 3.49Å; K246-L249 PolarHBondContact O-N 3.21Å; K246-T250 PolarHBondContact O-N 3.16Å; K246-T250 PolarHBondContact O-OG1 2.88Å
247Q93.7Very high94.1Very high89 Ų8955.5 Ų55.542%0.41627%0.27SS..Hα-helixtrans-62.6-46.9177.2-173.763.453.200110.7K243 S244 K245 L249 T250 D251K243-Q247 HydrophobicContact CD-CG 4.48Å; S244-Q247 PolarHBondContact O-N 3.38Å; S244-Q247 VanDerWaalsContact O-N 3.09Å; S244-Q247 PolarHBondContact OG-N 3.19Å; K245-Q247 PolarHBondContact O-N 2.88Å; Q247-L249 VanDerWaalsContact C-N 3.35Å; Q247-L249 PolarHBondContact O-N 3.39Å; Q247-T250 WeakPolarHBondContact O-CA 3.36Å; Q247-T250 WeakPolarHBondContact O-CB 3.25Å; Q247-T250 PolarHBondContact O-N 3.27Å; Q247-D251 PolarHBondContact NE2-OD1 3.45Å; Q247-D251 VanDerWaalsContact O-CG 3.3Å; Q247-D251 PolarHBondContact O-N 3.35Å
248I94.1Very high94.3Very high5 Ų557.9 Ų57.93%0.02629%0.285CS..Hα-helixtrans-61.4-42.9-179.6-61.1-52.8000112V173 L175 I182 A200 K243 S244 K245 T250 D251 L252V173-I248 HydrophobicContact CG1-CG2 4.35Å; L175-I248 HydrophobicContact CD2-CB 3.91Å; L175-I248 HydrophobicContact CD2-CG1 3.97Å; L175-I248 HydrophobicContact CD2-CG2 3.78Å; I182-I248 HydrophobicContact CD1-CG2 3.95Å; A200-I248 HydrophobicContact CB-CD1 4Å; A200-I248 HydrophobicContact CB-CG1 3.77Å; A200-I248 WeakPolarHBondContact O-CD1 3.29Å; K243-I248 HydrophobicContact CB-CD1 3.93Å; K243-I248 HydrophobicContact CB-CG1 4.26Å; K243-I248 HydrophobicContact CD-CD1 3.96Å; S244-I248 PolarHBondContact O-N 3.13Å; S244-I248 VanDerWaalsContact O-N 3.13Å; K245-I248 PolarHBondContact O-N 2.97Å; I248-T250 PolarHBondContact O-N 3.29Å; I248-D251 PolarHBondContact O-N 2.96Å; I248-D251 VanDerWaalsContact O-N 3.16Å; I248-L252 HydrophobicContact CG2-CD1 3.65Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 WeakPolarHBondContact O-CB 3.46Å; I248-L252 WeakPolarHBondContact O-CG 3.43Å; I248-L252 PolarHBondContact O-N 3.18Å
249L94.5Very high94.4Very high62 Ų6263.3 Ų63.333%0.32531%0.308SS..Hα-helixtrans-61.7-29.2176.3-70.4170.4000113I182 K245 K246 Q247 V258 I261I182-L249 HydrophobicContact CD1-CD2 3.78Å; I182-L249 HydrophobicContact CD1-CG 4.35Å; K245-L249 HydrophobicContact CG-CD1 3.94Å; K245-L249 HydrophobicContact CG-CG 4.34Å; K245-L249 WeakPolarHBondContact O-CG 3.39Å; K245-L249 PolarHBondContact O-N 2.86Å; K246-L249 PolarHBondContact O-N 3.21Å; Q247-L249 VanDerWaalsContact C-N 3.35Å; Q247-L249 PolarHBondContact O-N 3.39Å; L249-V258 HydrophobicContact CD2-CG1 4.19Å; L249-V258 HydrophobicContact CD2-CG2 3.93Å; L249-I261 HydrophobicContact CD1-CD1 3.98Å; L249-I261 HydrophobicContact CD2-CD1 4.03Å
250T93.6Very high94.6Very high91 Ų9164.9 Ų64.956%0.55832%0.315SS*.Hα-helixtrans-73.8-46.7174.3-540000110.3K246 Q247 I248 L252 H253K246-T250 PolarHBondContact O-N 3.16Å; K246-T250 PolarHBondContact O-OG1 2.88Å; Q247-T250 WeakPolarHBondContact O-CA 3.36Å; Q247-T250 WeakPolarHBondContact O-CB 3.25Å; Q247-T250 PolarHBondContact O-N 3.27Å; I248-T250 PolarHBondContact O-N 3.29Å; T250-L252 VanDerWaalsContact C-N 3.28Å; T250-L252 PolarHBondContact O-N 3.13Å; T250-H253 PolarHBondContact O-N 3.31Å
251D92.2Very high94.8Very high61 Ų6161.2 Ų61.233%0.32630%0.301SS..Hα-helixtrans-67.2-27.3-178.2-61.7-5.7000112.6K243 Q247 I248 H253K243-D251 IonicContact NZ-OD2 2.71Å; Q247-D251 PolarHBondContact NE2-OD1 3.45Å; Q247-D251 VanDerWaalsContact O-CG 3.3Å; Q247-D251 PolarHBondContact O-N 3.35Å; I248-D251 PolarHBondContact O-N 2.96Å; I248-D251 VanDerWaalsContact O-N 3.16Å; D251-H253 VanDerWaalsContact C-N 3.33Å; D251-H253 PolarHBondContact O-N 2.99Å
252L94.4Very high95Very high1 Ų161.2 Ų61.21%0.00530%0.301CS..THydrogen-bonded Turntrans-77.6-13.2-177.7-76.4178000114.6V173 I182 P197 I248 T250 E254 T255 M256 V258V173-L252 HydrophobicContact CG2-CD2 4.27Å; I182-L252 HydrophobicContact CD1-CD1 3.62Å; I182-L252 HydrophobicContact CG2-CD1 4.41Å; P197-L252 VanDerWaalsContact CD-CD2 3.45Å; P197-L252 HydrophobicContact CG-CD2 3.24Å; P197-L252 HydrophobicContact CG-CG 4.36Å; I248-L252 HydrophobicContact CG2-CD1 3.65Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 WeakPolarHBondContact O-CB 3.46Å; I248-L252 WeakPolarHBondContact O-CG 3.43Å; I248-L252 PolarHBondContact O-N 3.18Å; T250-L252 VanDerWaalsContact C-N 3.28Å; T250-L252 PolarHBondContact O-N 3.13Å; L252-E254 PolarHBondContact O-N 2.87Å; L252-E254 VanDerWaalsContact O-N 3.11Å; L252-T255 PolarHBondContact O-N 3.24Å; L252-T255 PolarHBondContact O-OG1 2.93Å; L252-T255 VanDerWaalsContact O-OG1 3.13Å; L252-M256 HydrophobicContact CB-CG 4.16Å; L252-M256 HydrophobicContact CD1-CG 4.38Å; L252-M256 HydrophobicContact CD1-SD 3.94Å; L252-M256 HydrophobicContact CD2-CG 3.9Å; L252-M256 HydrophobicContact CD2-SD 3.68Å; L252-M256 HydrophobicContact CG-CG 4.38Å; L252-M256 HydrophobicContact CG-SD 4.33Å; L252-M256 PolarHBondContact O-N 2.73Å; L252-M256 VanDerWaalsContact O-N 3.11Å; L252-V258 HydrophobicContact CD1-CG2 4.3Å
253H93.5Very high95.2Very high126 Ų12667.7 Ų67.758%0.58333%0.325SS*.THydrogen-bonded Turntrans-53.5-39.5-168.2174.7-96.5000113K187 T250 D251K187-H253 WeakPolarHBondContact CD-O 2.86Å; K187-H253 VanDerWaalsContact CE-O 3.29Å; K187-H253 WeakPolarHBondContact CE-O 3.04Å; K187-H253 PolarHBondContact NZ-O 3.25Å; T250-H253 PolarHBondContact O-N 3.31Å; D251-H253 VanDerWaalsContact C-N 3.33Å; D251-H253 PolarHBondContact O-N 2.99Å
254E94.9Very high95.4Very high96 Ų9664.2 Ų64.245%0.44931%0.31SS..THydrogen-bonded Turntrans-89.6-15-177.1-61.9-170.2130.800113.5N189 W192 L252N189-E254 WeakPolarHBondContact CB-O 3.47Å; W192-E254 HydrophobicContact CH2-CB 3.84Å; W192-E254 HydrophobicContact CH2-CG 4.49Å; W192-E254 WeakPolarHBondContact CH2-OE2 3.38Å; W192-E254 HydrophobicContact CZ2-CB 4.09Å; W192-E254 WeakPolarHBondContact CZ2-OE2 3.36Å; W192-E254 HydrophobicContact CZ3-CB 4.24Å; L252-E254 PolarHBondContact O-N 2.87Å; L252-E254 VanDerWaalsContact O-N 3.11Å
255T95.9Very high95.6Very high3 Ų364.4 Ų64.42%0.01831%0.306CS..THydrogen-bonded Turntrans-95.3-40.4-174.761.80000113.1K187 W192 S195 L252K187-T255 PolarHBondContact N-O 2.9Å; W192-T255 HydrophobicContact CD2-CG2 4.49Å; W192-T255 HydrophobicContact CE3-CG2 3.24Å; W192-T255 HydrophobicContact CH2-CG2 4.42Å; W192-T255 HydrophobicContact CZ3-CG2 3.2Å; S195-T255 VanDerWaalsContact O-CG2 3.3Å; S195-T255 WeakPolarHBondContact O-CG2 3.41Å; L252-T255 PolarHBondContact O-N 3.24Å; L252-T255 PolarHBondContact O-OG1 2.93Å; L252-T255 VanDerWaalsContact O-OG1 3.13Å
256M96.5Very high95.8Very high3 Ų365.2 Ų65.22%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-147.9151.9-17369.5-179.3-71.700111.9M171 V173 I182 V185 L252M171-M256 HydrophobicContact CB-CE 4.08Å; M171-M256 HydrophobicContact SD-CB 3.91Å; M171-M256 HydrophobicContact SD-SD 4.39Å; V173-M256 HydrophobicContact CG2-CE 4.5Å; V173-M256 HydrophobicContact CG2-SD 3.63Å; I182-M256 HydrophobicContact CG2-CE 4.26Å; V185-M256 CarbonylContact O-C 3.56Å; V185-M256 WeakPolarHBondContact O-CA 3.5Å; V185-M256 VanDerWaalsContact O-CB 3.3Å; V185-M256 WeakPolarHBondContact O-CB 3.43Å; L252-M256 HydrophobicContact CB-CG 4.16Å; L252-M256 HydrophobicContact CD1-CG 4.38Å; L252-M256 HydrophobicContact CD1-SD 3.94Å; L252-M256 HydrophobicContact CD2-CG 3.9Å; L252-M256 HydrophobicContact CD2-SD 3.68Å; L252-M256 HydrophobicContact CG-CG 4.38Å; L252-M256 HydrophobicContact CG-SD 4.33Å; L252-M256 PolarHBondContact O-N 2.73Å; L252-M256 VanDerWaalsContact O-N 3.11Å
257E97.4Very high96Very high93 Ų9357.1 Ų57.144%0.43527%0.273SS..EExtended strand (participates in β ladder)trans-85.5119.6164.5-168.5-164.3159.600108.9G184 V185 K259G184-E257 CarbonylContact C-O 3.6Å; G184-E257 WeakPolarHBondContact CA-O 3.41Å; V185-E257 HydrophobicContact CG2-CB 3.87Å; V185-E257 PolarHBondContact N-O 2.91Å; V185-E257 PolarHBondContact O-N 3.48Å; E257-K259 VanDerWaalsContact CD-CE 3.47Å; E257-K259 PolarHBondContact O-N 3.02Å; E257-K259 WeakPolarHBondContact OE1-CE 3.42Å; E257-K259 IonicContact OE1-NZ 3.42Å; E257-K259 PolarHBondContact OE1-NZ 3.32Å; E257-K259 VanDerWaalsContact OE2-CE 3.32Å; E257-K259 WeakPolarHBondContact OE2-CE 3.46Å; E257-K259 IonicContact OE2-NZ 3.82Å; E257-K259 PolarHBondContact OE2-NZ 3.04Å
258V96.9Very high96.1Very high54 Ų5456.7 Ų56.733%0.32727%0.269SS..EExtended strand (participates in β ladder)trans-73.2118.1175.8175.20000109I182 L249 L252 I261I182-V258 HydrophobicContact CG2-CB 4.31Å; I182-V258 HydrophobicContact CG2-CG1 3.69Å; I182-V258 HydrophobicContact CG2-CG2 3.95Å; L249-V258 HydrophobicContact CD2-CG1 4.19Å; L249-V258 HydrophobicContact CD2-CG2 3.93Å; L252-V258 HydrophobicContact CD1-CG2 4.3Å; V258-I261 HydrophobicContact CG1-CG1 4.42Å
259K96.7Very high96.1Very high114 Ų11457 Ų5750%0.49627%0.27SS..EExtended strand (participates in β ladder)trans-93.1-43.5176.5-64.6-64.6179.5-175.50111.2I183 E257I183-K259 PolarHBondContact O-N 3.47Å; E257-K259 VanDerWaalsContact CD-CE 3.47Å; E257-K259 PolarHBondContact O-N 3.02Å; E257-K259 WeakPolarHBondContact OE1-CE 3.42Å; E257-K259 IonicContact OE1-NZ 3.42Å; E257-K259 PolarHBondContact OE1-NZ 3.32Å; E257-K259 VanDerWaalsContact OE2-CE 3.32Å; E257-K259 WeakPolarHBondContact OE2-CE 3.46Å; E257-K259 IonicContact OE2-NZ 3.82Å; E257-K259 PolarHBondContact OE2-NZ 3.04Å
260E96.8Very high95.8Very high39 Ų3956.5 Ų56.518%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-155.4157.6-176.9-178.7156.8-165.900112.4G30 S31 I182 I183 I262G30-E260 VanDerWaalsContact C-OE1 3.31Å; G30-E260 WeakPolarHBondContact CA-OE1 3.31Å; S31-E260 VanDerWaalsContact CB-OE1 3.31Å; S31-E260 WeakPolarHBondContact CB-OE1 3.38Å; S31-E260 PolarHBondContact N-OE1 2.98Å; S31-E260 PolarHBondContact N-OE2 3.21Å; S31-E260 PolarHBondContact OG-OE1 3.49Å; S31-E260 PolarHBondContact OG-OE2 2.88Å; I182-E260 WeakPolarHBondContact CA-O 3.37Å; I183-E260 PolarHBondContact N-O 3.27Å; I183-E260 PolarHBondContact O-N 3.34Å; E260-I262 HydrophobicContact CG-CG2 4.17Å
261I97.6Very high95.9Very high45 Ų4554.8 Ų54.823%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-118.9106.7168.8-49.4-175.3000108.2L175 S181 I182 K245 L249 V258L175-I261 HydrophobicContact CD1-CG2 4.42Å; S181-I261 WeakPolarHBondContact O-CA 3.47Å; I182-I261 HydrophobicContact CG1-CG1 4.26Å; I182-I261 HydrophobicContact CG1-CG2 4.46Å; K245-I261 HydrophobicContact CD-CD1 3.94Å; K245-I261 HydrophobicContact CD-CG2 4.19Å; K245-I261 HydrophobicContact CG-CD1 4.45Å; L249-I261 HydrophobicContact CD1-CD1 3.98Å; L249-I261 HydrophobicContact CD2-CD1 4.03Å; V258-I261 HydrophobicContact CG1-CG1 4.42Å
262I98.1Very high96.1Very high0 Ų054.5 Ų54.50%026%0.264CS..EExtended strand (participates in β ladder)trans-84.2135.5178.559.6174.9000109.8N28 E29 Y35 V37 G180 S181 I183 E260N28-I262 HydrophobicContact CB-CB 3.84Å; N28-I262 HydrophobicContact CB-CD1 3.92Å; N28-I262 HydrophobicContact CB-CG1 3.95Å; E29-I262 WeakPolarHBondContact O-CA 3.25Å; Y35-I262 HydrophobicContact CD1-CD1 4.18Å; Y35-I262 HydrophobicContact CD1-CG2 4.49Å; Y35-I262 HydrophobicContact CD2-CB 4.45Å; Y35-I262 HydrophobicContact CD2-CG2 3.73Å; Y35-I262 HydrophobicContact CE2-CG2 3.82Å; Y35-I262 HydrophobicContact CG-CD1 3.92Å; Y35-I262 HydrophobicContact CG-CG2 4.1Å; V37-I262 HydrophobicContact CG2-CD1 3.76Å; G180-I262 WeakPolarHBondContact CA-O 3.46Å; S181-I262 PolarHBondContact N-O 2.88Å; S181-I262 VanDerWaalsContact N-O 3.08Å; S181-I262 VanDerWaalsContact O-CG1 3.3Å; S181-I262 WeakPolarHBondContact O-CG1 3.36Å; S181-I262 PolarHBondContact O-N 3.29Å; I183-I262 HydrophobicContact CD1-CD1 4.06Å; I183-I262 HydrophobicContact CG1-CD1 4.1Å; I183-I262 HydrophobicContact CG1-CG1 4.33Å; I183-I262 HydrophobicContact CG1-CG2 4.17Å; E260-I262 HydrophobicContact CG-CG2 4.17Å
263R97.5Very high96.2Very high163 Ų16357.4 Ų57.462%0.61528%0.278SS*.EExtended strand (participates in β ladder)trans-108.8138.7-172.8-64.6-177.4-173.3169.44111.6N28 E29 L265N28-R263 CarbonylContact C-O 3.51Å; N28-R263 WeakPolarHBondContact CA-O 3.31Å; N28-R263 WeakPolarHBondContact CB-O 3.46Å; N28-R263 VanDerWaalsContact OD1-C 3.29Å; E29-R263 PolarHBondContact N-O 2.91Å; E29-R263 PolarHBondContact O-N 3.28Å; R263-L265 PolarHBondContact O-N 3.31Å
264P97.9Very high96.4Very high7 Ų753.4 Ų53.45%0.04526%0.261CS..EExtended strand (participates in β ladder)trans-76.8126-174.429.2-27.9000110.1E26 N28 M177 K178 V225E26-P264 HydrophobicContact CG-CB 4.47Å; N28-P264 WeakPolarHBondContact OD1-CA 3.32Å; N28-P264 WeakPolarHBondContact OD1-CB 3.35Å; N28-P264 VanDerWaalsContact OD1-N 3.12Å; M177-P264 VanDerWaalsContact O-CG 3.22Å; M177-P264 WeakPolarHBondContact O-CG 3.31Å; K178-P264 VanDerWaalsContact O-CD 3.23Å; K178-P264 WeakPolarHBondContact O-CD 3.41Å; K178-P264 WeakPolarHBondContact O-CG 3.39Å; V225-P264 HydrophobicContact CG1-CB 3.97Å; V225-P264 HydrophobicContact CG1-CG 4.16Å; V225-P264 HydrophobicContact CG2-CG 3.98Å
265L97.9Very high96.5Very high72 Ų7250.8 Ų50.838%0.37725%0.249SC..EExtended strand (participates in β ladder)trans-89-36.6164.6-63.9178.5000110.6V27 E29 F34 W226 R263V27-L265 PolarHBondContact O-N 3.46Å; E29-L265 HydrophobicContact CB-CD1 3.94Å; E29-L265 HydrophobicContact CB-CD2 4.31Å; E29-L265 HydrophobicContact CB-CG 3.98Å; F34-L265 HydrophobicContact CD1-CD1 3.85Å; F34-L265 HydrophobicContact CE1-CD1 3.4Å; F34-L265 VanDerWaalsContact CE1-CD1 3.4Å; F34-L265 HydrophobicContact CZ-CD1 4.45Å; W226-L265 WeakPolarHBondContact CB-O 3.35Å; W226-L265 PolarHBondContact N-O 3.02Å; R263-L265 PolarHBondContact O-N 3.31Å
266Y98Very high96.5Very high76 Ų7653.9 Ų53.930%0.29826%0.264SS..EExtended strand (participates in β ladder)trans-129.2135.6176.7175.3-85000109.7E26 V27 W226 F268E26-Y266 VanDerWaalsContact CA-O 3.23Å; E26-Y266 WeakPolarHBondContact CA-O 3.49Å; V27-Y266 PolarHBondContact N-O 3.45Å; V27-Y266 PolarHBondContact O-N 3.37Å; V27-Y266 VanDerWaalsContact O-N 3.12Å; W226-Y266 HydrophobicContact CD2-CD2 4.01Å; W226-Y266 HydrophobicContact CD2-CE2 4.26Å; W226-Y266 AromaticContact CE3-CD2 3.22Å; W226-Y266 HydrophobicContact CE3-CD2 3.22Å; W226-Y266 AromaticContact CE3-CE2 3.2Å; W226-Y266 HydrophobicContact CE3-CE2 3.2Å; W226-Y266 HydrophobicContact CE3-CG 4.39Å; W226-Y266 HydrophobicContact CH2-CE2 4.11Å; W226-Y266 AromaticContact CZ3-CD2 3.72Å; W226-Y266 HydrophobicContact CZ3-CD2 3.72Å; W226-Y266 AromaticContact CZ3-CE2 3.13Å; W226-Y266 HydrophobicContact CZ3-CE2 3.13Å; W226-Y266 CarbonylContact O-C 3.5Å; W226-Y266 VanDerWaalsContact O-CA 3.3Å; W226-Y266 WeakPolarHBondContact O-CA 3.36Å; Y266-F268 HydrophobicContact CE1-CB 3.6Å
267N97.5Very high96.5Very high0 Ų057.6 Ų57.60%028%0.282CS..EExtended strand (participates in β ladder)trans-131.2131.1170.7175.7-78.1000111.2E26 M177 M222 V225 W226 T227E26-N267 HydrophobicContact CG-CB 4.02Å; E26-N267 VanDerWaalsContact CG-ND2 3.3Å; E26-N267 WeakPolarHBondContact CG-ND2 3.26Å; E26-N267 PolarHBondContact OE1-ND2 2.85Å; M177-N267 WeakPolarHBondContact CE-OD1 3.47Å; M222-N267 HydrophobicContact CE-CB 4.49Å; V225-N267 HydrophobicContact CG1-CB 3.94Å; W226-N267 PolarHBondContact O-N 3.44Å; T227-N267 WeakPolarHBondContact CA-O 3.34Å; T227-N267 WeakPolarHBondContact CB-O 3.41Å; T227-N267 PolarHBondContact OG1-O 2.99Å
268F96.5Very high96.5Very high79 Ų7954.8 Ų54.835%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-122.4113.6166.7-177.4-101.6000110.1L18 F24 I25 Y266L18-F268 HydrophobicContact CD2-CD1 3.55Å; L18-F268 HydrophobicContact CD2-CE1 3.68Å; F24-F268 CarbonylContact C-O 3.45Å; F24-F268 WeakPolarHBondContact CA-O 3.46Å; F24-F268 WeakPolarHBondContact CB-O 3.31Å; I25-F268 PolarHBondContact N-O 2.96Å; I25-F268 PolarHBondContact O-N 2.86Å; Y266-F268 HydrophobicContact CE1-CB 3.6Å
269K94.6Very high96.4Very high11 Ų1154.9 Ų54.95%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-94.4134.3175-16279.6-172.5-1580110.2G21 N22 F24 M177 S229 E237G21-K269 WeakPolarHBondContact O-CE 3.46Å; N22-K269 PolarHBondContact O-NZ 3.18Å; F24-K269 HydrophobicContact CB-CD 4.14Å; M177-K269 HydrophobicContact CE-CB 4.15Å; M177-K269 HydrophobicContact CG-CD 4.38Å; M177-K269 HydrophobicContact SD-CB 4.45Å; M177-K269 HydrophobicContact SD-CD 4.17Å; M177-K269 HydrophobicContact SD-CG 4.46Å; S229-K269 PolarHBondContact OG-N 3.11Å; S229-K269 PolarHBondContact OG-O 3.15Å; E237-K269 HydrophobicContact CB-CD 4.14Å; E237-K269 HydrophobicContact CB-CG 4.2Å; E237-K269 HydrophobicContact CG-CD 4.41Å; E237-K269 HydrophobicContact CG-CG 4.3Å; E237-K269 WeakPolarHBondContact OE2-CE 3.47Å; E237-K269 IonicContact OE2-NZ 3.48Å; E237-K269 PolarHBondContact OE2-NZ 3.12Å
270G88.3Confident96.4Very high53 Ų5349.5 Ų49.555%0.54624%0.244SC..  trans-77.10172.700000114.8G19 G20 H23G19-G270 WeakPolarHBondContact O-CA 3.35Å; G20-G270 WeakPolarHBondContact CA-OXT 3.47Å; H23-G270 PolarHBondContact O-N 2.81Å

Retrieved 270 of 270 residues in 479.4 ms (Link to these results)

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