G4VGT9_SCHMA Loading...

Multifunctional methyltransferase subunit TRM112-like protein

AlphaFold DB , UniProt , Accession G4VGT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 125 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
1M96.5Very high96.3Very high4 Ų432.5 Ų32.52%0.0217%0.165CC..  0114.60-169.8-165.566.700107.7L5 H6 L9 L25 D95 V96 L101 I112 G115 P117M1-L5 HydrophobicContact CG-CB 4.21Å; M1-L5 HydrophobicContact CG-CD2 3.75Å; M1-L5 HydrophobicContact CG-CG 4.04Å; M1-H6 HydrophobicContact CE-CB 3.68Å; M1-L9 HydrophobicContact SD-CD1 3.68Å; M1-L25 HydrophobicContact CE-CD1 4.49Å; M1-D95 VanDerWaalsContact C-OD1 3.23Å; M1-D95 WeakPolarHBondContact CA-OD1 3.17Å; M1-D95 PolarHBondContact N-OD1 2.83Å; M1-V96 HydrophobicContact CB-CB 4.43Å; M1-V96 HydrophobicContact CE-CG2 4.42Å; M1-V96 PolarHBondContact N-O 3.27Å; M1-V96 PolarHBondContact O-N 3.18Å; M1-L101 HydrophobicContact CE-CD2 4.1Å; M1-L101 HydrophobicContact SD-CD1 4.1Å; M1-I112 HydrophobicContact CB-CG2 4.28Å; M1-I112 HydrophobicContact CE-CD1 3.83Å; M1-I112 HydrophobicContact SD-CD1 4.24Å; M1-G115 VanDerWaalsContact CA-O 3.23Å; M1-G115 WeakPolarHBondContact CA-O 3.42Å; M1-G115 VanDerWaalsContact CB-O 3.3Å; M1-G115 WeakPolarHBondContact CB-O 3.27Å; M1-G115 VanDerWaalsContact N-CA 3.31Å; M1-G115 PolarHBondContact N-O 2.97Å; M1-P117 HydrophobicContact CG-CG 4.37Å; M1-P117 HydrophobicContact SD-CB 4.14Å; M1-P117 HydrophobicContact SD-CG 3.89Å
2K96.9Very high96Very high59 Ų5942.3 Ų42.326%0.25720%0.198SC..BIsolated β-bridgetrans-71.7151.5-179.5-62.6-173.9-179.3-57.90111.7F4 L5 H6 L92 V94 D95K2-F4 PolarHBondContact O-N 2.85Å; K2-L5 WeakPolarHBondContact O-CB 3.37Å; K2-L5 PolarHBondContact O-N 2.81Å; K2-H6 PolarHBondContact O-N 3.03Å; K2-H6 VanDerWaalsContact O-N 3.08Å; K2-L92 WeakPolarHBondContact CD-O 3.43Å; K2-L92 WeakPolarHBondContact CE-O 3.46Å; K2-L92 PolarHBondContact NZ-O 3.45Å; K2-V94 WeakPolarHBondContact CA-O 3.45Å; K2-D95 WeakPolarHBondContact CG-OD1 3.49Å; K2-D95 PolarHBondContact N-OD1 2.85Å; K2-D95 IonicContact NZ-OD2 2.93Å; K2-D95 PolarHBondContact NZ-OD2 3.41Å
3L96.5Very high95.4Very high2 Ų246.2 Ų46.21%0.0123%0.226CC..Hα-helixtrans-63.5-30176.4-8463.7000112.3L5 H6 N7 V57 I61 I66 A90 V94L3-L5 VanDerWaalsContact C-N 3.26Å; L3-L5 PolarHBondContact O-N 3.29Å; L3-H6 WeakPolarHBondContact O-CB 3.42Å; L3-H6 PolarHBondContact O-N 3.35Å; L3-N7 WeakPolarHBondContact O-CB 3.39Å; L3-N7 PolarHBondContact O-N 3.21Å; L3-V57 HydrophobicContact CD2-CG1 3.94Å; L3-V57 HydrophobicContact CG-CG1 4.06Å; L3-I61 HydrophobicContact CD1-CD1 3.84Å; L3-I61 HydrophobicContact CD2-CD1 4.07Å; L3-I61 HydrophobicContact CG-CD1 4.29Å; L3-I66 HydrophobicContact CD1-CD1 4.44Å; L3-I66 HydrophobicContact CD2-CD1 3.39Å; L3-A90 WeakPolarHBondContact CB-O 3.49Å; L3-V94 HydrophobicContact CD1-CB 4.14Å; L3-V94 HydrophobicContact CD1-CG1 3.99Å
4F97.7Very high94.9Very high49 Ų4943.1 Ų43.122%0.21521%0.212CC..Hα-helixtrans-56.2-43.5170.1177.2-101.7000111.8K2 N7 I8 L45 V49 L91K2-F4 PolarHBondContact O-N 2.85Å; F4-N7 PolarHBondContact O-N 2.91Å; F4-I8 HydrophobicContact CE1-CD1 4.16Å; F4-I8 HydrophobicContact CZ-CG2 4.36Å; F4-I8 PolarHBondContact O-N 3.39Å; F4-L45 HydrophobicContact CD2-CD1 4.4Å; F4-L45 HydrophobicContact CD2-CD2 4.29Å; F4-L45 HydrophobicContact CE2-CB 4.36Å; F4-L45 HydrophobicContact CE2-CD2 3.74Å; F4-L45 HydrophobicContact CE2-CG 4.46Å; F4-L45 HydrophobicContact CZ-CD2 3.91Å; F4-V49 HydrophobicContact CD2-CG1 3.65Å; F4-V49 HydrophobicContact CE2-CG1 3.83Å; F4-L91 HydrophobicContact CB-CB 4.3Å; F4-L91 HydrophobicContact CB-CD2 4.49Å; F4-L91 WeakPolarHBondContact CB-O 3.19Å; F4-L91 PolarHBondContact N-O 2.99Å
5L96.9Very high94.3Very high63 Ų6350.9 Ų50.933%0.3324%0.244SC..Hα-helixtrans-67.8-43.3177.5177.756.4000111.1M1 K2 L3 N7 I8 L9M1-L5 HydrophobicContact CG-CB 4.21Å; M1-L5 HydrophobicContact CG-CD2 3.75Å; M1-L5 HydrophobicContact CG-CG 4.04Å; K2-L5 WeakPolarHBondContact O-CB 3.37Å; K2-L5 PolarHBondContact O-N 2.81Å; L3-L5 VanDerWaalsContact C-N 3.26Å; L3-L5 PolarHBondContact O-N 3.29Å; L5-N7 PolarHBondContact O-N 2.69Å; L5-I8 HydrophobicContact CD1-CD1 3.94Å; L5-I8 HydrophobicContact CD1-CG1 4Å; L5-I8 WeakPolarHBondContact O-CG1 3.45Å; L5-I8 PolarHBondContact O-N 2.91Å; L5-I8 VanDerWaalsContact O-N 3.17Å; L5-L9 HydrophobicContact CD1-CD1 4.32Å; L5-L9 HydrophobicContact CD1-CD2 4.19Å; L5-L9 HydrophobicContact CD1-CG 3.99Å; L5-L9 HydrophobicContact CG-CD1 4.02Å; L5-L9 HydrophobicContact CG-CG 4.21Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 3.35Å; L5-L9 VanDerWaalsContact O-N 3.12Å
6H97.7Very high93.9Very high3 Ų352.9 Ų52.91%0.01426%0.264CS..Hα-helixtrans-52-45.9172.8170.8-94.2000112.2M1 K2 L3 I8 L9 L23 V57M1-H6 HydrophobicContact CE-CB 3.68Å; K2-H6 PolarHBondContact O-N 3.03Å; K2-H6 VanDerWaalsContact O-N 3.08Å; L3-H6 WeakPolarHBondContact O-CB 3.42Å; L3-H6 PolarHBondContact O-N 3.35Å; H6-I8 PolarHBondContact O-N 3.11Å; H6-L9 PolarHBondContact O-N 3.4Å; H6-L23 PolarHBondContact NE2-O 2.82Å; H6-V57 VanDerWaalsContact CE1-CG2 3.48Å; H6-V57 WeakPolarHBondContact CE1-CG2 3.25Å
7N97.7Very high93.7Very high7 Ų750.5 Ų50.54%0.03725%0.254CS..Hα-helixtrans-68.1-14.9-175.7-162.6-102.6000114.1L3 F4 L5 Y21 V49 E50 V53 V54L3-N7 WeakPolarHBondContact O-CB 3.39Å; L3-N7 PolarHBondContact O-N 3.21Å; F4-N7 PolarHBondContact O-N 2.91Å; L5-N7 PolarHBondContact O-N 2.69Å; N7-Y21 PolarHBondContact ND2-OH 3.04Å; N7-Y21 VanDerWaalsContact ND2-OH 3.13Å; N7-Y21 WeakPolarHBondContact O-CE2 3.33Å; N7-Y21 PolarHBondContact O-OH 3.17Å; N7-V49 WeakPolarHBondContact OD1-CA 3.25Å; N7-V49 WeakPolarHBondContact OD1-CB 3.44Å; N7-E50 PolarHBondContact ND2-O 2.83Å; N7-E50 VanDerWaalsContact ND2-O 3.11Å; N7-E50 PolarHBondContact OD1-N 3.34Å; N7-V53 WeakPolarHBondContact ND2-CB 3.43Å; N7-V54 HydrophobicContact CB-CG2 4.38Å; N7-V54 WeakPolarHBondContact ND2-CG2 3.38Å
8I95.4Very high93.5Very high87 Ų8757.6 Ų57.645%0.44628%0.282SS..Hα-helixtrans-107.3-12.117664.5172.5000113.3F4 L5 H6F4-I8 HydrophobicContact CE1-CD1 4.16Å; F4-I8 HydrophobicContact CZ-CG2 4.36Å; F4-I8 PolarHBondContact O-N 3.39Å; L5-I8 HydrophobicContact CD1-CD1 3.94Å; L5-I8 HydrophobicContact CD1-CG1 4Å; L5-I8 WeakPolarHBondContact O-CG1 3.45Å; L5-I8 PolarHBondContact O-N 2.91Å; L5-I8 VanDerWaalsContact O-N 3.17Å; H6-I8 PolarHBondContact O-N 3.11Å
9L96Very high93.5Very high30 Ų3058.6 Ų58.616%0.15729%0.292CS..  trans-74.9135.1-178.6-78.2171.8000111.5M1 L5 H6 Y21 L23 L101 P117M1-L9 HydrophobicContact SD-CD1 3.68Å; L5-L9 HydrophobicContact CD1-CD1 4.32Å; L5-L9 HydrophobicContact CD1-CD2 4.19Å; L5-L9 HydrophobicContact CD1-CG 3.99Å; L5-L9 HydrophobicContact CG-CD1 4.02Å; L5-L9 HydrophobicContact CG-CG 4.21Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.48Å; L5-L9 PolarHBondContact O-N 3.35Å; L5-L9 VanDerWaalsContact O-N 3.12Å; H6-L9 PolarHBondContact O-N 3.4Å; L9-Y21 WeakPolarHBondContact O-CD2 3.28Å; L9-L23 HydrophobicContact CB-CD1 3.94Å; L9-L101 HydrophobicContact CD1-CD1 3.78Å; L9-P117 HydrophobicContact CD1-CB 4.49Å; L9-P117 HydrophobicContact CD1-CG 4.04Å
10T94.7Very high93.6Very high53 Ų5355.7 Ų55.733%0.32528%0.277SS..  trans-134.5147.2176.7-179.70000111.5R12 G20T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 HydrophobicContact CG2-CB 4.26Å; T10-R12 WeakPolarHBondContact OG1-CG 3.37Å; T10-R12 PolarHBondContact OG1-N 2.83Å; T10-G20 CarbonylContact C-O 3.52Å; T10-G20 VanDerWaalsContact CA-O 3.27Å; T10-G20 WeakPolarHBondContact CA-O 3.5Å; T10-G20 PolarHBondContact OG1-O 2.98Å
11S93.5Very high93.8Very high0 Ų055.4 Ų55.40%027%0.273CS..  trans-9116.4172.662.30000113.6V13 L14 G20 C103S11-V13 PolarHBondContact O-N 3.01Å; S11-L14 WeakPolarHBondContact O-CB 3.48Å; S11-L14 WeakPolarHBondContact O-CG 3.32Å; S11-L14 PolarHBondContact O-N 2.98Å; S11-G20 PolarHBondContact N-O 3.17Å; S11-G20 VanDerWaalsContact OG-CA 3.27Å; S11-G20 WeakPolarHBondContact OG-CA 3.32Å; S11-G20 PolarHBondContact OG-O 3.09Å; S11-C103 PolarHBondContact OG-SG 3.25Å
12R92.3Very high93.8Very high150 Ų15057.8 Ų57.857%0.56629%0.289SS*.THydrogen-bonded Turntrans-59.9-11.5176.9-78.4179.7-167.7-153.71.6114.7T10 L14 V17 K18 V19T10-R12 VanDerWaalsContact C-N 3.33Å; T10-R12 HydrophobicContact CG2-CB 4.26Å; T10-R12 WeakPolarHBondContact OG1-CG 3.37Å; T10-R12 PolarHBondContact OG1-N 2.83Å; R12-L14 PolarHBondContact O-N 3.28Å; R12-V17 HydrophobicContact CG-CG1 4.43Å; R12-K18 PolarHBondContact NE-O 3.2Å; R12-V19 WeakPolarHBondContact CG-O 3.44Å; R12-V19 PolarHBondContact NE-O 2.81Å; R12-V19 PolarHBondContact NH2-O 2.83Å
13V88.3Confident93.8Very high93 Ų9355 Ų5556%0.56428%0.278SS*.THydrogen-bonded Turntrans-64.4-23.7170.362.20000112.3S11 V121S11-V13 PolarHBondContact O-N 3.01Å; V13-V121 HydrophobicContact CG1-CG2 3.79Å; V13-V121 HydrophobicContact CG2-CG2 4.31Å
14L87.9Confident93.9Very high4 Ų461.6 Ų61.62%0.02131%0.306CS..SBendtrans-74.1131.4174.5-55.3-178.7000110.2S11 R12 S16 V17 C103 R108 F110 V121S11-L14 WeakPolarHBondContact O-CB 3.48Å; S11-L14 WeakPolarHBondContact O-CG 3.32Å; S11-L14 PolarHBondContact O-N 2.98Å; R12-L14 PolarHBondContact O-N 3.28Å; L14-S16 PolarHBondContact O-N 2.77Å; L14-V17 HydrophobicContact CB-CB 4.06Å; L14-V17 HydrophobicContact CB-CG2 3.64Å; L14-V17 HydrophobicContact CD1-CG2 3.89Å; L14-V17 HydrophobicContact CG-CG2 4.28Å; L14-V17 PolarHBondContact O-N 2.85Å; L14-V17 VanDerWaalsContact O-N 3.09Å; L14-C103 HydrophobicContact CD1-CB 4.44Å; L14-R108 HydrophobicContact CD1-CB 4.09Å; L14-R108 HydrophobicContact CD1-CG 4.45Å; L14-F110 HydrophobicContact CD1-CZ 4.1Å; L14-F110 HydrophobicContact CD2-CZ 4.42Å; L14-F110 HydrophobicContact CG-CZ 4.41Å; L14-V121 HydrophobicContact CD2-CB 4.39Å; L14-V121 HydrophobicContact CD2-CG1 3.8Å; L14-V121 HydrophobicContact CD2-CG2 3.62Å
15K86.8Confident93.9Very high160 Ų16059.9 Ų59.970%0.69630%0.299SS*.THydrogen-bonded Turntrans-60.9-32.2-173.3-69.8172.3-179.7164.10113.4V17 E123K15-V17 VanDerWaalsContact C-N 3.34Å; K15-E123 PolarHBondContact NZ-O 3.29Å
16S87.8Confident93.9Very high82 Ų8262 Ų6257%0.57331%0.305SS*.THydrogen-bonded Turntrans-87.32.8-178.266.30000114.4L14 T106L14-S16 PolarHBondContact O-N 2.77Å; S16-T106 VanDerWaalsContact OG-CG2 3.25Å; S16-T106 WeakPolarHBondContact OG-CG2 3.23Å
17V89.5Confident93.9Very high13 Ų1363.7 Ų63.78%0.07932%0.32CS..  trans-104.8129-174.8171.30000110.7R12 L14 K15 G20 E105 T106R12-V17 HydrophobicContact CG-CG1 4.43Å; L14-V17 HydrophobicContact CB-CB 4.06Å; L14-V17 HydrophobicContact CB-CG2 3.64Å; L14-V17 HydrophobicContact CD1-CG2 3.89Å; L14-V17 HydrophobicContact CG-CG2 4.28Å; L14-V17 PolarHBondContact O-N 2.85Å; L14-V17 VanDerWaalsContact O-N 3.09Å; K15-V17 VanDerWaalsContact C-N 3.34Å; V17-G20 VanDerWaalsContact CG1-N 3.3Å; V17-E105 WeakPolarHBondContact CG1-OE1 3.35Å; V17-E105 HydrophobicContact CG2-CB 4.32Å; V17-T106 HydrophobicContact CG2-CG2 3.6Å
18K91.6Very high93.8Very high177 Ų17769.4 Ų69.477%0.7735%0.351SS*.SBendtrans-98.3-43.7177.8-65-176.9-179.1179.10112.6R12 E105R12-K18 PolarHBondContact NE-O 3.2Å; K18-E105 PolarHBondContact N-OE1 3Å; K18-E105 PolarHBondContact N-OE2 2.89Å
19V93.3Very high93.9Very high77 Ų7767 Ų6747%0.46734%0.344SS..SBendtrans-102.6-51.7-175-176.10000110.6R12 Y21 E105R12-V19 WeakPolarHBondContact CG-O 3.44Å; R12-V19 PolarHBondContact NE-O 2.81Å; R12-V19 PolarHBondContact NH2-O 2.83Å; V19-Y21 PolarHBondContact O-N 2.76Å; V19-Y21 VanDerWaalsContact O-N 3.08Å; V19-E105 WeakPolarHBondContact CA-OE1 3.46Å; V19-E105 WeakPolarHBondContact CB-OE1 3.22Å; V19-E105 PolarHBondContact N-OE1 3.21Å
20G94.3Very high94Very high0 Ų067.3 Ų67.30%035%0.346CS..  trans59.719.8172.700000115.7T10 S11 V17 E105T10-G20 CarbonylContact C-O 3.52Å; T10-G20 VanDerWaalsContact CA-O 3.27Å; T10-G20 WeakPolarHBondContact CA-O 3.5Å; T10-G20 PolarHBondContact OG1-O 2.98Å; S11-G20 PolarHBondContact N-O 3.17Å; S11-G20 VanDerWaalsContact OG-CA 3.27Å; S11-G20 WeakPolarHBondContact OG-CA 3.32Å; S11-G20 PolarHBondContact OG-O 3.09Å; V17-G20 VanDerWaalsContact CG1-N 3.3Å; G20-E105 PolarHBondContact N-OE1 3.25Å
21Y97.6Very high94.2Very high50 Ų5070.5 Ų70.520%0.19636%0.355CS..  trans-153.6145.5-174.9179-91.6000110.3N7 L9 V19 E50 V53N7-Y21 PolarHBondContact ND2-OH 3.04Å; N7-Y21 VanDerWaalsContact ND2-OH 3.13Å; N7-Y21 WeakPolarHBondContact O-CE2 3.33Å; N7-Y21 PolarHBondContact O-OH 3.17Å; L9-Y21 WeakPolarHBondContact O-CD2 3.28Å; V19-Y21 PolarHBondContact O-N 2.76Å; V19-Y21 VanDerWaalsContact O-N 3.08Å; Y21-E50 HydrophobicContact CE1-CB 4.29Å; Y21-E50 HydrophobicContact CE1-CG 3.93Å; Y21-E50 WeakPolarHBondContact OH-CB 3.3Å; Y21-V53 HydrophobicContact CE1-CG2 4Å; Y21-V53 WeakPolarHBondContact OH-CB 3.44Å; Y21-V53 WeakPolarHBondContact OH-CG1 3.4Å; Y21-V53 WeakPolarHBondContact OH-CG2 3.32Å
22P97.4Very high94.4Very high55 Ų5573.5 Ų73.536%0.35737%0.373SS..SBendcis-70.7149.1-12.230.8-34.8000111.6V53 P104P22-V53 HydrophobicContact CB-CG1 3.68Å; P22-V53 HydrophobicContact CB-CG2 4.12Å; P22-V53 HydrophobicContact CG-CG1 4.29Å; P22-V53 HydrophobicContact CG-CG2 4.06Å; P22-P104 WeakPolarHBondContact O-CG 3.27Å
23L97.6Very high94.5Very high1 Ų167.8 Ų67.81%0.00536%0.356CS..PPolyproline II helixtrans-72128.3167-60.7173.3000108.1H6 L9 L25 L101 V102 F110 M119H6-L23 PolarHBondContact NE2-O 2.82Å; L9-L23 HydrophobicContact CB-CD1 3.94Å; L23-L25 PolarHBondContact O-N 2.82Å; L23-L101 HydrophobicContact CB-CB 4.14Å; L23-L101 HydrophobicContact CB-CD2 4.46Å; L23-L101 HydrophobicContact CD1-CB 4.18Å; L23-L101 HydrophobicContact CD1-CD1 4.01Å; L23-V102 CarbonylContact C-O 3.6Å; L23-V102 WeakPolarHBondContact CA-O 3.31Å; L23-F110 HydrophobicContact CD2-CE2 4.5Å; L23-M119 HydrophobicContact CD1-CE 3.99Å
24K97.4Very high94.8Very high139 Ų13969.6 Ų69.660%0.60437%0.368SS*.EExtended strand (participates in β ladder)trans-66.2135.3175.7-56.9-178.7176.7179.60108.8L101 V102K24-L101 CarbonylContact O-C 3.44Å; K24-L101 VanDerWaalsContact O-CA 3.32Å; K24-L101 WeakPolarHBondContact O-CA 3.24Å; K24-V102 HydrophobicContact CB-CB 4.16Å; K24-V102 PolarHBondContact N-O 3.16Å; K24-V102 PolarHBondContact O-N 3.19Å
25L98.1Very high95.2Very high14 Ų1471.7 Ų71.77%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-101.9127.4179.8177.764.3000110M1 L23 A27 V57 I61 V96 L101 I112M1-L25 HydrophobicContact CE-CD1 4.49Å; L23-L25 PolarHBondContact O-N 2.82Å; L25-A27 HydrophobicContact CD2-CB 4.46Å; L25-A27 HydrophobicContact CG-CB 4.37Å; L25-V57 HydrophobicContact CD2-CG1 3.67Å; L25-I61 HydrophobicContact CD2-CD1 4.39Å; L25-V96 HydrophobicContact CD1-CG1 4.27Å; L25-V96 HydrophobicContact CD1-CG2 4.24Å; L25-V96 HydrophobicContact CD2-CG2 3.89Å; L25-L101 HydrophobicContact CD1-CD2 3.69Å; L25-I112 HydrophobicContact CD1-CD1 3.87Å
26K97.2Very high95.7Very high106 Ų10671.2 Ų71.246%0.46139%0.386SS..EExtended strand (participates in β ladder)trans-113.394.7165-62.1175.8-174.1166.30107.6G99 V100 V102 E109K26-G99 CarbonylContact O-C 3.52Å; K26-G99 WeakPolarHBondContact O-CA 3.26Å; K26-V100 HydrophobicContact CB-CB 4.43Å; K26-V100 PolarHBondContact N-O 3.18Å; K26-V100 PolarHBondContact O-N 2.81Å; K26-V102 HydrophobicContact CD-CG2 4.29Å; K26-E109 IonicContact NZ-OE1 3.85Å; K26-E109 PolarHBondContact NZ-OE1 3.35Å
27A97.3Very high96.2Very high39 Ų3971 Ų7132%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-83.3126.7-18000000110.6L25 L30 V96L25-A27 HydrophobicContact CD2-CB 4.46Å; L25-A27 HydrophobicContact CG-CB 4.37Å; A27-L30 HydrophobicContact CB-CD2 4.16Å; A27-L30 HydrophobicContact CB-CG 4.36Å; A27-V96 HydrophobicContact CB-CG1 4.05Å
28N96.6Very high96.6Very high127 Ų12773.8 Ų73.868%0.67939%0.387SS*.EExtended strand (participates in β ladder)trans-105.8-30.9178.2-64.8-21.1000112.1E98N28-E98 HydrophobicContact CB-CB 4.3Å; N28-E98 PolarHBondContact N-O 2.88Å
29A97.7Very high96.9Very high38 Ų3868.1 Ų68.131%0.31437%0.368SS..EExtended strand (participates in β ladder)trans-141.6132.5174.400000110.1M97 E98A29-M97 HydrophobicContact CB-CB 4.23Å; A29-M97 PolarHBondContact O-N 3.2Å; A29-E98 HydrophobicContact CB-CB 3.83Å; A29-E98 HydrophobicContact CB-CG 4.06Å; A29-E98 PolarHBondContact N-O 3.36Å; A29-E98 PolarHBondContact O-N 3.48Å
30L98.1Very high97.1Very high36 Ų3666.8 Ų66.819%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-117.9146.9178.7-67.6162.5000109.3A27 I61 Y65 V94 D95 V96A27-L30 HydrophobicContact CB-CD2 4.16Å; A27-L30 HydrophobicContact CB-CG 4.36Å; L30-I61 HydrophobicContact CD1-CB 4.44Å; L30-I61 HydrophobicContact CD1-CG1 4.26Å; L30-I61 HydrophobicContact CD1-CG2 3.67Å; L30-I61 HydrophobicContact CD2-CD1 4.12Å; L30-I61 HydrophobicContact CD2-CG1 4.39Å; L30-Y65 HydrophobicContact CB-CD1 3.81Å; L30-Y65 HydrophobicContact CB-CE1 3.59Å; L30-Y65 HydrophobicContact CB-CG 4.42Å; L30-Y65 HydrophobicContact CD1-CD1 4.08Å; L30-Y65 HydrophobicContact CD1-CD2 3.7Å; L30-Y65 HydrophobicContact CD1-CE1 4.2Å; L30-Y65 HydrophobicContact CD1-CE2 3.84Å; L30-Y65 HydrophobicContact CD1-CG 3.84Å; L30-V94 HydrophobicContact CD2-CG1 3.9Å; L30-D95 CarbonylContact C-O 3.59Å; L30-D95 WeakPolarHBondContact CA-O 3.37Å; L30-V96 HydrophobicContact CD2-CB 4.4Å; L30-V96 HydrophobicContact CD2-CG2 3.88Å
31K97.5Very high97.2Very high120 Ų12069.4 Ų69.452%0.52238%0.384SS..EExtended strand (participates in β ladder)trans-129.9133.2171.3-179.9178.9177.4-176.30108.9D95 M97K31-D95 PolarHBondContact N-O 3.24Å; K31-D95 PolarHBondContact O-N 3.23Å; K31-M97 HydrophobicContact CB-CG 3.52Å; K31-M97 HydrophobicContact CB-SD 3.92Å; K31-M97 HydrophobicContact CD-SD 4.24Å
32V97.1Very high97.3Very high62 Ų6267 Ų6738%0.37638%0.375SS..EExtended strand (participates in β ladder)trans-92.5125169.2174.50000108.2Y65 R89 E93V32-Y65 HydrophobicContact CG2-CD1 3.92Å; V32-R89 VanDerWaalsContact CG1-CZ 3.5Å; V32-E93 WeakPolarHBondContact CA-O 3.37Å
33S94.9Very high97.3Very high31 Ų3165.2 Ų65.222%0.21736%0.364CS..  trans-123.8133.5173.660.30000110.1V35 E93S33-V35 PolarHBondContact O-N 3.02Å; S33-E93 PolarHBondContact N-O 3.49Å; S33-E93 WeakPolarHBondContact O-CA 3.5Å; S33-E93 WeakPolarHBondContact O-CB 3.43Å; S33-E93 PolarHBondContact OG-O 3.44Å
34T94.3Very high97.3Very high131 Ų13173.5 Ų73.580%0.80440%0.395SS*.  trans-63.8127.3170.5-51.60000109.3
35V96.5Very high97.3Very high47 Ų4768.2 Ų68.229%0.28537%0.373SS..  trans-120.8140.7171.71790000107S33 Y37 H88 L92 E93S33-V35 PolarHBondContact O-N 3.02Å; V35-Y37 PolarHBondContact O-N 2.95Å; V35-H88 PolarHBondContact O-CE1 2.91Å; V35-H88 PolarHBondContact O-NE2 3.24Å; V35-H88 VanDerWaalsContact O-NE2 3.15Å; V35-L92 HydrophobicContact CG1-CB 4.49Å; V35-L92 WeakPolarHBondContact CG2-O 3.37Å; V35-E93 HydrophobicContact CB-CG 4.42Å
36D97.7Very high97.3Very high151 Ų15167.9 Ų67.981%0.80737%0.372SS*.  trans-58126.3178.7-69.6-26.4000110.2D38 H88D36-D38 PolarHBondContact O-N 3.06Å; D36-H88 PolarHBondContact O-CE1 3.49Å
37Y98Very high97.3Very high78 Ų7867.2 Ų67.231%0.30638%0.378SS..  trans-79.7112.6179.4176.6-109.3000110.1V35 P39 V42 L84 K85 H88V35-Y37 PolarHBondContact O-N 2.95Å; Y37-P39 HydrophobicContact CE1-CB 4.22Å; Y37-P39 HydrophobicContact CE1-CG 4.29Å; Y37-V42 HydrophobicContact CE2-CG2 4.42Å; Y37-L84 HydrophobicContact CE2-CB 4.44Å; Y37-L84 WeakPolarHBondContact OH-CB 3.37Å; Y37-K85 HydrophobicContact CE1-CG 4.48Å; Y37-K85 HydrophobicContact CE2-CG 4Å; Y37-H88 HydrophobicContact CD2-CB 3.92Å; Y37-H88 AromaticContact CD2-CG 3.72Å; Y37-H88 AromaticContact CD2-ND1 3.85Å; Y37-H88 HydrophobicContact CE2-CB 4.1Å
38D97.9Very high97.3Very high70 Ų7072.2 Ų72.237%0.37439%0.393SS..  trans-121.2107.3167.7171.920.1000109.5D36 A40 S41 V42D36-D38 PolarHBondContact O-N 3.06Å; D38-A40 PolarHBondContact O-N 3.45Å; D38-A40 WeakPolarHBondContact OD1-CB 3.06Å; D38-A40 PolarHBondContact OD1-N 3.03Å; D38-S41 PolarHBondContact O-N 3.27Å; D38-S41 VanDerWaalsContact O-N 3.16Å; D38-S41 WeakPolarHBondContact OD2-CB 3.37Å; D38-S41 PolarHBondContact OD2-N 2.87Å; D38-S41 PolarHBondContact OD2-OG 2.8Å; D38-V42 WeakPolarHBondContact O-CG2 3.46Å; D38-V42 PolarHBondContact O-N 2.94Å
39P97.9Very high97.4Very high58 Ų5866.8 Ų66.838%0.37736%0.364SS..Hα-helixtrans-59.6-34.5-17823.5-32.7000112.3Y37 V42 A43 L84Y37-P39 HydrophobicContact CE1-CB 4.22Å; Y37-P39 HydrophobicContact CE1-CG 4.29Å; P39-V42 PolarHBondContact O-N 3.27Å; P39-A43 VanDerWaalsContact O-CB 3.27Å; P39-A43 WeakPolarHBondContact O-CB 3.36Å; P39-A43 PolarHBondContact O-N 2.91Å; P39-L84 HydrophobicContact CB-CD1 3.92Å
40A97.8Very high97.4Very high50 Ų5070.4 Ų70.441%0.41338%0.375SS..Hα-helixtrans-68.4-39.4179.900000111.5D38 R44D38-A40 PolarHBondContact O-N 3.45Å; D38-A40 WeakPolarHBondContact OD1-CB 3.06Å; D38-A40 PolarHBondContact OD1-N 3.03Å; A40-R44 WeakPolarHBondContact O-CD 3.48Å; A40-R44 VanDerWaalsContact O-CG 3.22Å; A40-R44 WeakPolarHBondContact O-CG 3.42Å; A40-R44 PolarHBondContact O-N 3.34Å
41S97.1Very high97.4Very high54 Ų5469.6 Ų69.638%0.37837%0.369SS..Hα-helixtrans-66-45173.3-720000111.9D38 R44 L45D38-S41 PolarHBondContact O-N 3.27Å; D38-S41 VanDerWaalsContact O-N 3.16Å; D38-S41 WeakPolarHBondContact OD2-CB 3.37Å; D38-S41 PolarHBondContact OD2-N 2.87Å; D38-S41 PolarHBondContact OD2-OG 2.8Å; S41-R44 WeakPolarHBondContact O-CB 3.35Å; S41-R44 PolarHBondContact O-N 2.78Å; S41-L45 WeakPolarHBondContact O-CG 3.41Å; S41-L45 PolarHBondContact O-N 2.84Å
42V98.3Very high97.4Very high1 Ų167.6 Ų67.61%0.00637%0.37CS..Hα-helixtrans-63-46.5179.4179.90000110.8Y37 D38 P39 R44 L45 I46 L84 A87 H88 L92Y37-V42 HydrophobicContact CE2-CG2 4.42Å; D38-V42 WeakPolarHBondContact O-CG2 3.46Å; D38-V42 PolarHBondContact O-N 2.94Å; P39-V42 PolarHBondContact O-N 3.27Å; V42-R44 PolarHBondContact O-N 2.79Å; V42-L45 WeakPolarHBondContact O-CB 3.43Å; V42-L45 PolarHBondContact O-N 2.83Å; V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 3.44Å; V42-L84 HydrophobicContact CB-CD2 4.3Å; V42-L84 HydrophobicContact CG1-CB 4.48Å; V42-L84 HydrophobicContact CG1-CD2 3.94Å; V42-A87 HydrophobicContact CG1-CB 3.95Å; V42-H88 HydrophobicContact CG1-CB 4.37Å; V42-H88 HydrophobicContact CG2-CB 3.82Å; V42-L92 HydrophobicContact CG2-CD1 4.23Å
43A98.3Very high97.4Very high16 Ų1665.6 Ų65.613%0.13236%0.358CS..Hα-helixtrans-56.9-34.717700000112.5P39 L45 I46 P47 Y77 L84P39-A43 VanDerWaalsContact O-CB 3.27Å; P39-A43 WeakPolarHBondContact O-CB 3.36Å; P39-A43 PolarHBondContact O-N 2.91Å; A43-L45 VanDerWaalsContact C-N 3.29Å; A43-L45 PolarHBondContact O-N 3.5Å; A43-I46 PolarHBondContact O-N 2.81Å; A43-P47 VanDerWaalsContact O-CD 3.24Å; A43-P47 WeakPolarHBondContact O-CD 3.41Å; A43-Y77 HydrophobicContact CB-CE2 4.44Å; A43-L84 HydrophobicContact CB-CD2 4Å
44R97.7Very high97.6Very high175 Ų17564.2 Ų64.266%0.6635%0.348SS*.Hα-helixtrans-71.7-19.1176.1-72.8169-178.8-173.52.3114.2A40 S41 V42 K48A40-R44 WeakPolarHBondContact O-CD 3.48Å; A40-R44 VanDerWaalsContact O-CG 3.22Å; A40-R44 WeakPolarHBondContact O-CG 3.42Å; A40-R44 PolarHBondContact O-N 3.34Å; S41-R44 WeakPolarHBondContact O-CB 3.35Å; S41-R44 PolarHBondContact O-N 2.78Å; V42-R44 PolarHBondContact O-N 2.79Å; R44-K48 WeakPolarHBondContact O-CE 3.16Å
45L97.6Very high97.8Very high28 Ų2859.7 Ų59.715%0.14732%0.317CS..Hα-helixtrans-83.9-32176.1-61.2179.2000112F4 S41 V42 A43 K48 V49 L91 L92F4-L45 HydrophobicContact CD2-CD1 4.4Å; F4-L45 HydrophobicContact CD2-CD2 4.29Å; F4-L45 HydrophobicContact CE2-CB 4.36Å; F4-L45 HydrophobicContact CE2-CD2 3.74Å; F4-L45 HydrophobicContact CE2-CG 4.46Å; F4-L45 HydrophobicContact CZ-CD2 3.91Å; S41-L45 WeakPolarHBondContact O-CG 3.41Å; S41-L45 PolarHBondContact O-N 2.84Å; V42-L45 WeakPolarHBondContact O-CB 3.43Å; V42-L45 PolarHBondContact O-N 2.83Å; A43-L45 VanDerWaalsContact C-N 3.29Å; A43-L45 PolarHBondContact O-N 3.5Å; L45-K48 WeakPolarHBondContact O-CA 3.34Å; L45-K48 WeakPolarHBondContact O-CB 3.36Å; L45-K48 PolarHBondContact O-N 2.83Å; L45-V49 PolarHBondContact O-N 3.25Å; L45-L91 HydrophobicContact CB-CD1 4.3Å; L45-L92 HydrophobicContact CD1-CD1 4.08Å; L45-L92 HydrophobicContact CD1-CD2 3.83Å; L45-L92 HydrophobicContact CD1-CG 4.24Å
46I98.3Very high97.8Very high7 Ų760 Ų604%0.03632%0.322CS..G310 helixtrans-49.1-50.4-178.1-56-55.4000113.6V42 A43 K48 V49 W51 V73 Y77 F83 A87 L91V42-I46 WeakPolarHBondContact O-CG1 3.45Å; V42-I46 PolarHBondContact O-N 3.44Å; A43-I46 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.93Å; I46-V49 VanDerWaalsContact O-CG2 3.25Å; I46-V49 WeakPolarHBondContact O-CG2 3.27Å; I46-V49 PolarHBondContact O-N 2.76Å; I46-W51 HydrophobicContact CD1-CZ3 4.29Å; I46-V73 HydrophobicContact CG2-CG1 3.61Å; I46-V73 HydrophobicContact CG2-CG2 4.09Å; I46-Y77 HydrophobicContact CB-CD2 3.97Å; I46-Y77 HydrophobicContact CB-CE2 3.7Å; I46-Y77 HydrophobicContact CG1-CD2 3.85Å; I46-Y77 HydrophobicContact CG1-CE2 3.98Å; I46-Y77 HydrophobicContact CG2-CD1 4.42Å; I46-Y77 HydrophobicContact CG2-CD2 3.88Å; I46-Y77 HydrophobicContact CG2-CE1 4.39Å; I46-Y77 HydrophobicContact CG2-CE2 3.85Å; I46-Y77 HydrophobicContact CG2-CG 4.18Å; I46-F83 HydrophobicContact CD1-CE1 3.68Å; I46-F83 HydrophobicContact CD1-CZ 3.91Å; I46-F83 HydrophobicContact CG1-CE1 3.98Å; I46-F83 HydrophobicContact CG2-CE1 4.43Å; I46-F83 HydrophobicContact CG2-CZ 4.45Å; I46-A87 HydrophobicContact CD1-CB 3.64Å; I46-L91 HydrophobicContact CD1-CD1 4.38Å
47P97Very high97.8Very high92 Ų9253.1 Ų53.160%0.59729%0.285SS*.G310 helixtrans-73.1-6.7179.729.8-36.9000114.2A43A43-P47 VanDerWaalsContact O-CD 3.24Å; A43-P47 WeakPolarHBondContact O-CD 3.41Å
48K96.7Very high97.8Very high144 Ų14449.6 Ų49.663%0.62627%0.272SS*.G310 helixtrans-98.1-7.3-179.4-58.9180-178.9179.70112.8R44 L45 I46R44-K48 WeakPolarHBondContact O-CE 3.16Å; L45-K48 WeakPolarHBondContact O-CA 3.34Å; L45-K48 WeakPolarHBondContact O-CB 3.36Å; L45-K48 PolarHBondContact O-N 2.83Å; I46-K48 PolarHBondContact O-N 2.93Å
49V98.2Very high97.8Very high14 Ų1450 Ų509%0.08528%0.275CS..SBendtrans-109.3144.2-178.4-62.80000110.5F4 N7 L45 I46 W51 V54 L91F4-V49 HydrophobicContact CD2-CG1 3.65Å; F4-V49 HydrophobicContact CE2-CG1 3.83Å; N7-V49 WeakPolarHBondContact OD1-CA 3.25Å; N7-V49 WeakPolarHBondContact OD1-CB 3.44Å; L45-V49 PolarHBondContact O-N 3.25Å; I46-V49 VanDerWaalsContact O-CG2 3.25Å; I46-V49 WeakPolarHBondContact O-CG2 3.27Å; I46-V49 PolarHBondContact O-N 2.76Å; V49-W51 HydrophobicContact CG2-CE3 4.39Å; V49-W51 PolarHBondContact O-N 2.75Å; V49-V54 HydrophobicContact CB-CG2 4.05Å; V49-V54 HydrophobicContact CG2-CG2 4.25Å; V49-L91 HydrophobicContact CG1-CD1 4.44Å; V49-L91 HydrophobicContact CG1-CD2 4.04Å
50E97.9Very high97.7Very high114 Ų11453.2 Ų53.253%0.53329%0.285SS..  trans-78.494.7164.5-69.3-63.8156.900108N7 Y21 S52 V53 V54N7-E50 PolarHBondContact ND2-O 2.83Å; N7-E50 VanDerWaalsContact ND2-O 3.11Å; N7-E50 PolarHBondContact OD1-N 3.34Å; Y21-E50 HydrophobicContact CE1-CB 4.29Å; Y21-E50 HydrophobicContact CE1-CG 3.93Å; Y21-E50 WeakPolarHBondContact OH-CB 3.3Å; E50-S52 VanDerWaalsContact C-N 3.27Å; E50-S52 PolarHBondContact O-N 3.36Å; E50-V53 HydrophobicContact CB-CB 4.19Å; E50-V53 HydrophobicContact CB-CG2 3.98Å; E50-V53 WeakPolarHBondContact O-CB 3.34Å; E50-V53 PolarHBondContact O-N 2.69Å; E50-V54 PolarHBondContact O-N 3.25Å; E50-V54 VanDerWaalsContact O-N 3.1Å
51W98.2Very high97.6Very high18 Ų1852 Ų527%0.06827%0.271CS..Hα-helixtrans-57-38.8-172.4-174.7-103.6000113.3I46 V49 V53 V54 K55 L69 P70 V73 F83 A87I46-W51 HydrophobicContact CD1-CZ3 4.29Å; V49-W51 HydrophobicContact CG2-CE3 4.39Å; V49-W51 PolarHBondContact O-N 2.75Å; W51-V53 PolarHBondContact O-N 3.08Å; W51-V54 HydrophobicContact CE3-CB 4.46Å; W51-V54 HydrophobicContact CZ3-CG1 4.41Å; W51-V54 WeakPolarHBondContact O-CB 3.33Å; W51-V54 PolarHBondContact O-N 3Å; W51-V54 VanDerWaalsContact O-N 3.1Å; W51-K55 WeakPolarHBondContact O-CB 3.37Å; W51-K55 PolarHBondContact O-N 3.37Å; W51-L69 HydrophobicContact CH2-CD1 4.25Å; W51-L69 HydrophobicContact CZ2-CB 4.1Å; W51-L69 HydrophobicContact CZ2-CD1 4.25Å; W51-P70 HydrophobicContact CZ2-CG 4.08Å; W51-P70 PolarHBondContact NE1-O 3.13Å; W51-V73 HydrophobicContact CB-CG2 3.64Å; W51-V73 HydrophobicContact CD2-CG2 3.7Å; W51-V73 HydrophobicContact CE3-CG2 4.2Å; W51-V73 HydrophobicContact CG-CG2 3.41Å; W51-V73 VanDerWaalsContact CG-CG2 3.41Å; W51-F83 HydrophobicContact CE3-CZ 4.38Å; W51-F83 AromaticContact CH2-CE2 3.53Å; W51-F83 HydrophobicContact CH2-CE2 3.53Å; W51-F83 AromaticContact CH2-CZ 3.75Å; W51-F83 HydrophobicContact CH2-CZ 3.75Å; W51-F83 HydrophobicContact CZ2-CD2 4.46Å; W51-F83 AromaticContact CZ2-CE2 3.47Å; W51-F83 HydrophobicContact CZ2-CE2 3.47Å; W51-F83 VanDerWaalsContact CZ2-CE2 3.47Å; W51-F83 HydrophobicContact CZ2-CZ 4.04Å; W51-F83 HydrophobicContact CZ3-CE2 4.18Å; W51-F83 AromaticContact CZ3-CZ 3.93Å; W51-F83 HydrophobicContact CZ3-CZ 3.93Å; W51-A87 HydrophobicContact CH2-CB 4.03Å; W51-A87 HydrophobicContact CZ3-CB 4.02Å
52S97.7Very high97.6Very high79 Ų7950.5 Ų50.555%0.55226%0.264SS*.Hα-helixtrans-59.2-35.7176.6570000112.3E50 S56E50-S52 VanDerWaalsContact C-N 3.27Å; E50-S52 PolarHBondContact O-N 3.36Å; S52-S56 WeakPolarHBondContact O-CB 3.35Å; S52-S56 PolarHBondContact O-N 3.12Å
53V98.1Very high97.5Very high19 Ų1957.4 Ų57.412%0.11530%0.297CS..Hα-helixtrans-73.6-41.3175178.60000110.8N7 Y21 P22 E50 W51 K55 S56 V57N7-V53 WeakPolarHBondContact ND2-CB 3.43Å; Y21-V53 HydrophobicContact CE1-CG2 4Å; Y21-V53 WeakPolarHBondContact OH-CB 3.44Å; Y21-V53 WeakPolarHBondContact OH-CG1 3.4Å; Y21-V53 WeakPolarHBondContact OH-CG2 3.32Å; P22-V53 HydrophobicContact CB-CG1 3.68Å; P22-V53 HydrophobicContact CB-CG2 4.12Å; P22-V53 HydrophobicContact CG-CG1 4.29Å; P22-V53 HydrophobicContact CG-CG2 4.06Å; E50-V53 HydrophobicContact CB-CB 4.19Å; E50-V53 HydrophobicContact CB-CG2 3.98Å; E50-V53 WeakPolarHBondContact O-CB 3.34Å; E50-V53 PolarHBondContact O-N 2.69Å; W51-V53 PolarHBondContact O-N 3.08Å; V53-K55 VanDerWaalsContact C-N 3.31Å; V53-K55 PolarHBondContact O-N 3.33Å; V53-S56 PolarHBondContact O-N 3.18Å; V53-V57 HydrophobicContact CG1-CG2 4.37Å; V53-V57 WeakPolarHBondContact O-CB 3.48Å; V53-V57 VanDerWaalsContact O-CG2 3.25Å; V53-V57 WeakPolarHBondContact O-CG2 3.46Å; V53-V57 PolarHBondContact O-N 3.17Å
54V98.4Very high97.3Very high2 Ų264.1 Ų64.11%0.01233%0.33CS..Hα-helixtrans-57.4-47.7174.7178.90000110.4N7 V49 E50 W51 V57 A58 L69 A90 L91N7-V54 HydrophobicContact CB-CG2 4.38Å; N7-V54 WeakPolarHBondContact ND2-CG2 3.38Å; V49-V54 HydrophobicContact CB-CG2 4.05Å; V49-V54 HydrophobicContact CG2-CG2 4.25Å; E50-V54 PolarHBondContact O-N 3.25Å; E50-V54 VanDerWaalsContact O-N 3.1Å; W51-V54 HydrophobicContact CE3-CB 4.46Å; W51-V54 HydrophobicContact CZ3-CG1 4.41Å; W51-V54 WeakPolarHBondContact O-CB 3.33Å; W51-V54 PolarHBondContact O-N 3Å; W51-V54 VanDerWaalsContact O-N 3.1Å; V54-V57 PolarHBondContact O-N 3.46Å; V54-A58 WeakPolarHBondContact O-CB 3.48Å; V54-A58 PolarHBondContact O-N 3.08Å; V54-L69 HydrophobicContact CG1-CD1 4.04Å; V54-A90 HydrophobicContact CG1-CB 4.21Å; V54-L91 HydrophobicContact CB-CD2 4.5Å; V54-L91 HydrophobicContact CG1-CD2 3.84Å; V54-L91 HydrophobicContact CG2-CD2 3.76Å
55K98.2Very high97.3Very high36 Ų3660 Ų6016%0.15732%0.315CS..Hα-helixtrans-64.1-47.6179.9-170.8-95.5176.2172.40112.1W51 V53 V57 A58 D59 L69 E71W51-K55 WeakPolarHBondContact O-CB 3.37Å; W51-K55 PolarHBondContact O-N 3.37Å; V53-K55 VanDerWaalsContact C-N 3.31Å; V53-K55 PolarHBondContact O-N 3.33Å; K55-V57 VanDerWaalsContact C-N 3.3Å; K55-V57 PolarHBondContact O-N 3.3Å; K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 3.47Å; K55-A58 VanDerWaalsContact O-N 3.15Å; K55-D59 WeakPolarHBondContact CD-OD2 3.36Å; K55-D59 WeakPolarHBondContact CE-OD2 3.49Å; K55-D59 IonicContact NZ-OD2 2.65Å; K55-D59 PolarHBondContact NZ-OD2 3.38Å; K55-D59 VanDerWaalsContact O-CG 3.3Å; K55-D59 PolarHBondContact O-N 3.46Å; K55-L69 HydrophobicContact CG-CB 4.12Å; K55-E71 WeakPolarHBondContact CE-OE2 3.49Å; K55-E71 IonicContact NZ-OE2 3.7Å; K55-E71 PolarHBondContact NZ-OE2 3.2Å
56S97.6Very high97.3Very high54 Ų5458.7 Ų58.738%0.37831%0.309SS..Hα-helixtrans-56.2-44.1175.2-174.60000112.2S52 V53 D59 E60S52-S56 WeakPolarHBondContact O-CB 3.35Å; S52-S56 PolarHBondContact O-N 3.12Å; V53-S56 PolarHBondContact O-N 3.18Å; S56-D59 PolarHBondContact O-N 2.86Å; S56-E60 WeakPolarHBondContact O-CG 3.35Å; S56-E60 PolarHBondContact O-N 3.49Å
57V97.6Very high97.2Very high7 Ų761 Ų614%0.04232%0.324CS..Hα-helixtrans-70.2-36.2179.1173.40000111.7L3 H6 L25 V53 V54 K55 E60 I61L3-V57 HydrophobicContact CD2-CG1 3.94Å; L3-V57 HydrophobicContact CG-CG1 4.06Å; H6-V57 VanDerWaalsContact CE1-CG2 3.48Å; H6-V57 WeakPolarHBondContact CE1-CG2 3.25Å; L25-V57 HydrophobicContact CD2-CG1 3.67Å; V53-V57 HydrophobicContact CG1-CG2 4.37Å; V53-V57 WeakPolarHBondContact O-CB 3.48Å; V53-V57 VanDerWaalsContact O-CG2 3.25Å; V53-V57 WeakPolarHBondContact O-CG2 3.46Å; V53-V57 PolarHBondContact O-N 3.17Å; V54-V57 PolarHBondContact O-N 3.46Å; K55-V57 VanDerWaalsContact C-N 3.3Å; K55-V57 PolarHBondContact O-N 3.3Å; V57-E60 PolarHBondContact O-N 2.93Å; V57-I61 HydrophobicContact CG1-CD1 3.89Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 WeakPolarHBondContact O-CB 3.37Å; V57-I61 WeakPolarHBondContact O-CG1 3.17Å; V57-I61 PolarHBondContact O-N 3.18Å
58A97.9Very high97.1Very high4 Ų460.5 Ų60.53%0.03332%0.322CS..Hα-helixtrans-62.9-44.6174.100000111.8V54 K55 E60 I61 G62 I66 L69V54-A58 WeakPolarHBondContact O-CB 3.48Å; V54-A58 PolarHBondContact O-N 3.08Å; K55-A58 WeakPolarHBondContact O-CB 3.39Å; K55-A58 PolarHBondContact O-N 3.47Å; K55-A58 VanDerWaalsContact O-N 3.15Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.75Å; A58-I61 PolarHBondContact O-N 3.15Å; A58-G62 PolarHBondContact O-N 3.39Å; A58-I66 HydrophobicContact CB-CB 4.15Å; A58-I66 HydrophobicContact CB-CD1 4.06Å; A58-I66 HydrophobicContact CB-CG2 3.68Å; A58-L69 HydrophobicContact CB-CD1 3.58Å; A58-L69 HydrophobicContact CB-CG 4.1Å
59D97.1Very high97.2Very high79 Ų7954 Ų5442%0.42229%0.293SS..Hα-helixtrans-60.7-41.9175.7-67.4-10.8000111.3K55 S56 G62K55-D59 WeakPolarHBondContact CD-OD2 3.36Å; K55-D59 WeakPolarHBondContact CE-OD2 3.49Å; K55-D59 IonicContact NZ-OD2 2.65Å; K55-D59 PolarHBondContact NZ-OD2 3.38Å; K55-D59 VanDerWaalsContact O-CG 3.3Å; K55-D59 PolarHBondContact O-N 3.46Å; S56-D59 PolarHBondContact O-N 2.86Å; D59-G62 PolarHBondContact O-N 3.41Å
60E96.1Very high97.2Very high125 Ų12555.4 Ų55.458%0.58430%0.303SS*.Hα-helixtrans-67-34.5176.5-74.3174.6-148.700113.1S56 V57 A58S56-E60 WeakPolarHBondContact O-CG 3.35Å; S56-E60 PolarHBondContact O-N 3.49Å; V57-E60 PolarHBondContact O-N 2.93Å; A58-E60 VanDerWaalsContact C-N 3.33Å; A58-E60 PolarHBondContact O-N 2.75Å
61I96.4Very high97.2Very high23 Ų2356.2 Ų56.212%0.11831%0.307CS..Hα-helixtrans-72.9-37.3176.8-80.1172.3000111.6L3 L25 L30 V57 A58 Y65 I66L3-I61 HydrophobicContact CD1-CD1 3.84Å; L3-I61 HydrophobicContact CD2-CD1 4.07Å; L3-I61 HydrophobicContact CG-CD1 4.29Å; L25-I61 HydrophobicContact CD2-CD1 4.39Å; L30-I61 HydrophobicContact CD1-CB 4.44Å; L30-I61 HydrophobicContact CD1-CG1 4.26Å; L30-I61 HydrophobicContact CD1-CG2 3.67Å; L30-I61 HydrophobicContact CD2-CD1 4.12Å; L30-I61 HydrophobicContact CD2-CG1 4.39Å; V57-I61 HydrophobicContact CG1-CD1 3.89Å; V57-I61 HydrophobicContact CG1-CG1 4.48Å; V57-I61 WeakPolarHBondContact O-CB 3.37Å; V57-I61 WeakPolarHBondContact O-CG1 3.17Å; V57-I61 PolarHBondContact O-N 3.18Å; A58-I61 PolarHBondContact O-N 3.15Å; I61-Y65 HydrophobicContact CG2-CD2 4.16Å; I61-Y65 HydrophobicContact CG2-CG 4.15Å; I61-I66 HydrophobicContact CB-CD1 4.28Å; I61-I66 HydrophobicContact CD1-CD1 3.93Å; I61-I66 HydrophobicContact CG2-CD1 3.94Å; I61-I66 HydrophobicContact CG2-CG1 4.17Å
62G96.1Very high97.1Very high24 Ų2462.7 Ų62.725%0.24734%0.338CS..  trans92.9160.1176.800000115.3A58 D59 D64 Y65 I66A58-G62 PolarHBondContact O-N 3.39Å; D59-G62 PolarHBondContact O-N 3.41Å; G62-D64 VanDerWaalsContact C-N 3.26Å; G62-D64 PolarHBondContact O-N 2.92Å; G62-Y65 PolarHBondContact O-N 3.18Å; G62-Y65 VanDerWaalsContact O-N 3.13Å; G62-I66 PolarHBondContact O-N 2.81Å; G62-I66 VanDerWaalsContact O-N 3.08Å
63E96.1Very high97.2Very high146 Ų14661.1 Ų61.168%0.68233%0.325SS*.THydrogen-bonded Turntrans-67.2-20.7-169.5-66.6-177.2-156.200114.8Y65 I66E63-Y65 PolarHBondContact O-N 3.38Å; E63-I66 VanDerWaalsContact CA-O 3.31Å; E63-I66 WeakPolarHBondContact CA-O 3.08Å
64D95.6Very high97.1Very high157 Ų15761.8 Ų61.884%0.8433%0.329SS*.THydrogen-bonded Turntrans-61.2-25.9174.2-69.9-23.5000112.2G62G62-D64 VanDerWaalsContact C-N 3.26Å; G62-D64 PolarHBondContact O-N 2.92Å
65Y96.8Very high97Very high87 Ų8768.9 Ų68.934%0.34137%0.372SS..THydrogen-bonded Turntrans-111.5-42.6179.2-62.6-88.1000112.3L30 V32 I61 G62 E63 R89L30-Y65 HydrophobicContact CB-CD1 3.81Å; L30-Y65 HydrophobicContact CB-CE1 3.59Å; L30-Y65 HydrophobicContact CB-CG 4.42Å; L30-Y65 HydrophobicContact CD1-CD1 4.08Å; L30-Y65 HydrophobicContact CD1-CD2 3.7Å; L30-Y65 HydrophobicContact CD1-CE1 4.2Å; L30-Y65 HydrophobicContact CD1-CE2 3.84Å; L30-Y65 HydrophobicContact CD1-CG 3.84Å; V32-Y65 HydrophobicContact CG2-CD1 3.92Å; I61-Y65 HydrophobicContact CG2-CD2 4.16Å; I61-Y65 HydrophobicContact CG2-CG 4.15Å; G62-Y65 PolarHBondContact O-N 3.18Å; G62-Y65 VanDerWaalsContact O-N 3.13Å; E63-Y65 PolarHBondContact O-N 3.38Å; Y65-R89 VanDerWaalsContact O-CZ 3.23Å; Y65-R89 PolarHBondContact O-NE 2.94Å; Y65-R89 PolarHBondContact O-NH2 3.44Å
66I97Very high96.9Very high2 Ų271.3 Ų71.31%0.0139%0.387CS..SBendtrans-129.2113.9-176-57.1170.8000108.7L3 A58 I61 G62 E63 L69 A90 V94L3-I66 HydrophobicContact CD1-CD1 4.44Å; L3-I66 HydrophobicContact CD2-CD1 3.39Å; A58-I66 HydrophobicContact CB-CB 4.15Å; A58-I66 HydrophobicContact CB-CD1 4.06Å; A58-I66 HydrophobicContact CB-CG2 3.68Å; I61-I66 HydrophobicContact CB-CD1 4.28Å; I61-I66 HydrophobicContact CD1-CD1 3.93Å; I61-I66 HydrophobicContact CG2-CD1 3.94Å; I61-I66 HydrophobicContact CG2-CG1 4.17Å; G62-I66 PolarHBondContact O-N 2.81Å; G62-I66 VanDerWaalsContact O-N 3.08Å; E63-I66 VanDerWaalsContact CA-O 3.31Å; E63-I66 WeakPolarHBondContact CA-O 3.08Å; I66-L69 HydrophobicContact CG2-CD1 4.34Å; I66-L69 HydrophobicContact CG2-CD2 4.22Å; I66-L69 HydrophobicContact CG2-CG 4.21Å; I66-A90 HydrophobicContact CG2-CB 3.76Å; I66-V94 HydrophobicContact CD1-CB 4.25Å; I66-V94 HydrophobicContact CD1-CG1 4.26Å; I66-V94 HydrophobicContact CD1-CG2 4.19Å; I66-V94 HydrophobicContact CG1-CB 4.25Å; I66-V94 HydrophobicContact CG1-CG1 4.43Å; I66-V94 HydrophobicContact CG1-CG2 3.63Å
67P95.8Very high96.9Very high56 Ų5671.8 Ų71.836%0.36438%0.381SS..PPolyproline II helixtrans-57.5153176.4-19.830.5000111.5L69 L86 R89P67-L69 PolarHBondContact O-N 3.11Å; P67-L69 VanDerWaalsContact O-N 3.1Å; P67-L86 HydrophobicContact CB-CD2 3.72Å; P67-L86 HydrophobicContact CG-CD2 4.15Å; P67-R89 HydrophobicContact CG-CG 4.46Å
68C96.4Very high96.9Very high81 Ų8174.7 Ų74.755%0.54740%0.402SS..PPolyproline II helixtrans-51.4118.7-179.7-174.30000111.3
69L98.1Very high96.8Very high6 Ų682.3 Ų82.33%0.03144%0.437CS..PPolyproline II helixtrans-86.6148.5-179.3-60.9-176000110.2W51 V54 K55 A58 I66 P67 L86 A90W51-L69 HydrophobicContact CH2-CD1 4.25Å; W51-L69 HydrophobicContact CZ2-CB 4.1Å; W51-L69 HydrophobicContact CZ2-CD1 4.25Å; V54-L69 HydrophobicContact CG1-CD1 4.04Å; K55-L69 HydrophobicContact CG-CB 4.12Å; A58-L69 HydrophobicContact CB-CD1 3.58Å; A58-L69 HydrophobicContact CB-CG 4.1Å; I66-L69 HydrophobicContact CG2-CD1 4.34Å; I66-L69 HydrophobicContact CG2-CD2 4.22Å; I66-L69 HydrophobicContact CG2-CG 4.21Å; P67-L69 PolarHBondContact O-N 3.11Å; P67-L69 VanDerWaalsContact O-N 3.1Å; L69-L86 HydrophobicContact CD2-CB 3.83Å; L69-A90 HydrophobicContact CD1-CB 3.81Å; L69-A90 HydrophobicContact CD2-CB 4.23Å
70P97.8Very high96.9Very high44 Ų4480.8 Ų80.829%0.28643%0.429SS..PPolyproline II helixtrans-63.9147.7172.427.6-34.8000111.2W51 E72 F83W51-P70 HydrophobicContact CZ2-CG 4.08Å; W51-P70 PolarHBondContact NE1-O 3.13Å; P70-E72 VanDerWaalsContact C-N 3.27Å; P70-E72 PolarHBondContact O-N 3.18Å; P70-F83 HydrophobicContact CG-CD2 3.73Å; P70-F83 HydrophobicContact CG-CE2 3.88Å
71E97.5Very high96.9Very high132 Ų13280 Ų8062%0.61743%0.425SS*.SBendtrans-60.5-38.2-178.8-169.163.8-165.200112.2K55K55-E71 WeakPolarHBondContact CE-OE2 3.49Å; K55-E71 IonicContact NZ-OE2 3.7Å; K55-E71 PolarHBondContact NZ-OE2 3.2Å
72E97.6Very high97Very high154 Ų15486.1 Ų86.172%0.7245%0.453SS*.SBendtrans-125.4154.6179.1-63.4-175.4171.900111P70 P74P70-E72 VanDerWaalsContact C-N 3.27Å; P70-E72 PolarHBondContact O-N 3.18Å; E72-P74 WeakPolarHBondContact O-CD 3.41Å
73V98.2Very high97.1Very high46 Ų4685.2 Ų85.228%0.27944%0.443SS..  trans-66.7123.5171.4178.70000108.7I46 W51 Y77 F83I46-V73 HydrophobicContact CG2-CG1 3.61Å; I46-V73 HydrophobicContact CG2-CG2 4.09Å; W51-V73 HydrophobicContact CB-CG2 3.64Å; W51-V73 HydrophobicContact CD2-CG2 3.7Å; W51-V73 HydrophobicContact CE3-CG2 4.2Å; W51-V73 HydrophobicContact CG-CG2 3.41Å; W51-V73 VanDerWaalsContact CG-CG2 3.41Å; V73-Y77 HydrophobicContact CG1-CD1 3.52Å; V73-Y77 HydrophobicContact CG1-CE1 4.28Å; V73-Y77 HydrophobicContact CG1-CG 3.74Å; V73-F83 HydrophobicContact CB-CZ 4.49Å; V73-F83 HydrophobicContact CG1-CE1 4.36Å; V73-F83 HydrophobicContact CG1-CZ 3.97Å; V73-F83 HydrophobicContact CG2-CZ 4.35Å
74P97.4Very high97.2Very high32 Ų3278.4 Ų78.421%0.20841%0.411CS..  trans-58.2143.3176.6-24.134000111.9E72 N76 Y77 F83E72-P74 WeakPolarHBondContact O-CD 3.41Å; P74-N76 PolarHBondContact O-N 3.34Å; P74-Y77 VanDerWaalsContact O-CB 3.26Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 WeakPolarHBondContact O-CD1 3.1Å; P74-Y77 PolarHBondContact O-N 2.54Å; P74-F83 VanDerWaalsContact CD-CD2 3.4Å; P74-F83 VanDerWaalsContact CD-CE2 3.42Å; P74-F83 HydrophobicContact CG-CB 4.23Å; P74-F83 HydrophobicContact CG-CD2 3.78Å; P74-F83 HydrophobicContact CG-CE2 4.3Å; P74-F83 HydrophobicContact CG-CG 3.96Å
75V96Very high97.4Very high151 Ų15176 Ų7692%0.91539%0.393SS*.THydrogen-bonded Turntrans-56.3-40.1-178.3178.10000112.2
76N96Very high97.4Very high88 Ų8873.8 Ų73.847%0.47139%0.387SS..THydrogen-bonded Turntrans-99.635.317866.8-33.9000112.5P74 S78 E79 N80P74-N76 PolarHBondContact O-N 3.34Å; N76-S78 PolarHBondContact O-N 3.46Å; N76-E79 PolarHBondContact O-N 2.92Å; N76-N80 PolarHBondContact O-N 2.86Å
77Y97.7Very high97.5Very high63 Ų6373.7 Ų73.725%0.24739%0.386CS..THydrogen-bonded Turntrans-53.1-32.1-174.868.2-94.5000114.2A43 I46 V73 P74 E79 N80 F83 L84A43-Y77 HydrophobicContact CB-CE2 4.44Å; I46-Y77 HydrophobicContact CB-CD2 3.97Å; I46-Y77 HydrophobicContact CB-CE2 3.7Å; I46-Y77 HydrophobicContact CG1-CD2 3.85Å; I46-Y77 HydrophobicContact CG1-CE2 3.98Å; I46-Y77 HydrophobicContact CG2-CD1 4.42Å; I46-Y77 HydrophobicContact CG2-CD2 3.88Å; I46-Y77 HydrophobicContact CG2-CE1 4.39Å; I46-Y77 HydrophobicContact CG2-CE2 3.85Å; I46-Y77 HydrophobicContact CG2-CG 4.18Å; V73-Y77 HydrophobicContact CG1-CD1 3.52Å; V73-Y77 HydrophobicContact CG1-CE1 4.28Å; V73-Y77 HydrophobicContact CG1-CG 3.74Å; P74-Y77 VanDerWaalsContact O-CB 3.26Å; P74-Y77 WeakPolarHBondContact O-CB 3.48Å; P74-Y77 WeakPolarHBondContact O-CD1 3.1Å; P74-Y77 PolarHBondContact O-N 2.54Å; Y77-E79 PolarHBondContact O-N 3.23Å; Y77-N80 PolarHBondContact O-N 2.73Å; Y77-F83 HydrophobicContact CD2-CE1 4.37Å; Y77-F83 HydrophobicContact CG-CE1 4.27Å; Y77-L84 WeakPolarHBondContact O-CG 3.5Å
78S96.8Very high97.6Very high69 Ų6971.5 Ų71.548%0.48337%0.371SS..THydrogen-bonded Turntrans-67.1-21.6-178.753.40000113.9N76N76-S78 PolarHBondContact O-N 3.46Å
79E96.8Very high97.7Very high163 Ų16370 Ų7076%0.76235%0.354SS*.THydrogen-bonded Turntrans-107.1-6.6178.3-63.3173.4-164.300111.8N76 Y77 E81N76-E79 PolarHBondContact O-N 2.92Å; Y77-E79 PolarHBondContact O-N 3.23Å; E79-E81 PolarHBondContact O-N 3.08Å
80N97.9Very high97.7Very high47 Ų4769.7 Ų69.725%0.25135%0.352SS..  trans-89.790.3-178.7-172.7-27000110.1N76 Y77 E82 F83 L84N76-N80 PolarHBondContact O-N 2.86Å; Y77-N80 PolarHBondContact O-N 2.73Å; N80-E82 VanDerWaalsContact C-N 3.29Å; N80-E82 PolarHBondContact O-N 3.13Å; N80-E82 PolarHBondContact OD1-N 3.21Å; N80-F83 HydrophobicContact CB-CB 3.93Å; N80-F83 VanDerWaalsContact CG-CB 3.49Å; N80-F83 PolarHBondContact O-N 2.96Å; N80-F83 WeakPolarHBondContact OD1-CB 3.41Å; N80-F83 PolarHBondContact OD1-N 2.9Å; N80-L84 WeakPolarHBondContact O-CG 3.45Å; N80-L84 PolarHBondContact O-N 3.45Å
81E97.7Very high97.7Very high110 Ų11067.7 Ų67.751%0.51434%0.339SS..Hα-helixtrans-58.9-38.4-177.8-168.9-173.7151.900113.1E79 L84 K85E79-E81 PolarHBondContact O-N 3.08Å; E81-L84 PolarHBondContact O-N 3.46Å; E81-K85 HydrophobicContact CG-CD 4.42Å; E81-K85 WeakPolarHBondContact O-CG 3.37Å; E81-K85 PolarHBondContact O-N 2.88Å; E81-K85 VanDerWaalsContact OE1-CE 3.28Å; E81-K85 WeakPolarHBondContact OE1-CE 3.04Å; E81-K85 IonicContact OE1-NZ 3.82Å; E81-K85 PolarHBondContact OE1-NZ 3.06Å
82E97.7Very high97.8Very high151 Ų15162.8 Ų62.871%0.70632%0.317SS*.Hα-helixtrans-63-48.9178.5-175.2174.9-164.400110.9N80 L84 K85 L86N80-E82 VanDerWaalsContact C-N 3.29Å; N80-E82 PolarHBondContact O-N 3.13Å; N80-E82 PolarHBondContact OD1-N 3.21Å; E82-L84 VanDerWaalsContact C-N 3.35Å; E82-L84 PolarHBondContact O-N 3.23Å; E82-K85 PolarHBondContact O-N 3.15Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.34Å
83F98.5Very high97.8Very high5 Ų556.9 Ų56.92%0.02229%0.29CS..Hα-helixtrans-58.6-45172.8171-97.2000112I46 W51 P70 V73 P74 Y77 N80 K85 L86 A87I46-F83 HydrophobicContact CD1-CE1 3.68Å; I46-F83 HydrophobicContact CD1-CZ 3.91Å; I46-F83 HydrophobicContact CG1-CE1 3.98Å; I46-F83 HydrophobicContact CG2-CE1 4.43Å; I46-F83 HydrophobicContact CG2-CZ 4.45Å; W51-F83 HydrophobicContact CE3-CZ 4.38Å; W51-F83 AromaticContact CH2-CE2 3.53Å; W51-F83 HydrophobicContact CH2-CE2 3.53Å; W51-F83 AromaticContact CH2-CZ 3.75Å; W51-F83 HydrophobicContact CH2-CZ 3.75Å; W51-F83 HydrophobicContact CZ2-CD2 4.46Å; W51-F83 AromaticContact CZ2-CE2 3.47Å; W51-F83 HydrophobicContact CZ2-CE2 3.47Å; W51-F83 VanDerWaalsContact CZ2-CE2 3.47Å; W51-F83 HydrophobicContact CZ2-CZ 4.04Å; W51-F83 HydrophobicContact CZ3-CE2 4.18Å; W51-F83 AromaticContact CZ3-CZ 3.93Å; W51-F83 HydrophobicContact CZ3-CZ 3.93Å; P70-F83 HydrophobicContact CG-CD2 3.73Å; P70-F83 HydrophobicContact CG-CE2 3.88Å; V73-F83 HydrophobicContact CB-CZ 4.49Å; V73-F83 HydrophobicContact CG1-CE1 4.36Å; V73-F83 HydrophobicContact CG1-CZ 3.97Å; V73-F83 HydrophobicContact CG2-CZ 4.35Å; P74-F83 VanDerWaalsContact CD-CD2 3.4Å; P74-F83 VanDerWaalsContact CD-CE2 3.42Å; P74-F83 HydrophobicContact CG-CB 4.23Å; P74-F83 HydrophobicContact CG-CD2 3.78Å; P74-F83 HydrophobicContact CG-CE2 4.3Å; P74-F83 HydrophobicContact CG-CG 3.96Å; Y77-F83 HydrophobicContact CD2-CE1 4.37Å; Y77-F83 HydrophobicContact CG-CE1 4.27Å; N80-F83 HydrophobicContact CB-CB 3.93Å; N80-F83 VanDerWaalsContact CG-CB 3.49Å; N80-F83 PolarHBondContact O-N 2.96Å; N80-F83 WeakPolarHBondContact OD1-CB 3.41Å; N80-F83 PolarHBondContact OD1-N 2.9Å; F83-K85 VanDerWaalsContact C-N 3.27Å; F83-K85 PolarHBondContact O-N 3.41Å; F83-L86 WeakPolarHBondContact O-CB 3.39Å; F83-L86 PolarHBondContact O-N 2.99Å; F83-A87 HydrophobicContact CE1-CB 4.31Å; F83-A87 HydrophobicContact CZ-CB 4.38Å; F83-A87 WeakPolarHBondContact O-CB 3.36Å; F83-A87 PolarHBondContact O-N 3.38Å
84L98.6Very high97.8Very high3 Ų354.7 Ų54.72%0.01628%0.276CS..Hα-helixtrans-64.4-32.3-179.8-69.9174.8000112Y37 P39 V42 A43 Y77 N80 E81 E82 H88Y37-L84 HydrophobicContact CE2-CB 4.44Å; Y37-L84 WeakPolarHBondContact OH-CB 3.37Å; P39-L84 HydrophobicContact CB-CD1 3.92Å; V42-L84 HydrophobicContact CB-CD2 4.3Å; V42-L84 HydrophobicContact CG1-CB 4.48Å; V42-L84 HydrophobicContact CG1-CD2 3.94Å; A43-L84 HydrophobicContact CB-CD2 4Å; Y77-L84 WeakPolarHBondContact O-CG 3.5Å; N80-L84 WeakPolarHBondContact O-CG 3.45Å; N80-L84 PolarHBondContact O-N 3.45Å; E81-L84 PolarHBondContact O-N 3.46Å; E82-L84 VanDerWaalsContact C-N 3.35Å; E82-L84 PolarHBondContact O-N 3.23Å; L84-H88 WeakPolarHBondContact O-CB 3.36Å; L84-H88 PolarHBondContact O-N 2.93Å
85K98.4Very high97.8Very high106 Ų10654.4 Ų54.446%0.46127%0.273SS..Hα-helixtrans-68.5-42.1172.6-78172.4170164.60112Y37 E81 E82 F83 H88 R89Y37-K85 HydrophobicContact CE1-CG 4.48Å; Y37-K85 HydrophobicContact CE2-CG 4Å; E81-K85 HydrophobicContact CG-CD 4.42Å; E81-K85 WeakPolarHBondContact O-CG 3.37Å; E81-K85 PolarHBondContact O-N 2.88Å; E81-K85 VanDerWaalsContact OE1-CE 3.28Å; E81-K85 WeakPolarHBondContact OE1-CE 3.04Å; E81-K85 IonicContact OE1-NZ 3.82Å; E81-K85 PolarHBondContact OE1-NZ 3.06Å; E82-K85 PolarHBondContact O-N 3.15Å; F83-K85 VanDerWaalsContact C-N 3.27Å; F83-K85 PolarHBondContact O-N 3.41Å; K85-H88 PolarHBondContact O-N 2.98Å; K85-R89 WeakPolarHBondContact O-CB 3.47Å; K85-R89 PolarHBondContact O-N 3.43Å
86L98.2Very high97.9Very high41 Ų4147.3 Ų47.322%0.21523%0.23CC..Hα-helixtrans-61.8-46.6173.7-68.4174.9000111.7P67 L69 E82 F83 R89 A90P67-L86 HydrophobicContact CB-CD2 3.72Å; P67-L86 HydrophobicContact CG-CD2 4.15Å; L69-L86 HydrophobicContact CD2-CB 3.83Å; E82-L86 WeakPolarHBondContact O-CG 3.42Å; E82-L86 PolarHBondContact O-N 3.34Å; F83-L86 WeakPolarHBondContact O-CB 3.39Å; F83-L86 PolarHBondContact O-N 2.99Å; L86-R89 WeakPolarHBondContact O-CB 3.43Å; L86-R89 PolarHBondContact O-N 3.26Å; L86-A90 PolarHBondContact O-N 2.85Å
87A98.4Very high98Very high0 Ų045.6 Ų45.60%022%0.219CC..Hα-helixtrans-65-40.8177.200000112V42 I46 W51 F83 R89 A90 L91V42-A87 HydrophobicContact CG1-CB 3.95Å; I46-A87 HydrophobicContact CD1-CB 3.64Å; W51-A87 HydrophobicContact CH2-CB 4.03Å; W51-A87 HydrophobicContact CZ3-CB 4.02Å; F83-A87 HydrophobicContact CE1-CB 4.31Å; F83-A87 HydrophobicContact CZ-CB 4.38Å; F83-A87 WeakPolarHBondContact O-CB 3.36Å; F83-A87 PolarHBondContact O-N 3.38Å; A87-R89 VanDerWaalsContact C-N 3.34Å; A87-R89 PolarHBondContact O-N 3.44Å; A87-A90 PolarHBondContact O-N 3.1Å; A87-L91 HydrophobicContact CB-CD1 4.46Å; A87-L91 WeakPolarHBondContact O-CB 3.17Å; A87-L91 VanDerWaalsContact O-CG 3.23Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.29Å
88H98.5Very high98Very high9 Ų945.7 Ų45.74%0.04222%0.222CC..Hα-helixtrans-57.5-49173.817783.6000111V35 D36 Y37 V42 L84 K85 A90 L92 E93V35-H88 PolarHBondContact O-CE1 2.91Å; V35-H88 PolarHBondContact O-NE2 3.24Å; V35-H88 VanDerWaalsContact O-NE2 3.15Å; D36-H88 PolarHBondContact O-CE1 3.49Å; Y37-H88 HydrophobicContact CD2-CB 3.92Å; Y37-H88 AromaticContact CD2-CG 3.72Å; Y37-H88 AromaticContact CD2-ND1 3.85Å; Y37-H88 HydrophobicContact CE2-CB 4.1Å; V42-H88 HydrophobicContact CG1-CB 4.37Å; V42-H88 HydrophobicContact CG2-CB 3.82Å; L84-H88 WeakPolarHBondContact O-CB 3.36Å; L84-H88 PolarHBondContact O-N 2.93Å; K85-H88 PolarHBondContact O-N 2.98Å; H88-A90 PolarHBondContact O-N 3.1Å; H88-L92 WeakPolarHBondContact O-CA 3.23Å; H88-L92 WeakPolarHBondContact O-CB 3.45Å; H88-L92 PolarHBondContact O-N 2.95Å; H88-E93 IonicContact CD2-OE1 2.77Å; H88-E93 IonicContact NE2-OE1 2.85Å; H88-E93 PolarHBondContact O-N 3.32Å
89R98.3Very high98.1Very high50 Ų5042.6 Ų42.619%0.18920%0.202CC..Iπ-helixtrans-55.4-54.6177.8174.556.9179.3-162.1-2111.6V32 Y65 P67 K85 L86 A87 E93 V94V32-R89 VanDerWaalsContact CG1-CZ 3.5Å; Y65-R89 VanDerWaalsContact O-CZ 3.23Å; Y65-R89 PolarHBondContact O-NE 2.94Å; Y65-R89 PolarHBondContact O-NH2 3.44Å; P67-R89 HydrophobicContact CG-CG 4.46Å; K85-R89 WeakPolarHBondContact O-CB 3.47Å; K85-R89 PolarHBondContact O-N 3.43Å; L86-R89 WeakPolarHBondContact O-CB 3.43Å; L86-R89 PolarHBondContact O-N 3.26Å; A87-R89 VanDerWaalsContact C-N 3.34Å; A87-R89 PolarHBondContact O-N 3.44Å; R89-E93 WeakPolarHBondContact CD-OE2 3.25Å; R89-E93 IonicContact CZ-OE2 3.89Å; R89-E93 IonicContact NE-OE2 3.97Å; R89-E93 IonicContact NH1-OE2 3.63Å; R89-E93 PolarHBondContact NH1-OE2 3.48Å; R89-E93 PolarHBondContact O-N 2.99Å; R89-V94 PolarHBondContact O-N 2.86Å
90A98.2Very high98.2Very high0 Ų035.9 Ų35.90%017%0.171CC..Iπ-helixtrans-63.7-51.6-177.600000111.7L3 V54 I66 L69 L86 A87 H88L3-A90 WeakPolarHBondContact CB-O 3.49Å; V54-A90 HydrophobicContact CG1-CB 4.21Å; I66-A90 HydrophobicContact CG2-CB 3.76Å; L69-A90 HydrophobicContact CD1-CB 3.81Å; L69-A90 HydrophobicContact CD2-CB 4.23Å; L86-A90 PolarHBondContact O-N 2.85Å; A87-A90 PolarHBondContact O-N 3.1Å; H88-A90 PolarHBondContact O-N 3.1Å
91L98.4Very high98.2Very high1 Ų133.6 Ų33.61%0.00516%0.159CC..Iπ-helixtrans-76.9-33.7-169.5-65.8176.9000113.4F4 L45 I46 V49 V54 A87F4-L91 HydrophobicContact CB-CB 4.3Å; F4-L91 HydrophobicContact CB-CD2 4.49Å; F4-L91 WeakPolarHBondContact CB-O 3.19Å; F4-L91 PolarHBondContact N-O 2.99Å; L45-L91 HydrophobicContact CB-CD1 4.3Å; I46-L91 HydrophobicContact CD1-CD1 4.38Å; V49-L91 HydrophobicContact CG1-CD1 4.44Å; V49-L91 HydrophobicContact CG1-CD2 4.04Å; V54-L91 HydrophobicContact CB-CD2 4.5Å; V54-L91 HydrophobicContact CG1-CD2 3.84Å; V54-L91 HydrophobicContact CG2-CD2 3.76Å; A87-L91 HydrophobicContact CB-CD1 4.46Å; A87-L91 WeakPolarHBondContact O-CB 3.17Å; A87-L91 VanDerWaalsContact O-CG 3.23Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 3.29Å
92L98.1Very high98.1Very high30 Ų3029 Ų2916%0.15714%0.139CC..Iπ-helixtrans-121.5-29.7-163.9-57.7178.3000114.5K2 V35 V42 L45 H88K2-L92 WeakPolarHBondContact CD-O 3.43Å; K2-L92 WeakPolarHBondContact CE-O 3.46Å; K2-L92 PolarHBondContact NZ-O 3.45Å; V35-L92 HydrophobicContact CG1-CB 4.49Å; V35-L92 WeakPolarHBondContact CG2-O 3.37Å; V42-L92 HydrophobicContact CG2-CD1 4.23Å; L45-L92 HydrophobicContact CD1-CD1 4.08Å; L45-L92 HydrophobicContact CD1-CD2 3.83Å; L45-L92 HydrophobicContact CD1-CG 4.24Å; H88-L92 WeakPolarHBondContact O-CA 3.23Å; H88-L92 WeakPolarHBondContact O-CB 3.45Å; H88-L92 PolarHBondContact O-N 2.95Å
93E98.1Very high98Very high30 Ų3022 Ų2214%0.1411%0.106CC..Iπ-helixtrans-94.7-21.8-173.7-63.8-164.1128.500114.3V32 S33 V35 H88 R89V32-E93 WeakPolarHBondContact CA-O 3.37Å; S33-E93 PolarHBondContact N-O 3.49Å; S33-E93 WeakPolarHBondContact O-CA 3.5Å; S33-E93 WeakPolarHBondContact O-CB 3.43Å; S33-E93 PolarHBondContact OG-O 3.44Å; V35-E93 HydrophobicContact CB-CG 4.42Å; H88-E93 IonicContact CD2-OE1 2.77Å; H88-E93 IonicContact NE2-OE1 2.85Å; H88-E93 PolarHBondContact O-N 3.32Å; R89-E93 WeakPolarHBondContact CD-OE2 3.25Å; R89-E93 IonicContact CZ-OE2 3.89Å; R89-E93 IonicContact NE-OE2 3.97Å; R89-E93 IonicContact NH1-OE2 3.63Å; R89-E93 PolarHBondContact NH1-OE2 3.48Å; R89-E93 PolarHBondContact O-N 2.99Å
94V98Very high97.9Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-95.9118.9-179.7-179.60000110.8K2 L3 L30 I66 R89K2-V94 WeakPolarHBondContact CA-O 3.45Å; L3-V94 HydrophobicContact CD1-CB 4.14Å; L3-V94 HydrophobicContact CD1-CG1 3.99Å; L30-V94 HydrophobicContact CD2-CG1 3.9Å; I66-V94 HydrophobicContact CD1-CB 4.25Å; I66-V94 HydrophobicContact CD1-CG1 4.26Å; I66-V94 HydrophobicContact CD1-CG2 4.19Å; I66-V94 HydrophobicContact CG1-CB 4.25Å; I66-V94 HydrophobicContact CG1-CG1 4.43Å; I66-V94 HydrophobicContact CG1-CG2 3.63Å; R89-V94 PolarHBondContact O-N 2.86Å
95D97.2Very high97.7Very high26 Ų2628.2 Ų28.214%0.13914%0.14CC..EExtended strand (participates in β ladder)trans-109.8121.8177.1-91.7-74.4000110.8M1 K2 L30 K31 M97M1-D95 VanDerWaalsContact C-OD1 3.23Å; M1-D95 WeakPolarHBondContact CA-OD1 3.17Å; M1-D95 PolarHBondContact N-OD1 2.83Å; K2-D95 WeakPolarHBondContact CG-OD1 3.49Å; K2-D95 PolarHBondContact N-OD1 2.85Å; K2-D95 IonicContact NZ-OD2 2.93Å; K2-D95 PolarHBondContact NZ-OD2 3.41Å; L30-D95 CarbonylContact C-O 3.59Å; L30-D95 WeakPolarHBondContact CA-O 3.37Å; K31-D95 PolarHBondContact N-O 3.24Å; K31-D95 PolarHBondContact O-N 3.23Å; D95-M97 HydrophobicContact CB-SD 4.15Å; D95-M97 PolarHBondContact O-N 2.93Å
96V98.2Very high97.5Very high1 Ų126 Ų261%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-73.2110.2164.2-172.60000107.7M1 L25 A27 L30 I112 G115M1-V96 HydrophobicContact CB-CB 4.43Å; M1-V96 HydrophobicContact CE-CG2 4.42Å; M1-V96 PolarHBondContact N-O 3.27Å; M1-V96 PolarHBondContact O-N 3.18Å; L25-V96 HydrophobicContact CD1-CG1 4.27Å; L25-V96 HydrophobicContact CD1-CG2 4.24Å; L25-V96 HydrophobicContact CD2-CG2 3.89Å; A27-V96 HydrophobicContact CB-CG1 4.05Å; L30-V96 HydrophobicContact CD2-CB 4.4Å; L30-V96 HydrophobicContact CD2-CG2 3.88Å; V96-I112 HydrophobicContact CB-CD1 4.36Å; V96-I112 HydrophobicContact CG1-CD1 3.8Å; V96-G115 VanDerWaalsContact O-CA 3.28Å; V96-G115 WeakPolarHBondContact O-CA 3.46Å
97M98.2Very high97.3Very high52 Ų5226 Ų2626%0.25615%0.146SC..EExtended strand (participates in β ladder)trans-84.7-46.2-179.4-65-55.4-57.600111.2A29 K31 D95 S113 N114 G115A29-M97 HydrophobicContact CB-CB 4.23Å; A29-M97 PolarHBondContact O-N 3.2Å; K31-M97 HydrophobicContact CB-CG 3.52Å; K31-M97 HydrophobicContact CB-SD 3.92Å; K31-M97 HydrophobicContact CD-SD 4.24Å; D95-M97 HydrophobicContact CB-SD 4.15Å; D95-M97 PolarHBondContact O-N 2.93Å; M97-S113 CarbonylContact O-C 3.49Å; M97-N114 PolarHBondContact O-N 3.44Å; M97-N114 VanDerWaalsContact O-N 3.17Å; M97-G115 PolarHBondContact O-N 3.34Å
98E98.5Very high97Very high65 Ų6528.3 Ų28.330%0.30415%0.154SC..EExtended strand (participates in β ladder)trans-130.9141.8177.3-58.9-60.113900109.3N28 A29 I112 S113 N114N28-E98 HydrophobicContact CB-CB 4.3Å; N28-E98 PolarHBondContact N-O 2.88Å; A29-E98 HydrophobicContact CB-CB 3.83Å; A29-E98 HydrophobicContact CB-CG 4.06Å; A29-E98 PolarHBondContact N-O 3.36Å; A29-E98 PolarHBondContact O-N 3.48Å; E98-I112 WeakPolarHBondContact CA-O 3.44Å; E98-S113 WeakPolarHBondContact OE2-CA 3.22Å; E98-S113 PolarHBondContact OE2-OG 3.39Å; E98-N114 PolarHBondContact OE1-N 3.37Å
99G98.1Very high96.9Very high5 Ų532.8 Ų32.85%0.05218%0.175CC..EExtended strand (participates in β ladder)trans164.6-167.2-179.300000113K26 I112K26-G99 CarbonylContact O-C 3.52Å; K26-G99 WeakPolarHBondContact O-CA 3.26Å; G99-I112 PolarHBondContact N-O 3.29Å; G99-I112 PolarHBondContact O-N 2.93Å
100V98Very high96.8Very high21 Ų2130.6 Ų30.613%0.12717%0.167CC..EExtended strand (participates in β ladder)trans-139.7134.1179.6-178.60000109.7K26 V102 E109 F110K26-V100 HydrophobicContact CB-CB 4.43Å; K26-V100 PolarHBondContact N-O 3.18Å; K26-V100 PolarHBondContact O-N 2.81Å; V100-V102 HydrophobicContact CG1-CG2 4.11Å; V100-E109 HydrophobicContact CG1-CB 3.54Å; V100-E109 HydrophobicContact CG1-CG 3.81Å; V100-F110 WeakPolarHBondContact CA-O 3.42Å
101L97.9Very high96.8Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-94.1135.1164.5-57.3174.1000109M1 L9 L23 K24 L25 E109 F110 I112 P117 M119M1-L101 HydrophobicContact CE-CD2 4.1Å; M1-L101 HydrophobicContact SD-CD1 4.1Å; L9-L101 HydrophobicContact CD1-CD1 3.78Å; L23-L101 HydrophobicContact CB-CB 4.14Å; L23-L101 HydrophobicContact CB-CD2 4.46Å; L23-L101 HydrophobicContact CD1-CB 4.18Å; L23-L101 HydrophobicContact CD1-CD1 4.01Å; K24-L101 CarbonylContact O-C 3.44Å; K24-L101 VanDerWaalsContact O-CA 3.32Å; K24-L101 WeakPolarHBondContact O-CA 3.24Å; L25-L101 HydrophobicContact CD1-CD2 3.69Å; L101-E109 CarbonylContact O-C 3.59Å; L101-E109 WeakPolarHBondContact O-CA 3.46Å; L101-F110 HydrophobicContact CB-CB 4.2Å; L101-F110 HydrophobicContact CB-CD2 4.48Å; L101-F110 PolarHBondContact N-O 3.17Å; L101-F110 PolarHBondContact O-N 2.83Å; L101-I112 HydrophobicContact CD2-CD1 4.05Å; L101-I112 HydrophobicContact CG-CD1 3.94Å; L101-I112 HydrophobicContact CG-CG1 4.18Å; L101-P117 HydrophobicContact CD1-CB 4.02Å; L101-M119 HydrophobicContact CD1-SD 4.23Å
102V97.1Very high96.8Very high14 Ų1434 Ų349%0.08519%0.188CC..EExtended strand (participates in β ladder)trans-118.6125.8-178.9-167.90000110L23 K24 K26 V100 G107 R108 E109L23-V102 CarbonylContact C-O 3.6Å; L23-V102 WeakPolarHBondContact CA-O 3.31Å; K24-V102 HydrophobicContact CB-CB 4.16Å; K24-V102 PolarHBondContact N-O 3.16Å; K24-V102 PolarHBondContact O-N 3.19Å; K26-V102 HydrophobicContact CD-CG2 4.29Å; V100-V102 HydrophobicContact CG1-CG2 4.11Å; V102-G107 WeakPolarHBondContact CG1-O 2.94Å; V102-R108 CarbonylContact C-O 3.56Å; V102-R108 WeakPolarHBondContact CA-O 3.43Å; V102-E109 HydrophobicContact CG1-CG 4.38Å; V102-E109 HydrophobicContact CG2-CG 4.19Å
103C96.1Very high96.8Very high2 Ų235.3 Ų35.31%0.01420%0.2CC..  trans-59.5127.7172.6178.50000110.2S11 L14 E105 T106 G107 R108 F110S11-C103 PolarHBondContact OG-SG 3.25Å; L14-C103 HydrophobicContact CD1-CB 4.44Å; C103-E105 VanDerWaalsContact C-N 3.26Å; C103-E105 PolarHBondContact O-N 3.06Å; C103-T106 WeakPolarHBondContact CB-OG1 3.44Å; C103-T106 PolarHBondContact SG-N 3.4Å; C103-T106 VanDerWaalsContact SG-N 3.44Å; C103-T106 PolarHBondContact SG-OG1 3.35Å; C103-G107 WeakPolarHBondContact O-CA 3.28Å; C103-G107 PolarHBondContact O-N 3.43Å; C103-R108 HydrophobicContact CB-CB 4.14Å; C103-R108 PolarHBondContact N-O 3.1Å; C103-F110 HydrophobicContact CB-CE2 4.38Å
104P95.6Very high96.8Very high54 Ų5440 Ų4035%0.35123%0.226SC..THydrogen-bonded Turntrans-68.8-24.4-178.327.8-35.9000113.4P22P22-P104 WeakPolarHBondContact O-CG 3.27Å
105E94.9Very high96.7Very high85 Ų8540.7 Ų40.740%0.39723%0.233SC..THydrogen-bonded Turntrans-96.5-41.3-175.7-74.4171.4-102.400113.1V17 K18 V19 G20 C103V17-E105 WeakPolarHBondContact CG1-OE1 3.35Å; V17-E105 HydrophobicContact CG2-CB 4.32Å; K18-E105 PolarHBondContact N-OE1 3Å; K18-E105 PolarHBondContact N-OE2 2.89Å; V19-E105 WeakPolarHBondContact CA-OE1 3.46Å; V19-E105 WeakPolarHBondContact CB-OE1 3.22Å; V19-E105 PolarHBondContact N-OE1 3.21Å; G20-E105 PolarHBondContact N-OE1 3.25Å; C103-E105 VanDerWaalsContact C-N 3.26Å; C103-E105 PolarHBondContact O-N 3.06Å
106T93.1Very high96.7Very high60 Ų6045.2 Ų45.237%0.36826%0.256SS..THydrogen-bonded Turntrans-104-14-175.463.30000113.6S16 V17 C103 R108S16-T106 VanDerWaalsContact OG-CG2 3.25Å; S16-T106 WeakPolarHBondContact OG-CG2 3.23Å; V17-T106 HydrophobicContact CG2-CG2 3.6Å; C103-T106 WeakPolarHBondContact CB-OG1 3.44Å; C103-T106 PolarHBondContact SG-N 3.4Å; C103-T106 VanDerWaalsContact SG-N 3.44Å; C103-T106 PolarHBondContact SG-OG1 3.35Å; T106-R108 PolarHBondContact O-N 2.85Å; T106-R108 WeakPolarHBondContact OG1-CB 3.42Å; T106-R108 PolarHBondContact OG1-N 2.77Å
107G93.9Very high96.7Very high42 Ų4246.3 Ų46.343%0.43326%0.263SS..  trans704-170.700000114.1V102 C103 E109V102-G107 WeakPolarHBondContact CG1-O 2.94Å; C103-G107 WeakPolarHBondContact O-CA 3.28Å; C103-G107 PolarHBondContact O-N 3.43Å; G107-E109 PolarHBondContact O-N 2.91Å
108R93.4Very high96.6Very high47 Ų4747.7 Ų47.718%0.17727%0.271CS..  trans-56.3132.4176.1179.2-179.2177.7143.310.9110.3L14 V102 C103 T106 F110 L120 E125L14-R108 HydrophobicContact CD1-CB 4.09Å; L14-R108 HydrophobicContact CD1-CG 4.45Å; V102-R108 CarbonylContact C-O 3.56Å; V102-R108 WeakPolarHBondContact CA-O 3.43Å; C103-R108 HydrophobicContact CB-CB 4.14Å; C103-R108 PolarHBondContact N-O 3.1Å; T106-R108 PolarHBondContact O-N 2.85Å; T106-R108 WeakPolarHBondContact OG1-CB 3.42Å; T106-R108 PolarHBondContact OG1-N 2.77Å; R108-F110 HydrophobicContact CG-CE1 4.4Å; R108-F110 HydrophobicContact CG-CE2 4.28Å; R108-F110 HydrophobicContact CG-CZ 4.11Å; R108-L120 PolarHBondContact NH2-O 3.24Å; R108-E125 IonicContact CZ-OE1 2.69Å; R108-E125 IonicContact CZ-OE2 2.78Å; R108-E125 IonicContact NH1-OE1 2.81Å; R108-E125 PolarHBondContact NH1-OE1 3.01Å; R108-E125 IonicContact NH1-OE2 2.98Å; R108-E125 PolarHBondContact NH1-OE2 3.02Å; R108-E125 IonicContact NH2-OE1 3.11Å; R108-E125 IonicContact NH2-OE2 3.45Å; R108-E125 PolarHBondContact NH2-OE2 3.24Å
109E95.6Very high96.3Very high103 Ų10346.8 Ų46.848%0.48127%0.268SS..EExtended strand (participates in β ladder)trans-96.7137.3178.4-65.1-160.8151.700111K26 V100 L101 V102 G107K26-E109 IonicContact NZ-OE1 3.85Å; K26-E109 PolarHBondContact NZ-OE1 3.35Å; V100-E109 HydrophobicContact CG1-CB 3.54Å; V100-E109 HydrophobicContact CG1-CG 3.81Å; L101-E109 CarbonylContact O-C 3.59Å; L101-E109 WeakPolarHBondContact O-CA 3.46Å; V102-E109 HydrophobicContact CG1-CG 4.38Å; V102-E109 HydrophobicContact CG2-CG 4.19Å; G107-E109 PolarHBondContact O-N 2.91Å
110F96.6Very high95.9Very high4 Ų453.1 Ų53.12%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-120.7111.5172.8-54.4-86.8000107.9L14 L23 V100 L101 C103 R108 N118 M119L14-F110 HydrophobicContact CD1-CZ 4.1Å; L14-F110 HydrophobicContact CD2-CZ 4.42Å; L14-F110 HydrophobicContact CG-CZ 4.41Å; L23-F110 HydrophobicContact CD2-CE2 4.5Å; V100-F110 WeakPolarHBondContact CA-O 3.42Å; L101-F110 HydrophobicContact CB-CB 4.2Å; L101-F110 HydrophobicContact CB-CD2 4.48Å; L101-F110 PolarHBondContact N-O 3.17Å; L101-F110 PolarHBondContact O-N 2.83Å; C103-F110 HydrophobicContact CB-CE2 4.38Å; R108-F110 HydrophobicContact CG-CE1 4.4Å; R108-F110 HydrophobicContact CG-CE2 4.28Å; R108-F110 HydrophobicContact CG-CZ 4.11Å; F110-N118 WeakPolarHBondContact CB-O 3.48Å; F110-N118 WeakPolarHBondContact CD1-O 3.39Å; F110-M119 HydrophobicContact CB-SD 3.66Å; F110-M119 HydrophobicContact CD1-CE 4.16Å; F110-M119 HydrophobicContact CD1-SD 3.7Å; F110-M119 HydrophobicContact CD2-CE 4.18Å; F110-M119 HydrophobicContact CD2-SD 4.05Å; F110-M119 HydrophobicContact CE1-CE 4.14Å; F110-M119 HydrophobicContact CE1-SD 4.27Å; F110-M119 HydrophobicContact CE2-CE 4.18Å; F110-M119 HydrophobicContact CG-CE 4.15Å; F110-M119 HydrophobicContact CG-SD 3.54Å; F110-M119 VanDerWaalsContact CG-SD 3.54Å; F110-M119 HydrophobicContact CZ-CE 4.13Å
111T97.8Very high95.3Very high72 Ų7254.1 Ų54.144%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-70.5140.6-176.852.80000111N118T111-N118 PolarHBondContact O-N 3.07Å
112I98.5Very high94.4Very high1 Ų159.9 Ų59.91%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-105.5123.9168.9-53.7166.8000107M1 L25 V96 E98 G99 L101 I116 P117M1-I112 HydrophobicContact CB-CG2 4.28Å; M1-I112 HydrophobicContact CE-CD1 3.83Å; M1-I112 HydrophobicContact SD-CD1 4.24Å; L25-I112 HydrophobicContact CD1-CD1 3.87Å; V96-I112 HydrophobicContact CB-CD1 4.36Å; V96-I112 HydrophobicContact CG1-CD1 3.8Å; E98-I112 WeakPolarHBondContact CA-O 3.44Å; G99-I112 PolarHBondContact N-O 3.29Å; G99-I112 PolarHBondContact O-N 2.93Å; L101-I112 HydrophobicContact CD2-CD1 4.05Å; L101-I112 HydrophobicContact CG-CD1 3.94Å; L101-I112 HydrophobicContact CG-CG1 4.18Å; I112-I116 WeakPolarHBondContact CA-O 3.35Å; I112-P117 HydrophobicContact CG1-CB 4.26Å
113S98.2Very high92.9Very high57 Ų5768.1 Ų68.140%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-136.5137.2173.9-64.50000111M97 E98 G115 I116M97-S113 CarbonylContact O-C 3.49Å; E98-S113 WeakPolarHBondContact OE2-CA 3.22Å; E98-S113 PolarHBondContact OE2-OG 3.39Å; S113-G115 PolarHBondContact O-N 2.92Å; S113-G115 VanDerWaalsContact O-N 3.11Å; S113-I116 PolarHBondContact N-O 3.34Å; S113-I116 PolarHBondContact O-N 2.65Å
114N97.4Very high91.3Very high128 Ų12871.7 Ų71.768%0.68441%0.412SS*.THydrogen-bonded Turntrans49.534.3-172.3-62.2-56000112.9M97 E98 I116M97-N114 PolarHBondContact O-N 3.44Å; M97-N114 VanDerWaalsContact O-N 3.17Å; E98-N114 PolarHBondContact OE1-N 3.37Å; N114-I116 VanDerWaalsContact C-N 3.27Å; N114-I116 PolarHBondContact O-N 3.33Å
115G97Very high89.5Confident15 Ų1573.5 Ų73.516%0.15542%0.415CS..THydrogen-bonded Turntrans7311.2-177.700000116.1M1 V96 M97 S113M1-G115 VanDerWaalsContact CA-O 3.23Å; M1-G115 WeakPolarHBondContact CA-O 3.42Å; M1-G115 VanDerWaalsContact CB-O 3.3Å; M1-G115 WeakPolarHBondContact CB-O 3.27Å; M1-G115 VanDerWaalsContact N-CA 3.31Å; M1-G115 PolarHBondContact N-O 2.97Å; V96-G115 VanDerWaalsContact O-CA 3.28Å; V96-G115 WeakPolarHBondContact O-CA 3.46Å; M97-G115 PolarHBondContact O-N 3.34Å; S113-G115 PolarHBondContact O-N 2.92Å; S113-G115 VanDerWaalsContact O-N 3.11Å
116I97.4Very high89.2Confident121 Ų12172.9 Ų72.962%0.62142%0.416SS*.EExtended strand (participates in β ladder)trans-110.8118.4179.1-57.2173.2000109.1I112 S113 N114I112-I116 WeakPolarHBondContact CA-O 3.35Å; S113-I116 PolarHBondContact N-O 3.34Å; S113-I116 PolarHBondContact O-N 2.65Å; N114-I116 VanDerWaalsContact C-N 3.27Å; N114-I116 PolarHBondContact O-N 3.33Å
117P96.7Very high89Confident24 Ų2473.6 Ų73.616%0.15642%0.419CS..EExtended strand (participates in β ladder)trans-75130.9172.830.2-32.6000110.8M1 L9 L101 I112 M119M1-P117 HydrophobicContact CG-CG 4.37Å; M1-P117 HydrophobicContact SD-CB 4.14Å; M1-P117 HydrophobicContact SD-CG 3.89Å; L9-P117 HydrophobicContact CD1-CB 4.49Å; L9-P117 HydrophobicContact CD1-CG 4.04Å; L101-P117 HydrophobicContact CD1-CB 4.02Å; I112-P117 HydrophobicContact CG1-CB 4.26Å; P117-M119 HydrophobicContact CB-CG 4.2Å; P117-M119 HydrophobicContact CB-SD 4.43Å; P117-M119 PolarHBondContact O-N 3.29Å
118N96Very high88.7Confident81 Ų8175.3 Ų75.343%0.43342%0.418SS..  trans-85.798.3170.7-176.6-0.2000110.1F110 T111 L120F110-N118 WeakPolarHBondContact CB-O 3.48Å; F110-N118 WeakPolarHBondContact CD1-O 3.39Å; T111-N118 PolarHBondContact O-N 3.07Å; N118-L120 WeakPolarHBondContact OD1-CB 3.37Å; N118-L120 WeakPolarHBondContact OD1-CG 3.26Å; N118-L120 PolarHBondContact OD1-N 3.29Å
119M92.3Very high88.4Confident46 Ų4677 Ų7723%0.22743%0.432CS..  trans-100.617.2-178.9-60.5-64.4-6700113.3L23 L101 F110 P117L23-M119 HydrophobicContact CD1-CE 3.99Å; L101-M119 HydrophobicContact CD1-SD 4.23Å; F110-M119 HydrophobicContact CB-SD 3.66Å; F110-M119 HydrophobicContact CD1-CE 4.16Å; F110-M119 HydrophobicContact CD1-SD 3.7Å; F110-M119 HydrophobicContact CD2-CE 4.18Å; F110-M119 HydrophobicContact CD2-SD 4.05Å; F110-M119 HydrophobicContact CE1-CE 4.14Å; F110-M119 HydrophobicContact CE1-SD 4.27Å; F110-M119 HydrophobicContact CE2-CE 4.18Å; F110-M119 HydrophobicContact CG-CE 4.15Å; F110-M119 HydrophobicContact CG-SD 3.54Å; F110-M119 VanDerWaalsContact CG-SD 3.54Å; F110-M119 HydrophobicContact CZ-CE 4.13Å; P117-M119 HydrophobicContact CB-CG 4.2Å; P117-M119 HydrophobicContact CB-SD 4.43Å; P117-M119 PolarHBondContact O-N 3.29Å
120L91Very high88Confident138 Ų13875.4 Ų75.472%0.72343%0.429SS*.  trans-69.3139.5179.4-65.3174.6000111.3R108 N118R108-L120 PolarHBondContact NH2-O 3.24Å; N118-L120 WeakPolarHBondContact OD1-CB 3.37Å; N118-L120 WeakPolarHBondContact OD1-CG 3.26Å; N118-L120 PolarHBondContact OD1-N 3.29Å
121V84.3Confident87.4Confident42 Ų4280.1 Ų80.126%0.25546%0.457SS..  trans-125.7131-177.7178.60000108.9V13 L14 E125V13-V121 HydrophobicContact CG1-CG2 3.79Å; V13-V121 HydrophobicContact CG2-CG2 4.31Å; L14-V121 HydrophobicContact CD2-CB 4.39Å; L14-V121 HydrophobicContact CD2-CG1 3.8Å; L14-V121 HydrophobicContact CD2-CG2 3.62Å; V121-E125 HydrophobicContact CG1-CB 4.04Å
122N78.7Confident86.7Confident122 Ų12280.7 Ų80.765%0.65246%0.458SS*.  trans-80.5149.9174.6-69.1-39.4000110.2G124 E125N122-G124 PolarHBondContact O-N 3.2Å; N122-E125 PolarHBondContact N-OE2 3.05Å; N122-E125 PolarHBondContact O-N 3.23Å
123E66.8Low85.8Confident186 Ų18686.8 Ų86.887%0.86949%0.492SS*.THydrogen-bonded Turntrans-59.6-7.8-172.9-68.4-171.3119.200115.8K15K15-E123 PolarHBondContact NZ-O 3.29Å
124G62Low84.7Confident78 Ų7889.3 Ų89.380%0.80450%0.5SS*.THydrogen-bonded Turntrans-100.3-5177.300000116.3N122N122-G124 PolarHBondContact O-N 3.2Å
125E57.2Low83.6Confident91 Ų9185.8 Ų85.843%0.42548%0.484SS..  trans-1000178-60.4174121.200111.9R108 V121 N122R108-E125 IonicContact CZ-OE1 2.69Å; R108-E125 IonicContact CZ-OE2 2.78Å; R108-E125 IonicContact NH1-OE1 2.81Å; R108-E125 PolarHBondContact NH1-OE1 3.01Å; R108-E125 IonicContact NH1-OE2 2.98Å; R108-E125 PolarHBondContact NH1-OE2 3.02Å; R108-E125 IonicContact NH2-OE1 3.11Å; R108-E125 IonicContact NH2-OE2 3.45Å; R108-E125 PolarHBondContact NH2-OE2 3.24Å; V121-E125 HydrophobicContact CG1-CB 4.04Å; N122-E125 PolarHBondContact N-OE2 3.05Å; N122-E125 PolarHBondContact O-N 3.23Å

Retrieved 125 of 125 residues in 40.2 ms (Link to these results)

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