G4VBL9_SCHMA Loading...

Adenosine 5'-monophosphoramidase HINT3

AlphaFold DB , UniProt , Accession G4VBL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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
1M58.2Low81.3Confident168 Ų16899.6 Ų99.683%0.82850%0.497SS*.  0141.80-76.4171.67000108.6S5 M6M1-S5 WeakPolarHBondContact CE-OG 3.44Å; M1-M6 HydrophobicContact CB-CE 3.67Å; M1-M6 HydrophobicContact CB-CG 4.36Å; M1-M6 HydrophobicContact CE-CG 4.46Å
2K71.2Confident82.4Confident164 Ų164103.5 Ų103.571%0.71352%0.521SS*.  trans-67.7146.5174.5-64.8-177.8178.5-176.90109.4E4 S5 M6K2-E4 PolarHBondContact O-N 3.01Å; K2-S5 PolarHBondContact O-N 3.49Å; K2-S5 VanDerWaalsContact O-N 3.13Å; K2-S5 PolarHBondContact O-OG 3.15Å; K2-S5 VanDerWaalsContact O-OG 3.11Å; K2-M6 PolarHBondContact O-N 3.26Å
3R77.2Confident83.6Confident103 Ų10396.3 Ų96.339%0.38949%0.486SS..Hα-helixtrans-52.9-42.2-179-176.5173.8178.4159.8-4.2111.7S5 M6 L7 T63 E65 D66R3-S5 PolarHBondContact O-N 3.14Å; R3-M6 WeakPolarHBondContact O-CA 3.4Å; R3-M6 VanDerWaalsContact O-CB 3.31Å; R3-M6 WeakPolarHBondContact O-CB 3.33Å; R3-M6 PolarHBondContact O-N 2.74Å; R3-L7 HydrophobicContact CG-CD1 4.33Å; R3-L7 WeakPolarHBondContact O-CG 3.49Å; R3-L7 PolarHBondContact O-N 3.33Å; R3-T63 VanDerWaalsContact CZ-OG1 3.3Å; R3-T63 PolarHBondContact NH1-OG1 2.77Å; R3-T63 VanDerWaalsContact NH1-OG1 3.11Å; R3-T63 PolarHBondContact NH2-OG1 3.12Å; R3-E65 IonicContact CZ-OE2 3.81Å; R3-E65 IonicContact NH1-OE2 2.84Å; R3-E65 PolarHBondContact NH1-OE2 3.39Å; R3-E65 IonicContact NH2-OE2 3.86Å; R3-D66 IonicContact CZ-OD2 2.91Å; R3-D66 IonicContact NH2-OD1 3.64Å; R3-D66 PolarHBondContact NH2-OD1 2.99Å; R3-D66 VanDerWaalsContact NH2-OD1 3.08Å; R3-D66 IonicContact NH2-OD2 3.08Å; R3-D66 PolarHBondContact NH2-OD2 3.38Å
4E75.8Confident84.6Confident148 Ų14895.7 Ų95.769%0.69248%0.483SS*.Hα-helixtrans-53.1-46177.5-68.7167.3172.700113.4K2 M6 L7 T8K2-E4 PolarHBondContact O-N 3.01Å; E4-M6 PolarHBondContact O-N 2.74Å; E4-L7 PolarHBondContact O-N 3.36Å; E4-T8 PolarHBondContact O-N 2.63Å
5S72Confident85.5Confident46 Ų4690.7 Ų90.732%0.32246%0.457SS..Hα-helixtrans-72.4-14.8179.474.60000113.4M1 K2 R3 L7 T8M1-S5 WeakPolarHBondContact CE-OG 3.44Å; K2-S5 PolarHBondContact O-N 3.49Å; K2-S5 VanDerWaalsContact O-N 3.13Å; K2-S5 PolarHBondContact O-OG 3.15Å; K2-S5 VanDerWaalsContact O-OG 3.11Å; R3-S5 PolarHBondContact O-N 3.14Å; S5-L7 VanDerWaalsContact C-N 3.35Å; S5-T8 PolarHBondContact O-OG1 3.02Å
6M80.4Confident86.3Confident74 Ų7485.3 Ų85.337%0.36543%0.43SS..Hα-helixtrans-79.8-21.5170.1-58.6-173.2-179.800112.1M1 K2 R3 E4M1-M6 HydrophobicContact CB-CE 3.67Å; M1-M6 HydrophobicContact CB-CG 4.36Å; M1-M6 HydrophobicContact CE-CG 4.46Å; K2-M6 PolarHBondContact O-N 3.26Å; R3-M6 WeakPolarHBondContact O-CA 3.4Å; R3-M6 VanDerWaalsContact O-CB 3.31Å; R3-M6 WeakPolarHBondContact O-CB 3.33Å; R3-M6 PolarHBondContact O-N 2.74Å; E4-M6 PolarHBondContact O-N 2.74Å
7L87.4Confident87Confident49 Ų4981.5 Ų81.526%0.25741%0.414SS..Hα-helixtrans-90.1-15.7-175.6-62.4-179.9000114.3R3 E4 S5 K54 H55 I56R3-L7 HydrophobicContact CG-CD1 4.33Å; R3-L7 WeakPolarHBondContact O-CG 3.49Å; R3-L7 PolarHBondContact O-N 3.33Å; E4-L7 PolarHBondContact O-N 3.36Å; S5-L7 VanDerWaalsContact C-N 3.35Å; L7-K54 HydrophobicContact CD2-CD 4.39Å; L7-H55 VanDerWaalsContact CA-O 3.28Å; L7-H55 WeakPolarHBondContact CA-O 3.47Å; L7-H55 PolarHBondContact O-N 3.47Å; L7-I56 HydrophobicContact CD2-CD1 4.38Å; L7-I56 HydrophobicContact CD2-CG1 3.61Å
8T91.2Very high87.7Confident75 Ų7577.6 Ų77.646%0.4639%0.394SS..SBendtrans-68.4145.4178.457.90000111.3E4 S5 H55E4-T8 PolarHBondContact O-N 2.63Å; S5-T8 PolarHBondContact O-OG1 3.02Å; T8-H55 VanDerWaalsContact O-CB 3.22Å; T8-H55 WeakPolarHBondContact O-CB 3.13Å
9P93.3Very high88.2Confident61 Ų6173.6 Ų73.640%0.39637%0.374SS..  trans-52.3149.6173.3-25.535.8000112.3C16 Y20P9-C16 HydrophobicContact CB-CB 4.49Å; P9-Y20 HydrophobicContact CB-CD2 4.24Å; P9-Y20 HydrophobicContact CB-CE2 3.66Å; P9-Y20 HydrophobicContact CG-CD2 4.29Å; P9-Y20 HydrophobicContact CG-CE1 4.48Å; P9-Y20 HydrophobicContact CG-CE2 3.31Å; P9-Y20 VanDerWaalsContact CG-CZ 3.42Å; P9-Y20 WeakPolarHBondContact CG-OH 3.45Å
10K94.6Very high88.7Confident66 Ų6675.6 Ų75.629%0.28738%0.377SS..  trans-119.7135.8179-59.3-169.2179-65.40110.9D12 C13 C16 H55K10-D12 VanDerWaalsContact C-N 3.32Å; K10-D12 WeakPolarHBondContact CB-OD1 3.35Å; K10-D12 PolarHBondContact O-N 2.98Å; K10-C13 HydrophobicContact CB-CB 3.87Å; K10-C13 PolarHBondContact O-N 2.91Å; K10-C16 PolarHBondContact N-SG 2.65Å; K10-C16 VanDerWaalsContact N-SG 3.39Å; K10-C16 WeakPolarHBondContact O-CB 3.18Å; K10-H55 WeakPolarHBondContact CD-NE2 3.33Å; K10-H55 WeakPolarHBondContact CE-CD2 3.34Å; K10-H55 WeakPolarHBondContact CE-NE2 3.29Å; K10-H55 HydrophobicContact CG-CB 4.5Å
11D92.6Very high89Confident142 Ų14274.6 Ų74.676%0.75939%0.387SS*.THydrogen-bonded Turntrans-71.7-26.4-179.1-66.2-39.4000113.1C13 K22D11-C13 VanDerWaalsContact C-N 3.29Å; D11-C13 PolarHBondContact O-N 2.95Å; D11-K22 IonicContact OD1-NZ 3.16Å
12D95.3Very high90.8Very high146 Ų14673.1 Ų73.178%0.78138%0.376SS*.THydrogen-bonded Turntrans-86.96.617768.5-22.7000113.6K10K10-D12 VanDerWaalsContact C-N 3.32Å; K10-D12 WeakPolarHBondContact CB-OD1 3.35Å; K10-D12 PolarHBondContact O-N 2.98Å
13C97.8Very high92Very high10 Ų1067.3 Ų67.37%0.06835%0.354CS..  trans-107.4112.5-176.9-178.80000111.9K10 D11 F15 C16 S17K10-C13 HydrophobicContact CB-CB 3.87Å; K10-C13 PolarHBondContact O-N 2.91Å; D11-C13 VanDerWaalsContact C-N 3.29Å; D11-C13 PolarHBondContact O-N 2.95Å; C13-F15 VanDerWaalsContact C-N 3.26Å; C13-F15 PolarHBondContact O-N 3.02Å; C13-C16 HydrophobicContact CB-CB 3.89Å; C13-C16 WeakPolarHBondContact O-CB 3.5Å; C13-C16 PolarHBondContact O-N 3.09Å; C13-S17 PolarHBondContact O-N 3.28Å; C13-S17 PolarHBondContact O-OG 3.07Å
14I97.8Very high92.9Very high88 Ų8870.6 Ų70.645%0.45138%0.379SS..Hα-helixtrans-57.2-36.2178.7-174.259.4000113.1S17 I18 T23 V104I14-S17 WeakPolarHBondContact O-CB 3.22Å; I14-S17 PolarHBondContact O-N 2.99Å; I14-I18 HydrophobicContact CG1-CD1 4.21Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.19Å; I14-I18 PolarHBondContact O-N 3.26Å; I14-T23 HydrophobicContact CD1-CG2 3.96Å; I14-V104 HydrophobicContact CG2-CG1 3.87Å; I14-V104 HydrophobicContact CG2-CG2 4.03Å
15F98.5Very high93.9Very high20 Ų2066.3 Ų66.39%0.08836%0.36CS..Hα-helixtrans-76.1-28.6178.5-74.56.1000112.8C13 I18 A19 F37 Q49 V51 V104 H106 H108C13-F15 VanDerWaalsContact C-N 3.26Å; C13-F15 PolarHBondContact O-N 3.02Å; F15-I18 HydrophobicContact CD1-CD1 3.9Å; F15-I18 HydrophobicContact CE1-CD1 4.25Å; F15-A19 WeakPolarHBondContact O-CB 3.41Å; F15-A19 PolarHBondContact O-N 3.27Å; F15-F37 HydrophobicContact CD1-CE2 4.39Å; F15-F37 AromaticContact CD1-CZ 3.81Å; F15-F37 HydrophobicContact CD1-CZ 3.81Å; F15-F37 HydrophobicContact CD2-CZ 4.38Å; F15-F37 AromaticContact CE1-CE2 3.94Å; F15-F37 HydrophobicContact CE1-CE2 3.94Å; F15-F37 AromaticContact CE1-CZ 3.7Å; F15-F37 HydrophobicContact CE1-CZ 3.7Å; F15-F37 HydrophobicContact CE2-CZ 4.28Å; F15-F37 HydrophobicContact CG-CZ 4.16Å; F15-F37 HydrophobicContact CZ-CE2 4.28Å; F15-F37 AromaticContact CZ-CZ 3.95Å; F15-F37 HydrophobicContact CZ-CZ 3.95Å; F15-Q49 HydrophobicContact CZ-CG 4.44Å; F15-V51 HydrophobicContact CD2-CG1 3.75Å; F15-V51 HydrophobicContact CE2-CG1 4.18Å; F15-V51 HydrophobicContact CG-CG1 4.38Å; F15-V104 HydrophobicContact CB-CG1 4.22Å; F15-V104 HydrophobicContact CD1-CG1 3.94Å; F15-V104 HydrophobicContact CD1-CG2 4.37Å; F15-V104 HydrophobicContact CD2-CB 4.12Å; F15-V104 HydrophobicContact CD2-CG1 3.68Å; F15-V104 HydrophobicContact CE1-CB 4.32Å; F15-V104 HydrophobicContact CE1-CG1 4.22Å; F15-V104 HydrophobicContact CE1-CG2 3.87Å; F15-V104 HydrophobicContact CE2-CB 3.87Å; F15-V104 HydrophobicContact CE2-CG1 3.96Å; F15-V104 HydrophobicContact CE2-CG2 4.2Å; F15-V104 HydrophobicContact CG-CB 4.45Å; F15-V104 HydrophobicContact CG-CG1 3.67Å; F15-V104 HydrophobicContact CZ-CB 3.99Å; F15-V104 HydrophobicContact CZ-CG1 4.23Å; F15-V104 HydrophobicContact CZ-CG2 3.78Å; F15-H106 HydrophobicContact CB-CB 3.68Å; F15-H106 HydrophobicContact CD2-CB 3.99Å; F15-H106 HydrophobicContact CG-CB 4.25Å; F15-H108 HydrophobicContact CD2-CB 3.99Å; F15-H108 HydrophobicContact CE2-CB 3.56Å; F15-H108 AromaticContact CE2-CG 3.55Å; F15-H108 AromaticContact CE2-ND1 3.51Å
16C98.4Very high95.1Very high4 Ų468.3 Ų68.33%0.02737%0.37CS..Hα-helixtrans-63.5-47.5164.6-70.10000110P9 K10 C13 I18 A19 Y20 H55 H106P9-C16 HydrophobicContact CB-CB 4.49Å; K10-C16 PolarHBondContact N-SG 2.65Å; K10-C16 VanDerWaalsContact N-SG 3.39Å; K10-C16 WeakPolarHBondContact O-CB 3.18Å; C13-C16 HydrophobicContact CB-CB 3.89Å; C13-C16 WeakPolarHBondContact O-CB 3.5Å; C13-C16 PolarHBondContact O-N 3.09Å; C16-I18 VanDerWaalsContact C-N 3.32Å; C16-I18 PolarHBondContact O-N 3.11Å; C16-A19 PolarHBondContact O-N 3.27Å; C16-Y20 VanDerWaalsContact O-CD2 3.28Å; C16-Y20 WeakPolarHBondContact O-CD2 3.49Å; C16-Y20 PolarHBondContact O-N 3.46Å; C16-H55 PolarHBondContact SG-ND1 2.88Å; C16-H55 VanDerWaalsContact SG-ND1 3.38Å; C16-H106 PolarHBondContact SG-ND1 2.85Å
17S98.3Very high96Very high22 Ų2267.2 Ų67.215%0.15437%0.365CS..Hα-helixtrans-58.5-42.4178.5-63.40000112.4C13 I14 G21 K22C13-S17 PolarHBondContact O-N 3.28Å; C13-S17 PolarHBondContact O-OG 3.07Å; I14-S17 WeakPolarHBondContact O-CB 3.22Å; I14-S17 PolarHBondContact O-N 2.99Å; S17-G21 PolarHBondContact O-N 3.02Å; S17-K22 WeakPolarHBondContact O-CA 3.15Å; S17-K22 WeakPolarHBondContact O-CB 3.37Å; S17-K22 PolarHBondContact O-N 3.37Å
18I98.4Very high96.5Very high10 Ų1070.9 Ų70.95%0.05138%0.375CS..Hα-helixtrans-62.9-50.5174.1-65.9167.4000110.7I14 F15 C16 Y20 G21 T23 Q25 F37I14-I18 HydrophobicContact CG1-CD1 4.21Å; I14-I18 VanDerWaalsContact O-CG1 3.3Å; I14-I18 WeakPolarHBondContact O-CG1 3.19Å; I14-I18 PolarHBondContact O-N 3.26Å; F15-I18 HydrophobicContact CD1-CD1 3.9Å; F15-I18 HydrophobicContact CE1-CD1 4.25Å; C16-I18 VanDerWaalsContact C-N 3.32Å; C16-I18 PolarHBondContact O-N 3.11Å; I18-Y20 PolarHBondContact O-N 3.37Å; I18-Y20 VanDerWaalsContact O-N 3.12Å; I18-G21 PolarHBondContact O-N 2.88Å; I18-T23 HydrophobicContact CG1-CG2 3.96Å; I18-T23 WeakPolarHBondContact CG1-OG1 3.33Å; I18-Q25 HydrophobicContact CD1-CB 4.19Å; I18-Q25 HydrophobicContact CD1-CG 4.12Å; I18-Q25 HydrophobicContact CG1-CB 3.93Å; I18-Q25 HydrophobicContact CG1-CG 4.26Å; I18-Q25 HydrophobicContact CG2-CB 4.16Å; I18-Q25 HydrophobicContact CG2-CG 3.92Å; I18-F37 HydrophobicContact CD1-CD2 4.25Å; I18-F37 HydrophobicContact CD1-CE2 3.77Å; I18-F37 HydrophobicContact CD1-CZ 3.92Å; I18-F37 HydrophobicContact CG2-CB 4.5Å; I18-F37 HydrophobicContact CG2-CD1 3.6Å; I18-F37 HydrophobicContact CG2-CD2 4.34Å; I18-F37 HydrophobicContact CG2-CE1 3.8Å; I18-F37 HydrophobicContact CG2-CG 3.9Å; I18-F37 HydrophobicContact CG2-CZ 4.27Å
19A98Very high96.8Very high3 Ų369.2 Ų69.23%0.02536%0.362CS..Hα-helixtrans-63-20.2-176.600000114.4F15 C16 V35 V51 K53F15-A19 WeakPolarHBondContact O-CB 3.41Å; F15-A19 PolarHBondContact O-N 3.27Å; C16-A19 PolarHBondContact O-N 3.27Å; A19-V35 HydrophobicContact CB-CG2 3.92Å; A19-V51 HydrophobicContact CB-CG2 4.33Å; A19-K53 HydrophobicContact CB-CG 4.31Å
20Y96.8Very high97.1Very high112 Ų11270.9 Ų70.944%0.43936%0.364SS..THydrogen-bonded Turntrans-108.815.8175.8-72.7-80.9000113.4P9 C16 I18 K22 K53P9-Y20 HydrophobicContact CB-CD2 4.24Å; P9-Y20 HydrophobicContact CB-CE2 3.66Å; P9-Y20 HydrophobicContact CG-CD2 4.29Å; P9-Y20 HydrophobicContact CG-CE1 4.48Å; P9-Y20 HydrophobicContact CG-CE2 3.31Å; P9-Y20 VanDerWaalsContact CG-CZ 3.42Å; P9-Y20 WeakPolarHBondContact CG-OH 3.45Å; C16-Y20 VanDerWaalsContact O-CD2 3.28Å; C16-Y20 WeakPolarHBondContact O-CD2 3.49Å; C16-Y20 PolarHBondContact O-N 3.46Å; I18-Y20 PolarHBondContact O-N 3.37Å; I18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 3.17Å; Y20-K53 HydrophobicContact CE2-CB 4.44Å
21G95.1Very high97.2Very high56 Ų5670.1 Ų70.158%0.57737%0.365SS*.THydrogen-bonded Turntrans67.221.9174.100000114.9S17 I18 T23S17-G21 PolarHBondContact O-N 3.02Å; I18-G21 PolarHBondContact O-N 2.88Å; G21-T23 VanDerWaalsContact C-N 3.27Å; G21-T23 PolarHBondContact O-N 2.86Å
22K96.6Very high97.4Very high136 Ų13670.2 Ų70.259%0.59137%0.366SS*.  trans-8814.8179.7-56.2-177.3-179.9-179.90113.1D11 S17 Y20D11-K22 IonicContact OD1-NZ 3.16Å; S17-K22 WeakPolarHBondContact O-CA 3.15Å; S17-K22 WeakPolarHBondContact O-CB 3.37Å; S17-K22 PolarHBondContact O-N 3.37Å; Y20-K22 VanDerWaalsContact C-N 3.26Å; Y20-K22 PolarHBondContact O-N 3.17Å
23T96.7Very high97.5Very high42 Ų4268.5 Ų68.526%0.25836%0.356SS..SBendtrans-139.7169.4-17875.70000110.6I14 I18 G21 Q25I14-T23 HydrophobicContact CD1-CG2 3.96Å; I18-T23 HydrophobicContact CG1-CG2 3.96Å; I18-T23 WeakPolarHBondContact CG1-OG1 3.33Å; G21-T23 VanDerWaalsContact C-N 3.27Å; G21-T23 PolarHBondContact O-N 2.86Å; T23-Q25 VanDerWaalsContact C-N 3.25Å; T23-Q25 PolarHBondContact O-N 2.81Å; T23-Q25 WeakPolarHBondContact OG1-CB 3.47Å; T23-Q25 PolarHBondContact OG1-N 2.96Å
24N95.9Very high97.6Very high172 Ų17268.2 Ų68.292%0.9235%0.354SS*.SBendtrans-81.20.2173.6-64.5-21.9000113.7T26N24-T26 PolarHBondContact O-N 2.97Å
25Q97.3Very high97.6Very high59 Ų5964 Ų6428%0.27633%0.333SS..PPolyproline II helixtrans-66.8121.4177.3178.959.861.800109.7I18 T23 I27 F37I18-Q25 HydrophobicContact CD1-CB 4.19Å; I18-Q25 HydrophobicContact CD1-CG 4.12Å; I18-Q25 HydrophobicContact CG1-CB 3.93Å; I18-Q25 HydrophobicContact CG1-CG 4.26Å; I18-Q25 HydrophobicContact CG2-CB 4.16Å; I18-Q25 HydrophobicContact CG2-CG 3.92Å; T23-Q25 VanDerWaalsContact C-N 3.25Å; T23-Q25 PolarHBondContact O-N 2.81Å; T23-Q25 WeakPolarHBondContact OG1-CB 3.47Å; T23-Q25 PolarHBondContact OG1-N 2.96Å; Q25-I27 PolarHBondContact O-N 3.29Å; Q25-F37 HydrophobicContact CG-CB 3.81Å; Q25-F37 HydrophobicContact CG-CD2 3.8Å; Q25-F37 HydrophobicContact CG-CG 3.98Å
26T97.5Very high97.6Very high88 Ų8863.1 Ų63.154%0.5433%0.329SS..PPolyproline II helixtrans-68.5127.6175.7-52.60000110.6N24 F37N24-T26 PolarHBondContact O-N 2.97Å; T26-F37 WeakPolarHBondContact O-CB 3.33Å
27I98.3Very high97.6Very high50 Ų5063.1 Ų63.126%0.25633%0.328SS..EExtended strand (participates in β ladder)trans-79.7119.8167.8-63173000107.9Q25 F29 E30 V35Q25-I27 PolarHBondContact O-N 3.29Å; I27-F29 WeakPolarHBondContact CG2-O 3.48Å; I27-E30 HydrophobicContact CG2-CB 3.95Å; I27-V35 HydrophobicContact CD1-CG1 4.18Å; I27-V35 HydrophobicContact CG2-CB 4.15Å; I27-V35 HydrophobicContact CG2-CG1 4.41Å
28R98.1Very high97.6Very high127 Ų12763.9 Ų63.948%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-80.7-34.9179.7-66-63.7-172.4163.40.9112.5I36 D38 Y80R28-I36 WeakPolarHBondContact CB-O 3.5Å; R28-I36 PolarHBondContact N-O 3.25Å; R28-D38 IonicContact CZ-OD1 3.45Å; R28-D38 IonicContact CZ-OD2 2.72Å; R28-D38 IonicContact NE-OD1 3.15Å; R28-D38 PolarHBondContact NE-OD1 3.17Å; R28-D38 IonicContact NE-OD2 3.76Å; R28-D38 PolarHBondContact NE-OD2 3.32Å; R28-D38 IonicContact NH2-OD1 3.35Å; R28-D38 PolarHBondContact NH2-OD1 2.89Å; R28-D38 IonicContact NH2-OD2 2.76Å; R28-D38 PolarHBondContact NH2-OD2 2.88Å; R28-Y80 HydrophobicContact CB-CE1 4.49Å; R28-Y80 HydrophobicContact CB-CE2 3.97Å; R28-Y80 WeakPolarHBondContact CB-OH 3.34Å
29F98.3Very high97.6Very high40 Ų4064.9 Ų64.918%0.17534%0.336CS..EExtended strand (participates in β ladder)trans-155.2143.1-179.6-170.1-111.3000109.6I27 T31 V35 I36 N79 Y80 Q84I27-F29 WeakPolarHBondContact CG2-O 3.48Å; F29-T31 HydrophobicContact CE1-CG2 3.95Å; F29-V35 CarbonylContact O-C 3.54Å; F29-V35 WeakPolarHBondContact O-CA 3.32Å; F29-I36 HydrophobicContact CB-CB 4.13Å; F29-I36 HydrophobicContact CB-CD1 4.33Å; F29-I36 HydrophobicContact CB-CG1 4.45Å; F29-I36 HydrophobicContact CD1-CD1 4.14Å; F29-I36 PolarHBondContact N-O 3.22Å; F29-I36 PolarHBondContact O-N 3.46Å; F29-N79 WeakPolarHBondContact CZ-ND2 3.2Å; F29-Y80 HydrophobicContact CB-CD2 3.53Å; F29-Y80 HydrophobicContact CB-CE2 4.1Å; F29-Y80 HydrophobicContact CB-CG 4.05Å; F29-Y80 HydrophobicContact CD2-CD2 4.31Å; F29-Y80 AromaticContact CG-CD2 3.97Å; F29-Y80 HydrophobicContact CG-CD2 3.97Å; F29-Y80 HydrophobicContact CG-CG 4.41Å; F29-Q84 HydrophobicContact CD2-CG 4.18Å; F29-Q84 HydrophobicContact CE2-CG 4.48Å
30E98Very high97.5Very high96 Ų9672.4 Ų72.445%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-141.2141.9-176-179.5165.2-172.400110.4I27 V35 K53I27-E30 HydrophobicContact CG2-CB 3.95Å; E30-V35 HydrophobicContact CB-CG1 4.46Å; E30-V35 HydrophobicContact CG-CG1 4.01Å; E30-K53 WeakPolarHBondContact OE1-CE 3.49Å; E30-K53 IonicContact OE1-NZ 3.97Å; E30-K53 PolarHBondContact OE1-NZ 3.18Å
31T97.5Very high97.5Very high49 Ų4972.1 Ų72.130%0.30138%0.376SS..  trans-121.5-176.6167.265.10000108.3F29 D33 L34 K53F29-T31 HydrophobicContact CE1-CG2 3.95Å; T31-D33 PolarHBondContact O-N 3.13Å; T31-D33 PolarHBondContact OG1-N 3.31Å; T31-L34 PolarHBondContact N-O 2.95Å; T31-L34 WeakPolarHBondContact OG1-CB 3.43Å; T31-L34 PolarHBondContact OG1-N 2.81Å; T31-L34 PolarHBondContact OG1-O 3.42Å; T31-K53 PolarHBondContact O-NZ 3.33Å
32N96.8Very high97.6Very high145 Ų14573.2 Ų73.278%0.77537%0.373SS*.SBendtrans-56-38.8174.6-69.1-17.6000112.1K53N32-K53 VanDerWaalsContact O-CD 3.32Å; N32-K53 WeakPolarHBondContact O-CD 3.32Å; N32-K53 WeakPolarHBondContact O-CE 3.34Å; N32-K53 PolarHBondContact O-NZ 3.06Å; N32-K53 VanDerWaalsContact O-NZ 3.09Å
33D97.5Very high97.7Very high109 Ų10972 Ų7258%0.58337%0.368SS*.SBendtrans-117-12.5-169.1-63.6-61.3000115.2T31 P52 K53T31-D33 PolarHBondContact O-N 3.13Å; T31-D33 PolarHBondContact OG1-N 3.31Å; D33-P52 CarbonylContact O-C 3.52Å; D33-P52 WeakPolarHBondContact O-CA 3.18Å; D33-K53 PolarHBondContact O-N 3.28Å
34L98.8Very high97.7Very high5 Ų571 Ų713%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-130.6146.9-173.6-55171000111.4T31 V51 P52 L69 D72 M73 C76T31-L34 PolarHBondContact N-O 2.95Å; T31-L34 WeakPolarHBondContact OG1-CB 3.43Å; T31-L34 PolarHBondContact OG1-N 2.81Å; T31-L34 PolarHBondContact OG1-O 3.42Å; L34-V51 WeakPolarHBondContact CA-O 3.49Å; L34-P52 HydrophobicContact CD2-CB 4.03Å; L34-L69 HydrophobicContact CD2-CD1 3.94Å; L34-D72 HydrophobicContact CD1-CB 4.01Å; L34-D72 WeakPolarHBondContact CD1-O 3.44Å; L34-M73 HydrophobicContact CD1-CG 4.15Å; L34-M73 HydrophobicContact CD2-CG 3.66Å; L34-C76 HydrophobicContact CD1-CB 3.63Å
35V98.7Very high97.8Very high0 Ų068.2 Ų68.20%035%0.345CS..EExtended strand (participates in β ladder)trans-126150.1168.1-56.20000110.5A19 I27 F29 E30 F37 C50 V51 K53A19-V35 HydrophobicContact CB-CG2 3.92Å; I27-V35 HydrophobicContact CD1-CG1 4.18Å; I27-V35 HydrophobicContact CG2-CB 4.15Å; I27-V35 HydrophobicContact CG2-CG1 4.41Å; F29-V35 CarbonylContact O-C 3.54Å; F29-V35 WeakPolarHBondContact O-CA 3.32Å; E30-V35 HydrophobicContact CB-CG1 4.46Å; E30-V35 HydrophobicContact CG-CG1 4.01Å; V35-F37 HydrophobicContact CG2-CD1 4.17Å; V35-F37 HydrophobicContact CG2-CE1 4.38Å; V35-C50 WeakPolarHBondContact O-CA 3.26Å; V35-V51 HydrophobicContact CG2-CG2 3.41Å; V35-V51 VanDerWaalsContact CG2-CG2 3.41Å; V35-V51 PolarHBondContact N-O 3.48Å; V35-V51 PolarHBondContact O-N 3.07Å; V35-K53 HydrophobicContact CG1-CG 4.5Å
36I98.9Very high97.9Very high0 Ų068.6 Ų68.60%034%0.344CS..EExtended strand (participates in β ladder)trans-119.5133.2171.7-58.9-178.9000108.8R28 F29 F48 Q49 C50 Y80 I111R28-I36 WeakPolarHBondContact CB-O 3.5Å; R28-I36 PolarHBondContact N-O 3.25Å; F29-I36 HydrophobicContact CB-CB 4.13Å; F29-I36 HydrophobicContact CB-CD1 4.33Å; F29-I36 HydrophobicContact CB-CG1 4.45Å; F29-I36 HydrophobicContact CD1-CD1 4.14Å; F29-I36 PolarHBondContact N-O 3.22Å; F29-I36 PolarHBondContact O-N 3.46Å; I36-F48 HydrophobicContact CG2-CB 3.82Å; I36-F48 HydrophobicContact CG2-CG 4.32Å; I36-Q49 VanDerWaalsContact CA-O 3.27Å; I36-Q49 WeakPolarHBondContact CA-O 3.35Å; I36-C50 HydrophobicContact CD1-CB 4.49Å; I36-C50 HydrophobicContact CG1-CB 3.96Å; I36-Y80 HydrophobicContact CD1-CD1 4.11Å; I36-Y80 HydrophobicContact CD1-CG 4.02Å; I36-Y80 HydrophobicContact CG2-CD1 4.03Å; I36-Y80 HydrophobicContact CG2-CE1 4.12Å; I36-I111 HydrophobicContact CD1-CD1 4.22Å
37F98.8Very high97.9Very high4 Ų464.8 Ų64.82%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-144.4164.7175.558.1-87.5000110.7F15 I18 Q25 T26 V35 F48 Q49 V51F15-F37 HydrophobicContact CD1-CE2 4.39Å; F15-F37 AromaticContact CD1-CZ 3.81Å; F15-F37 HydrophobicContact CD1-CZ 3.81Å; F15-F37 HydrophobicContact CD2-CZ 4.38Å; F15-F37 AromaticContact CE1-CE2 3.94Å; F15-F37 HydrophobicContact CE1-CE2 3.94Å; F15-F37 AromaticContact CE1-CZ 3.7Å; F15-F37 HydrophobicContact CE1-CZ 3.7Å; F15-F37 HydrophobicContact CE2-CZ 4.28Å; F15-F37 HydrophobicContact CG-CZ 4.16Å; F15-F37 HydrophobicContact CZ-CE2 4.28Å; F15-F37 AromaticContact CZ-CZ 3.95Å; F15-F37 HydrophobicContact CZ-CZ 3.95Å; I18-F37 HydrophobicContact CD1-CD2 4.25Å; I18-F37 HydrophobicContact CD1-CE2 3.77Å; I18-F37 HydrophobicContact CD1-CZ 3.92Å; I18-F37 HydrophobicContact CG2-CB 4.5Å; I18-F37 HydrophobicContact CG2-CD1 3.6Å; I18-F37 HydrophobicContact CG2-CD2 4.34Å; I18-F37 HydrophobicContact CG2-CE1 3.8Å; I18-F37 HydrophobicContact CG2-CG 3.9Å; I18-F37 HydrophobicContact CG2-CZ 4.27Å; Q25-F37 HydrophobicContact CG-CB 3.81Å; Q25-F37 HydrophobicContact CG-CD2 3.8Å; Q25-F37 HydrophobicContact CG-CG 3.98Å; T26-F37 WeakPolarHBondContact O-CB 3.33Å; V35-F37 HydrophobicContact CG2-CD1 4.17Å; V35-F37 HydrophobicContact CG2-CE1 4.38Å; F37-F48 CarbonylContact O-C 3.56Å; F37-F48 WeakPolarHBondContact O-CA 3.45Å; F37-Q49 HydrophobicContact CD2-CB 4.25Å; F37-Q49 HydrophobicContact CE1-CB 4.06Å; F37-Q49 HydrophobicContact CE2-CB 3.74Å; F37-Q49 HydrophobicContact CE2-CG 4.07Å; F37-Q49 HydrophobicContact CZ-CB 3.63Å; F37-Q49 HydrophobicContact CZ-CG 4.29Å; F37-Q49 PolarHBondContact N-O 2.73Å; F37-Q49 PolarHBondContact O-N 3.22Å; F37-V51 HydrophobicContact CE1-CB 4.46Å; F37-V51 HydrophobicContact CE1-CG1 3.77Å; F37-V51 HydrophobicContact CE1-CG2 3.8Å; F37-V51 HydrophobicContact CZ-CG1 4.04Å
38D98.5Very high98Very high39 Ų3962.6 Ų62.621%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-66.9139178.4-57.7-62.6000111.3R28 F48R28-D38 IonicContact CZ-OD1 3.45Å; R28-D38 IonicContact CZ-OD2 2.72Å; R28-D38 IonicContact NE-OD1 3.15Å; R28-D38 PolarHBondContact NE-OD1 3.17Å; R28-D38 IonicContact NE-OD2 3.76Å; R28-D38 PolarHBondContact NE-OD2 3.32Å; R28-D38 IonicContact NH2-OD1 3.35Å; R28-D38 PolarHBondContact NH2-OD1 2.89Å; R28-D38 IonicContact NH2-OD2 2.76Å; R28-D38 PolarHBondContact NH2-OD2 2.88Å; D38-F48 WeakPolarHBondContact OD1-CD1 3.26Å; D38-F48 VanDerWaalsContact OD1-CE1 3.26Å; D38-F48 WeakPolarHBondContact OD1-CE1 3.49Å
39D98.2Very high98Very high30 Ų3056.7 Ų56.716%0.1629%0.287CS..  trans-66135.2166.8-171.1-78.7000109.7L41 H47 Q49D39-L41 PolarHBondContact O-N 2.72Å; D39-L41 WeakPolarHBondContact OD1-CA 3.35Å; D39-L41 PolarHBondContact OD1-N 2.76Å; D39-H47 HydrophobicContact CB-CB 4.13Å; D39-H47 WeakPolarHBondContact CB-ND1 3.4Å; D39-H47 WeakPolarHBondContact CB-O 3.47Å; D39-H47 PolarHBondContact N-O 3.29Å; D39-H47 IonicContact OD1-CE1 3.77Å; D39-H47 IonicContact OD1-ND1 3.66Å; D39-H47 IonicContact OD2-CE1 3.32Å; D39-H47 PolarHBondContact OD2-CE1 2.69Å; D39-H47 VanDerWaalsContact OD2-CE1 3.32Å; D39-H47 IonicContact OD2-ND1 3.84Å; D39-H47 IonicContact OD2-NE2 3.71Å; D39-Q49 HydrophobicContact CB-CG 4.28Å; D39-Q49 PolarHBondContact OD2-NE2 3.29Å
40H96.2Very high98Very high162 Ų16254.8 Ų54.875%0.7528%0.279SS*.SBendtrans-66.6-23.7-178.6177.560.2000113.4
41L95.9Very high98.1Very high105 Ų10550.2 Ų50.255%0.5526%0.257SS..SBendtrans-127.370.6179.6-65.7176.5000110D39 K43D39-L41 PolarHBondContact O-N 2.72Å; D39-L41 WeakPolarHBondContact OD1-CA 3.35Å; D39-L41 PolarHBondContact OD1-N 2.76Å; L41-K43 WeakPolarHBondContact O-CE 3.44Å; L41-K43 WeakPolarHBondContact O-CG 3.46Å; L41-K43 PolarHBondContact O-N 3.45Å
42P97.5Very high98.1Very high79 Ų7947.9 Ų47.951%0.51324%0.243SC..  trans-56.6137.1-173.523.5-33.7000112.4H47P42-H47 HydrophobicContact CB-CB 3.91Å
43K97.2Very high98.2Very high112 Ų11242.7 Ų42.749%0.48721%0.214SC..SBendtrans-117.410.7-178.9-58.7-58.5178.2-169.80113.4L41 H47 F124L41-K43 WeakPolarHBondContact O-CE 3.44Å; L41-K43 WeakPolarHBondContact O-CG 3.46Å; L41-K43 PolarHBondContact O-N 3.45Å; K43-H47 PolarHBondContact N-ND1 3.35Å; K43-F124 HydrophobicContact CB-CD2 4.3Å; K43-F124 HydrophobicContact CB-CE2 3.7Å; K43-F124 HydrophobicContact CB-CZ 4.33Å; K43-F124 HydrophobicContact CG-CE2 3.74Å; K43-F124 HydrophobicContact CG-CZ 4.33Å
44A98.1Very high98.1Very high21 Ų2140.9 Ų40.917%0.17420%0.2CC..SBendtrans-152.3173.1172.400000107.9Y46 L112 M118A44-Y46 PolarHBondContact O-N 2.76Å; A44-L112 HydrophobicContact CB-CB 4.1Å; A44-L112 HydrophobicContact CB-CD1 4.38Å; A44-M118 HydrophobicContact CB-CE 4.39Å; A44-M118 HydrophobicContact CB-CG 3.79Å; A44-M118 HydrophobicContact CB-SD 4.04Å
45Q98Very high98.1Very high112 Ų11241 Ų4152%0.52320%0.201SC..SBendtrans-52.9-41.9175.6176.4177.5-17.600111.7
46Y98.6Very high98Very high68 Ų6841.4 Ų41.427%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-121.1126.7171.8-57-64.6000108.3A44 F48 M85 L87 F92 L112 G113A44-Y46 PolarHBondContact O-N 2.76Å; Y46-F48 HydrophobicContact CD1-CZ 4.14Å; Y46-F48 HydrophobicContact CG-CE2 4.47Å; Y46-F48 HydrophobicContact CG-CZ 4.41Å; Y46-M85 HydrophobicContact CD1-CE 3.57Å; Y46-M85 HydrophobicContact CE1-CE 3.57Å; Y46-M85 HydrophobicContact CG-CE 4.19Å; Y46-L87 HydrophobicContact CD2-CD1 3.74Å; Y46-L87 HydrophobicContact CE2-CD1 3.55Å; Y46-L87 HydrophobicContact CE2-CD2 4.38Å; Y46-L87 HydrophobicContact CG-CD1 4.32Å; Y46-F92 HydrophobicContact CD2-CE1 4.27Å; Y46-F92 AromaticContact CD2-CZ 3.78Å; Y46-F92 HydrophobicContact CD2-CZ 3.78Å; Y46-F92 HydrophobicContact CG-CE1 4.4Å; Y46-F92 HydrophobicContact CG-CZ 4.29Å; Y46-L112 CarbonylContact O-C 3.49Å; Y46-L112 WeakPolarHBondContact O-CA 3.4Å; Y46-L112 WeakPolarHBondContact O-CB 3.44Å; Y46-G113 PolarHBondContact N-O 2.97Å; Y46-G113 PolarHBondContact O-N 3.32Å
47H98.7Very high97.9Very high7 Ų746.6 Ų46.63%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-143.2109.9175.9-171.8-165.5000108.8D39 P42 K43 H110 I111 L112 F124D39-H47 HydrophobicContact CB-CB 4.13Å; D39-H47 WeakPolarHBondContact CB-ND1 3.4Å; D39-H47 WeakPolarHBondContact CB-O 3.47Å; D39-H47 PolarHBondContact N-O 3.29Å; D39-H47 IonicContact OD1-CE1 3.77Å; D39-H47 IonicContact OD1-ND1 3.66Å; D39-H47 IonicContact OD2-CE1 3.32Å; D39-H47 PolarHBondContact OD2-CE1 2.69Å; D39-H47 VanDerWaalsContact OD2-CE1 3.32Å; D39-H47 IonicContact OD2-ND1 3.84Å; D39-H47 IonicContact OD2-NE2 3.71Å; P42-H47 HydrophobicContact CB-CB 3.91Å; K43-H47 PolarHBondContact N-ND1 3.35Å; H47-H110 AromaticContact CE1-ND1 3.64Å; H47-H110 AromaticContact NE2-CE1 3.86Å; H47-H110 AromaticContact NE2-CG 3.83Å; H47-H110 AromaticContact NE2-ND1 2.89Å; H47-H110 PolarHBondContact NE2-ND1 2.69Å; H47-I111 WeakPolarHBondContact CA-O 3.32Å; H47-L112 HydrophobicContact CB-CB 4.19Å; H47-F124 AromaticContact CE1-CZ 3.61Å; H47-F124 AromaticContact NE2-CE1 3.9Å; H47-F124 AromaticContact NE2-CZ 3.8Å
48F98.9Very high97.9Very high5 Ų546.9 Ų46.92%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-118157.9-179.2-46.7-71.1000111.1I36 F37 D38 Y46 Y80 L81 M85 I111I36-F48 HydrophobicContact CG2-CB 3.82Å; I36-F48 HydrophobicContact CG2-CG 4.32Å; F37-F48 CarbonylContact O-C 3.56Å; F37-F48 WeakPolarHBondContact O-CA 3.45Å; D38-F48 WeakPolarHBondContact OD1-CD1 3.26Å; D38-F48 VanDerWaalsContact OD1-CE1 3.26Å; D38-F48 WeakPolarHBondContact OD1-CE1 3.49Å; Y46-F48 HydrophobicContact CD1-CZ 4.14Å; Y46-F48 HydrophobicContact CG-CE2 4.47Å; Y46-F48 HydrophobicContact CG-CZ 4.41Å; F48-Y80 HydrophobicContact CD1-CE1 4.26Å; F48-Y80 HydrophobicContact CD2-CE1 4.01Å; F48-Y80 HydrophobicContact CE1-CE1 4.13Å; F48-Y80 AromaticContact CE2-CE1 3.86Å; F48-Y80 HydrophobicContact CE2-CE1 3.86Å; F48-Y80 HydrophobicContact CG-CE1 4.2Å; F48-Y80 AromaticContact CZ-CE1 3.94Å; F48-Y80 HydrophobicContact CZ-CE1 3.94Å; F48-L81 HydrophobicContact CE2-CD2 4.14Å; F48-M85 HydrophobicContact CE2-CE 4.21Å; F48-M85 HydrophobicContact CE2-SD 3.58Å; F48-M85 VanDerWaalsContact CE2-SD 3.58Å; F48-M85 HydrophobicContact CZ-CE 3.68Å; F48-M85 HydrophobicContact CZ-SD 3.44Å; F48-M85 WeakPolarHBondContact CZ-SD 3.4Å; F48-I111 HydrophobicContact CB-CB 4.27Å; F48-I111 HydrophobicContact CD2-CB 4.4Å; F48-I111 HydrophobicContact CD2-CG2 4.31Å; F48-I111 PolarHBondContact N-O 2.8Å; F48-I111 PolarHBondContact O-N 3.01Å
49Q98.8Very high97.8Very high3 Ų345.2 Ų45.21%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-111124.6168.2-63.6-61.6-1500109.2F15 I36 F37 D39 V51 H108 H110F15-Q49 HydrophobicContact CZ-CG 4.44Å; I36-Q49 VanDerWaalsContact CA-O 3.27Å; I36-Q49 WeakPolarHBondContact CA-O 3.35Å; F37-Q49 HydrophobicContact CD2-CB 4.25Å; F37-Q49 HydrophobicContact CE1-CB 4.06Å; F37-Q49 HydrophobicContact CE2-CB 3.74Å; F37-Q49 HydrophobicContact CE2-CG 4.07Å; F37-Q49 HydrophobicContact CZ-CB 3.63Å; F37-Q49 HydrophobicContact CZ-CG 4.29Å; F37-Q49 PolarHBondContact N-O 2.73Å; F37-Q49 PolarHBondContact O-N 3.22Å; D39-Q49 HydrophobicContact CB-CG 4.28Å; D39-Q49 PolarHBondContact OD2-NE2 3.29Å; Q49-V51 HydrophobicContact CB-CG1 4.42Å; Q49-H108 PolarHBondContact OE1-CD2 2.81Å; Q49-H108 VanDerWaalsContact OE1-CD2 3.23Å; Q49-H110 PolarHBondContact NE2-CE1 2.86Å; Q49-H110 PolarHBondContact NE2-ND1 3.24Å
50C98.9Very high97.7Very high0 Ų048.7 Ų48.70%023%0.229CC..EExtended strand (participates in β ladder)trans-101.5123.3165.2-179.30000108.8V35 I36 M73 H108 M109 I111V35-C50 WeakPolarHBondContact O-CA 3.26Å; I36-C50 HydrophobicContact CD1-CB 4.49Å; I36-C50 HydrophobicContact CG1-CB 3.96Å; C50-M73 WeakPolarHBondContact O-CE 3.45Å; C50-H108 WeakPolarHBondContact O-CA 3.35Å; C50-M109 HydrophobicContact CB-CB 4.36Å; C50-M109 HydrophobicContact CB-CE 3.88Å; C50-M109 PolarHBondContact N-O 2.97Å; C50-M109 PolarHBondContact O-N 3.09Å; C50-I111 HydrophobicContact CB-CD1 3.89Å
51V98.8Very high97.7Very high0 Ų046.4 Ų46.40%022%0.215CC..EExtended strand (participates in β ladder)trans-130145.3-177.8-48.80000110.8F15 A19 L34 V35 F37 Q49 H108F15-V51 HydrophobicContact CD2-CG1 3.75Å; F15-V51 HydrophobicContact CE2-CG1 4.18Å; F15-V51 HydrophobicContact CG-CG1 4.38Å; A19-V51 HydrophobicContact CB-CG2 4.33Å; L34-V51 WeakPolarHBondContact CA-O 3.49Å; V35-V51 HydrophobicContact CG2-CG2 3.41Å; V35-V51 VanDerWaalsContact CG2-CG2 3.41Å; V35-V51 PolarHBondContact N-O 3.48Å; V35-V51 PolarHBondContact O-N 3.07Å; F37-V51 HydrophobicContact CE1-CB 4.46Å; F37-V51 HydrophobicContact CE1-CG1 3.77Å; F37-V51 HydrophobicContact CE1-CG2 3.8Å; F37-V51 HydrophobicContact CZ-CG1 4.04Å; Q49-V51 HydrophobicContact CB-CG1 4.42Å; V51-H108 HydrophobicContact CG1-CB 3.64Å
52P98.5Very high97.7Very high0 Ų041.6 Ų41.60%019%0.19CC..EExtended strand (participates in β ladder)trans-72.1150.3166.330.8-32000111.8D33 L34 K54 L69 H106 L107D33-P52 CarbonylContact O-C 3.52Å; D33-P52 WeakPolarHBondContact O-CA 3.18Å; L34-P52 HydrophobicContact CD2-CB 4.03Å; P52-K54 VanDerWaalsContact C-N 3.34Å; P52-K54 HydrophobicContact CB-CG 3.79Å; P52-K54 HydrophobicContact CG-CG 4.4Å; P52-K54 WeakPolarHBondContact CG-O 3.48Å; P52-L69 HydrophobicContact CB-CD1 4.14Å; P52-H106 PolarHBondContact O-CE1 2.86Å; P52-H106 PolarHBondContact O-NE2 2.94Å; P52-L107 WeakPolarHBondContact CD-O 3.34Å; P52-L107 HydrophobicContact CG-CB 4.3Å; P52-L107 HydrophobicContact CG-CD2 4.2Å
53K98.1Very high97.6Very high36 Ų3640 Ų4016%0.15718%0.178CC..SBendtrans-67.1-37.2168.5-66.7-174.8-178170.70111.4A19 Y20 E30 T31 N32 D33 V35A19-K53 HydrophobicContact CB-CG 4.31Å; Y20-K53 HydrophobicContact CE2-CB 4.44Å; E30-K53 WeakPolarHBondContact OE1-CE 3.49Å; E30-K53 IonicContact OE1-NZ 3.97Å; E30-K53 PolarHBondContact OE1-NZ 3.18Å; T31-K53 PolarHBondContact O-NZ 3.33Å; N32-K53 VanDerWaalsContact O-CD 3.32Å; N32-K53 WeakPolarHBondContact O-CD 3.32Å; N32-K53 WeakPolarHBondContact O-CE 3.34Å; N32-K53 PolarHBondContact O-NZ 3.06Å; N32-K53 VanDerWaalsContact O-NZ 3.09Å; D33-K53 PolarHBondContact O-N 3.28Å; V35-K53 HydrophobicContact CG1-CG 4.5Å
54K96.7Very high97.6Very high70 Ų7040.4 Ų40.430%0.30418%0.178SC..SBendtrans-62.6138.7168.662172.4174.2174.10110.5L7 P52 I56 D66L7-K54 HydrophobicContact CD2-CD 4.39Å; P52-K54 VanDerWaalsContact C-N 3.34Å; P52-K54 HydrophobicContact CB-CG 3.79Å; P52-K54 HydrophobicContact CG-CG 4.4Å; P52-K54 WeakPolarHBondContact CG-O 3.48Å; K54-I56 HydrophobicContact CD-CD1 4.02Å; K54-I56 HydrophobicContact CD-CG1 4.41Å; K54-I56 HydrophobicContact CG-CD1 4.33Å; K54-I56 HydrophobicContact CG-CG1 4.47Å; K54-I56 PolarHBondContact O-N 3.44Å; K54-D66 IonicContact NZ-OD1 3.7Å
55H97.7Very high97.4Very high8 Ų845 Ų454%0.03720%0.196CC..  trans-80111.4177.4-173.886.8000110.2L7 T8 K10 C16 H105 H106L7-H55 VanDerWaalsContact CA-O 3.28Å; L7-H55 WeakPolarHBondContact CA-O 3.47Å; L7-H55 PolarHBondContact O-N 3.47Å; T8-H55 VanDerWaalsContact O-CB 3.22Å; T8-H55 WeakPolarHBondContact O-CB 3.13Å; K10-H55 WeakPolarHBondContact CD-NE2 3.33Å; K10-H55 WeakPolarHBondContact CE-CD2 3.34Å; K10-H55 WeakPolarHBondContact CE-NE2 3.29Å; K10-H55 HydrophobicContact CG-CB 4.5Å; C16-H55 PolarHBondContact SG-ND1 2.88Å; C16-H55 VanDerWaalsContact SG-ND1 3.38Å; H55-H105 PolarHBondContact CE1-O 3.46Å; H55-H105 PolarHBondContact NE2-O 3.36Å; H55-H106 AromaticContact ND1-ND1 3.26Å; H55-H106 PolarHBondContact ND1-ND1 3.22Å
56I97.8Very high97.4Very high8 Ų840 Ų404%0.04117%0.173CC..  trans-116128.6165.6-66.4167000105.8L7 K54 N58 L62 L69 H106 L107L7-I56 HydrophobicContact CD2-CD1 4.38Å; L7-I56 HydrophobicContact CD2-CG1 3.61Å; K54-I56 HydrophobicContact CD-CD1 4.02Å; K54-I56 HydrophobicContact CD-CG1 4.41Å; K54-I56 HydrophobicContact CG-CD1 4.33Å; K54-I56 HydrophobicContact CG-CG1 4.47Å; K54-I56 PolarHBondContact O-N 3.44Å; I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.07Å; I56-L62 HydrophobicContact CD1-CD2 4.45Å; I56-L69 HydrophobicContact CD1-CD2 3.38Å; I56-H106 CarbonylContact O-C 3.36Å; I56-H106 WeakPolarHBondContact O-CA 3.5Å; I56-L107 HydrophobicContact CB-CB 3.87Å; I56-L107 HydrophobicContact CB-CD2 4.27Å; I56-L107 HydrophobicContact CD1-CD2 4.09Å; I56-L107 HydrophobicContact CG2-CB 4.09Å; I56-L107 HydrophobicContact CG2-CD2 4.29Å; I56-L107 WeakPolarHBondContact O-CB 3.14Å; I56-L107 PolarHBondContact O-N 3.19Å
57R96.1Very high97.4Very high110 Ų11037.9 Ų37.942%0.41517%0.166SC..  trans-57.4-42.9-169.4-172.7177177.9151.53.3114Y61 H105 H106R57-Y61 HydrophobicContact CB-CD1 4.47Å; R57-Y61 HydrophobicContact CB-CD2 3.82Å; R57-Y61 HydrophobicContact CB-CE2 3.97Å; R57-Y61 HydrophobicContact CB-CG 4.08Å; R57-Y61 HydrophobicContact CG-CD2 4.41Å; R57-Y61 HydrophobicContact CG-CE2 4.16Å; R57-H105 HydrophobicContact CG-CB 4.05Å; R57-H105 CarbonylContact O-C 2.89Å; R57-H105 WeakPolarHBondContact O-CA 3.38Å; R57-H106 CarbonylContact O-C 3.55Å; R57-H106 WeakPolarHBondContact O-CA 3.15Å; R57-H106 PolarHBondContact O-N 2.89Å
58N97.6Very high97.3Very high9 Ų941.3 Ų41.35%0.04819%0.188CC..  trans-175.6-179.117754.355.5000110.4I56 K60 Y61 P99I56-N58 VanDerWaalsContact C-N 3.34Å; I56-N58 PolarHBondContact O-N 3.07Å; N58-K60 PolarHBondContact O-N 3.39Å; N58-K60 VanDerWaalsContact O-N 3.11Å; N58-K60 WeakPolarHBondContact OD1-CB 3.39Å; N58-K60 PolarHBondContact OD1-N 3.02Å; N58-Y61 PolarHBondContact O-N 2.93Å; N58-Y61 WeakPolarHBondContact OD1-CD2 3.42Å; N58-P99 HydrophobicContact CB-CG 3.73Å; N58-P99 VanDerWaalsContact OD1-CG 3.23Å; N58-P99 WeakPolarHBondContact OD1-CG 3.36Å
59A97.2Very high97.3Very high4 Ų441.7 Ų41.73%0.03319%0.191CC..THydrogen-bonded Turntrans-62.4-16.4-177.600000115.6Y61 L62 F96 W98 L107A59-Y61 VanDerWaalsContact C-N 3.34Å; A59-L62 HydrophobicContact CB-CD1 4.21Å; A59-F96 HydrophobicContact CB-CB 3.81Å; A59-F96 HydrophobicContact CB-CD1 4.1Å; A59-F96 HydrophobicContact CB-CG 3.89Å; A59-W98 HydrophobicContact CB-CE3 4.19Å; A59-W98 HydrophobicContact CB-CZ3 3.92Å; A59-L107 HydrophobicContact CB-CD1 4.03Å
60K95.8Very high97.3Very high103 Ų10341.6 Ų41.645%0.44819%0.19SC..THydrogen-bonded Turntrans-77.7-20.2172.6-79.7-175.2-173.2173.60113.3N58 L62 W98 P99N58-K60 PolarHBondContact O-N 3.39Å; N58-K60 VanDerWaalsContact O-N 3.11Å; N58-K60 WeakPolarHBondContact OD1-CB 3.39Å; N58-K60 PolarHBondContact OD1-N 3.02Å; K60-L62 VanDerWaalsContact C-N 3.31Å; K60-W98 HydrophobicContact CG-CH2 4.04Å; K60-W98 HydrophobicContact CG-CZ2 3.63Å; K60-P99 HydrophobicContact CB-CG 4.21Å; K60-P99 HydrophobicContact CD-CB 3.91Å; K60-P99 HydrophobicContact CD-CG 4.07Å; K60-P99 WeakPolarHBondContact CE-O 3.41Å; K60-P99 HydrophobicContact CG-CB 4.29Å; K60-P99 HydrophobicContact CG-CG 3.89Å; K60-P99 PolarHBondContact NZ-O 3.25Å
61Y95.8Very high97.3Very high114 Ų11444.9 Ų44.945%0.44721%0.206SC..SBendtrans-86.8-4.7177.2-76.7-104000112.6R57 N58 A59R57-Y61 HydrophobicContact CB-CD1 4.47Å; R57-Y61 HydrophobicContact CB-CD2 3.82Å; R57-Y61 HydrophobicContact CB-CE2 3.97Å; R57-Y61 HydrophobicContact CB-CG 4.08Å; R57-Y61 HydrophobicContact CG-CD2 4.41Å; R57-Y61 HydrophobicContact CG-CE2 4.16Å; N58-Y61 PolarHBondContact O-N 2.93Å; N58-Y61 WeakPolarHBondContact OD1-CD2 3.42Å; A59-Y61 VanDerWaalsContact C-N 3.34Å
62L96.6Very high97.3Very high4 Ų448.9 Ų48.92%0.02123%0.228CC..  trans-65.9140.8169.1-67.9170.2000110.5I56 A59 K60 D66 L69 V70 L107 V137 L141I56-L62 HydrophobicContact CD1-CD2 4.45Å; A59-L62 HydrophobicContact CB-CD1 4.21Å; K60-L62 VanDerWaalsContact C-N 3.31Å; L62-D66 HydrophobicContact CB-CB 4.5Å; L62-D66 HydrophobicContact CD2-CB 3.54Å; L62-L69 HydrophobicContact CD2-CD2 4.41Å; L62-V70 HydrophobicContact CD1-CG2 3.76Å; L62-V70 HydrophobicContact CD2-CG2 4.07Å; L62-L107 HydrophobicContact CD1-CD1 3.99Å; L62-L107 HydrophobicContact CD1-CD2 4.47Å; L62-L107 HydrophobicContact CD2-CD2 3.73Å; L62-L107 HydrophobicContact CG-CD1 4.25Å; L62-L107 HydrophobicContact CG-CD2 4.33Å; L62-V137 HydrophobicContact CD1-CG1 4.06Å; L62-L141 HydrophobicContact CB-CD1 4.05Å; L62-L141 HydrophobicContact CB-CD2 3.88Å; L62-L141 HydrophobicContact CD1-CD1 4.5Å; L62-L141 WeakPolarHBondContact O-CD2 3.43Å
63T95.5Very high97.3Very high45 Ų4548.9 Ų48.928%0.27623%0.228SC..  trans-123.1176.1178.859.80000110.2R3 E65 D66R3-T63 VanDerWaalsContact CZ-OG1 3.3Å; R3-T63 PolarHBondContact NH1-OG1 2.77Å; R3-T63 VanDerWaalsContact NH1-OG1 3.11Å; R3-T63 PolarHBondContact NH2-OG1 3.12Å; T63-E65 VanDerWaalsContact CB-OE2 3.29Å; T63-E65 WeakPolarHBondContact CB-OE2 3.39Å; T63-E65 PolarHBondContact O-N 3.39Å; T63-E65 PolarHBondContact OG1-OE2 3.4Å; T63-D66 PolarHBondContact N-OD2 2.91Å; T63-D66 PolarHBondContact O-N 2.95Å; T63-D66 PolarHBondContact OG1-OD2 3.42Å
64Y96.7Very high97.3Very high122 Ų12248 Ų4848%0.47823%0.225SC..G310 helixtrans-55.6-38.5174.5178.8-96.4000111.8D66 I67Y64-D66 PolarHBondContact O-N 2.92Å; Y64-I67 HydrophobicContact CD2-CD1 3.59Å; Y64-I67 HydrophobicContact CE2-CD1 3.81Å; Y64-I67 HydrophobicContact CG-CD1 4.28Å; Y64-I67 WeakPolarHBondContact O-CB 3.49Å; Y64-I67 VanDerWaalsContact O-CG1 3.28Å; Y64-I67 WeakPolarHBondContact O-CG1 3.32Å; Y64-I67 PolarHBondContact O-N 2.7Å; Y64-I67 VanDerWaalsContact O-N 3.15Å
65E95.7Very high97.4Very high118 Ų11848.8 Ų48.855%0.55123%0.232SC*.G310 helixtrans-68.8-15.1179.1-55.474.9-137.600113.5R3 T63 P68R3-E65 IonicContact CZ-OE2 3.81Å; R3-E65 IonicContact NH1-OE2 2.84Å; R3-E65 PolarHBondContact NH1-OE2 3.39Å; R3-E65 IonicContact NH2-OE2 3.86Å; T63-E65 VanDerWaalsContact CB-OE2 3.29Å; T63-E65 WeakPolarHBondContact CB-OE2 3.39Å; T63-E65 PolarHBondContact O-N 3.39Å; T63-E65 PolarHBondContact OG1-OE2 3.4Å; E65-P68 WeakPolarHBondContact O-CD 3.48Å
66D96.9Very high97.5Very high7 Ų748.8 Ų48.84%0.03723%0.233CC..G310 helixtrans-922.3177-55.8-65.7000112.9R3 K54 L62 T63 Y64 P68 L69 V70R3-D66 IonicContact CZ-OD2 2.91Å; R3-D66 IonicContact NH2-OD1 3.64Å; R3-D66 PolarHBondContact NH2-OD1 2.99Å; R3-D66 VanDerWaalsContact NH2-OD1 3.08Å; R3-D66 IonicContact NH2-OD2 3.08Å; R3-D66 PolarHBondContact NH2-OD2 3.38Å; K54-D66 IonicContact NZ-OD1 3.7Å; L62-D66 HydrophobicContact CB-CB 4.5Å; L62-D66 HydrophobicContact CD2-CB 3.54Å; T63-D66 PolarHBondContact N-OD2 2.91Å; T63-D66 PolarHBondContact O-N 2.95Å; T63-D66 PolarHBondContact OG1-OD2 3.42Å; Y64-D66 PolarHBondContact O-N 2.92Å; D66-P68 VanDerWaalsContact C-N 3.34Å; D66-L69 WeakPolarHBondContact O-CB 3.27Å; D66-L69 PolarHBondContact O-N 3.23Å; D66-L69 VanDerWaalsContact O-N 3.1Å; D66-V70 PolarHBondContact O-N 2.7Å; D66-V70 VanDerWaalsContact O-N 3.09Å
67I98.1Very high97.5Very high22 Ų2248.4 Ų48.411%0.11323%0.231CC..Hα-helixtrans-52.9-46.2174.5-73.3170.3000112.1Y64 L69 V70 M71 L138 L141 R142Y64-I67 HydrophobicContact CD2-CD1 3.59Å; Y64-I67 HydrophobicContact CE2-CD1 3.81Å; Y64-I67 HydrophobicContact CG-CD1 4.28Å; Y64-I67 WeakPolarHBondContact O-CB 3.49Å; Y64-I67 VanDerWaalsContact O-CG1 3.28Å; Y64-I67 WeakPolarHBondContact O-CG1 3.32Å; Y64-I67 PolarHBondContact O-N 2.7Å; Y64-I67 VanDerWaalsContact O-N 3.15Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 3.01Å; I67-V70 PolarHBondContact O-N 2.99Å; I67-V70 VanDerWaalsContact O-N 3.13Å; I67-M71 HydrophobicContact CG2-CG 4.38Å; I67-M71 WeakPolarHBondContact O-CG 3.48Å; I67-M71 PolarHBondContact O-N 2.9Å; I67-L138 HydrophobicContact CG1-CD2 4.48Å; I67-L138 HydrophobicContact CG2-CD2 4.03Å; I67-L141 HydrophobicContact CD1-CB 3.99Å; I67-L141 HydrophobicContact CG1-CB 3.77Å; I67-L141 HydrophobicContact CG1-CD1 4.04Å; I67-R142 HydrophobicContact CD1-CG 3.77Å
68P98.2Very high97.6Very high79 Ų7947.1 Ų47.151%0.51323%0.226SC..Hα-helixtrans-56-42.9176-26.536.1000112.6E65 D66 V70 M71 D72E65-P68 WeakPolarHBondContact O-CD 3.48Å; D66-P68 VanDerWaalsContact C-N 3.34Å; P68-V70 PolarHBondContact O-N 3.05Å; P68-M71 WeakPolarHBondContact O-CB 3.29Å; P68-M71 PolarHBondContact O-N 2.85Å; P68-D72 VanDerWaalsContact O-CG 3.26Å; P68-D72 PolarHBondContact O-N 2.95Å
69L98.2Very high97.7Very high14 Ų1450 Ų507%0.07324%0.242CC..Hα-helixtrans-59.3-46.1176.5176.271.8000111.8L34 P52 I56 L62 D66 I67 M71 D72 M73 L107L34-L69 HydrophobicContact CD2-CD1 3.94Å; P52-L69 HydrophobicContact CB-CD1 4.14Å; I56-L69 HydrophobicContact CD1-CD2 3.38Å; L62-L69 HydrophobicContact CD2-CD2 4.41Å; D66-L69 WeakPolarHBondContact O-CB 3.27Å; D66-L69 PolarHBondContact O-N 3.23Å; D66-L69 VanDerWaalsContact O-N 3.1Å; I67-L69 VanDerWaalsContact C-N 3.29Å; I67-L69 PolarHBondContact O-N 3.01Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.76Å; L69-D72 PolarHBondContact O-N 3.14Å; L69-M73 HydrophobicContact CG-CG 4.48Å; L69-M73 HydrophobicContact CG-SD 4.26Å; L69-M73 VanDerWaalsContact O-CG 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.38Å; L69-M73 PolarHBondContact O-N 3.41Å; L69-L107 HydrophobicContact CD2-CD2 3.9Å
70V98.6Very high97.8Very high0 Ų050.5 Ų50.50%024%0.243CC..Hα-helixtrans-63.5-39.4-179.8179.30000110.3L62 D66 I67 P68 M73 I74 F96 L138 L141L62-V70 HydrophobicContact CD1-CG2 3.76Å; L62-V70 HydrophobicContact CD2-CG2 4.07Å; D66-V70 PolarHBondContact O-N 2.7Å; D66-V70 VanDerWaalsContact O-N 3.09Å; I67-V70 PolarHBondContact O-N 2.99Å; I67-V70 VanDerWaalsContact O-N 3.13Å; P68-V70 PolarHBondContact O-N 3.05Å; V70-M73 PolarHBondContact O-N 3.27Å; V70-I74 HydrophobicContact CG1-CD1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.26Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.45Å; V70-F96 HydrophobicContact CG1-CE2 4.41Å; V70-L138 HydrophobicContact CB-CD2 3.83Å; V70-L138 HydrophobicContact CG1-CD1 4.47Å; V70-L138 HydrophobicContact CG1-CD2 3.69Å; V70-L138 HydrophobicContact CG1-CG 3.88Å; V70-L141 HydrophobicContact CG2-CD1 4.26Å
71M98.6Very high97.9Very high69 Ų6945.6 Ų45.634%0.3422%0.221SC..Hα-helixtrans-62.6-42.9173.7-66.9-60.7-6000111.9I67 P68 L69 M73 I74 N75 L138I67-M71 HydrophobicContact CG2-CG 4.38Å; I67-M71 WeakPolarHBondContact O-CG 3.48Å; I67-M71 PolarHBondContact O-N 2.9Å; P68-M71 WeakPolarHBondContact O-CB 3.29Å; P68-M71 PolarHBondContact O-N 2.85Å; L69-M71 VanDerWaalsContact C-N 3.28Å; L69-M71 PolarHBondContact O-N 2.76Å; M71-M73 VanDerWaalsContact C-N 3.33Å; M71-M73 PolarHBondContact O-N 3.19Å; M71-I74 PolarHBondContact O-N 3.13Å; M71-I74 HydrophobicContact SD-CD1 4.31Å; M71-N75 WeakPolarHBondContact O-CB 3.48Å; M71-N75 VanDerWaalsContact O-CG 3.27Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.42Å; M71-L138 HydrophobicContact CG-CD2 4.33Å; M71-L138 HydrophobicContact SD-CD1 3.56Å; M71-L138 VanDerWaalsContact SD-CD1 3.56Å; M71-L138 HydrophobicContact SD-CD2 4.1Å
72D98.6Very high98Very high84 Ų8443.5 Ų43.545%0.44922%0.221SC..Hα-helixtrans-63.4-39.5176.6-67.5-24.6000111.7L34 P68 L69 N75 C76L34-D72 HydrophobicContact CD1-CB 4.01Å; L34-D72 WeakPolarHBondContact CD1-O 3.44Å; P68-D72 VanDerWaalsContact O-CG 3.26Å; P68-D72 PolarHBondContact O-N 2.95Å; L69-D72 PolarHBondContact O-N 3.14Å; D72-N75 PolarHBondContact O-N 2.96Å; D72-C76 WeakPolarHBondContact O-CB 3.26Å; D72-C76 PolarHBondContact O-N 3.26Å
73M98.9Very high98.1Very high0 Ų045.6 Ų45.60%024%0.236CC..Hα-helixtrans-60.7-45.7174.3-69.3177.182.400111.5L34 C50 L69 V70 M71 C76 G77 F96 L107 M109L34-M73 HydrophobicContact CD1-CG 4.15Å; L34-M73 HydrophobicContact CD2-CG 3.66Å; C50-M73 WeakPolarHBondContact O-CE 3.45Å; L69-M73 HydrophobicContact CG-CG 4.48Å; L69-M73 HydrophobicContact CG-SD 4.26Å; L69-M73 VanDerWaalsContact O-CG 3.28Å; L69-M73 WeakPolarHBondContact O-CG 3.38Å; L69-M73 PolarHBondContact O-N 3.41Å; V70-M73 PolarHBondContact O-N 3.27Å; M71-M73 VanDerWaalsContact C-N 3.33Å; M71-M73 PolarHBondContact O-N 3.19Å; M73-C76 PolarHBondContact O-N 3.44Å; M73-G77 PolarHBondContact O-N 3.23Å; M73-F96 HydrophobicContact CE-CE1 4.08Å; M73-F96 HydrophobicContact CE-CZ 4.37Å; M73-F96 HydrophobicContact SD-CE1 4.46Å; M73-F96 HydrophobicContact SD-CZ 4.32Å; M73-L107 HydrophobicContact CE-CD2 4.5Å; M73-L107 HydrophobicContact CE-CG 4.41Å; M73-L107 HydrophobicContact SD-CD2 3.96Å; M73-L107 HydrophobicContact SD-CG 4.47Å; M73-M109 VanDerWaalsContact C-CE 3.5Å; M73-M109 HydrophobicContact CB-CE 4.05Å; M73-M109 HydrophobicContact CB-SD 4.17Å; M73-M109 HydrophobicContact CE-CB 3.62Å; M73-M109 WeakPolarHBondContact O-CE 3.42Å
74I98.8Very high98.2Very high18 Ų1849.1 Ų49.19%0.09225%0.249CC..Hα-helixtrans-60.5-51.5176.2-64.3163.3000110V70 M71 C76 G77 R78 M109 V134 L138V70-I74 HydrophobicContact CG1-CD1 4.26Å; V70-I74 VanDerWaalsContact O-CG1 3.26Å; V70-I74 WeakPolarHBondContact O-CG1 3.4Å; V70-I74 PolarHBondContact O-N 3.45Å; M71-I74 PolarHBondContact O-N 3.13Å; M71-I74 HydrophobicContact SD-CD1 4.31Å; I74-C76 VanDerWaalsContact C-N 3.34Å; I74-C76 PolarHBondContact O-N 3.18Å; I74-G77 PolarHBondContact O-N 3.41Å; I74-R78 HydrophobicContact CG2-CG 4.22Å; I74-R78 WeakPolarHBondContact O-CB 3.11Å; I74-R78 VanDerWaalsContact O-CG 3.26Å; I74-R78 WeakPolarHBondContact O-CG 3.09Å; I74-R78 PolarHBondContact O-N 3.38Å; I74-M109 HydrophobicContact CG1-SD 4.21Å; I74-V134 HydrophobicContact CD1-CB 3.73Å; I74-V134 HydrophobicContact CD1-CG1 4.27Å; I74-V134 HydrophobicContact CD1-CG2 3.73Å; I74-V134 HydrophobicContact CG1-CB 3.95Å; I74-V134 HydrophobicContact CG1-CG1 3.95Å; I74-V134 HydrophobicContact CG1-CG2 3.91Å; I74-L138 HydrophobicContact CD1-CD1 3.75Å
75N98.6Very high98.2Very high87 Ų8745.6 Ų45.647%0.46524%0.238SC..Hα-helixtrans-61.9-41.5-178.6-70.7-25.1000112M71 D72 R78 N79M71-N75 WeakPolarHBondContact O-CB 3.48Å; M71-N75 VanDerWaalsContact O-CG 3.27Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.42Å; D72-N75 PolarHBondContact O-N 2.96Å; N75-R78 PolarHBondContact O-N 3.26Å; N75-N79 WeakPolarHBondContact O-CB 3.44Å; N75-N79 PolarHBondContact O-N 2.99Å
76C98.7Very high98.4Very high8 Ų848 Ų485%0.05425%0.246CC..Hα-helixtrans-59.7-49.1175.6-175.90000111.1L34 D72 M73 I74 N79 Y80L34-C76 HydrophobicContact CD1-CB 3.63Å; D72-C76 WeakPolarHBondContact O-CB 3.26Å; D72-C76 PolarHBondContact O-N 3.26Å; M73-C76 PolarHBondContact O-N 3.44Å; I74-C76 VanDerWaalsContact C-N 3.34Å; I74-C76 PolarHBondContact O-N 3.18Å; C76-N79 PolarHBondContact O-N 3.48Å; C76-Y80 WeakPolarHBondContact O-CB 3.45Å; C76-Y80 PolarHBondContact O-N 2.8Å
77G98.8Very high98.4Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-63.6-44.7177.600000113.5M73 I74 Y80 L81M73-G77 PolarHBondContact O-N 3.23Å; I74-G77 PolarHBondContact O-N 3.41Å; G77-Y80 PolarHBondContact O-N 2.88Å; G77-L81 WeakPolarHBondContact O-CG 3.45Å; G77-L81 PolarHBondContact O-N 2.89Å; G77-L81 VanDerWaalsContact O-N 3.07Å
78R98.8Very high98.5Very high82 Ų8252.9 Ų52.931%0.30927%0.272SS..Hα-helixtrans-63-46.8176.6-67.6177.971.2821.6111.6I74 N75 Y80 L81 T82 P89 E90 F94I74-R78 HydrophobicContact CG2-CG 4.22Å; I74-R78 WeakPolarHBondContact O-CB 3.11Å; I74-R78 VanDerWaalsContact O-CG 3.26Å; I74-R78 WeakPolarHBondContact O-CG 3.09Å; I74-R78 PolarHBondContact O-N 3.38Å; N75-R78 PolarHBondContact O-N 3.26Å; R78-Y80 VanDerWaalsContact C-N 3.33Å; R78-Y80 PolarHBondContact O-N 3.42Å; R78-L81 PolarHBondContact O-N 3.25Å; R78-T82 PolarHBondContact O-N 3.07Å; R78-T82 PolarHBondContact O-OG1 2.87Å; R78-P89 HydrophobicContact CB-CB 4.11Å; R78-P89 HydrophobicContact CB-CG 4.05Å; R78-P89 HydrophobicContact CG-CB 3.85Å; R78-P89 HydrophobicContact CG-CG 4.34Å; R78-E90 IonicContact CZ-OE1 2.69Å; R78-E90 IonicContact NH1-OE1 2.66Å; R78-E90 PolarHBondContact NH1-OE1 3.31Å; R78-E90 IonicContact NH2-OE1 2.69Å; R78-E90 PolarHBondContact NH2-OE1 3.33Å; R78-F94 HydrophobicContact CG-CE1 4.23Å; R78-F94 HydrophobicContact CG-CE2 4.4Å; R78-F94 HydrophobicContact CG-CZ 3.82Å
79N98.6Very high98.5Very high71 Ų7149.4 Ų49.438%0.3825%0.25SC..Hα-helixtrans-62.1-40.3177.4-179.445.5000111.8F29 N75 C76 S83F29-N79 WeakPolarHBondContact CZ-ND2 3.2Å; N75-N79 WeakPolarHBondContact O-CB 3.44Å; N75-N79 PolarHBondContact O-N 2.99Å; C76-N79 PolarHBondContact O-N 3.48Å; N79-S83 WeakPolarHBondContact O-CA 3.12Å; N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.19Å; N79-S83 PolarHBondContact O-OG 2.95Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-OG 2.78Å
80Y98.7Very high98.5Very high13 Ų1353.7 Ų53.75%0.05127%0.27CS..Iπ-helixtrans-59.1-50.2174.8173.1-118.2000111.7R28 F29 I36 F48 C76 G77 R78 Q84 M85R28-Y80 HydrophobicContact CB-CE1 4.49Å; R28-Y80 HydrophobicContact CB-CE2 3.97Å; R28-Y80 WeakPolarHBondContact CB-OH 3.34Å; F29-Y80 HydrophobicContact CB-CD2 3.53Å; F29-Y80 HydrophobicContact CB-CE2 4.1Å; F29-Y80 HydrophobicContact CB-CG 4.05Å; F29-Y80 HydrophobicContact CD2-CD2 4.31Å; F29-Y80 AromaticContact CG-CD2 3.97Å; F29-Y80 HydrophobicContact CG-CD2 3.97Å; F29-Y80 HydrophobicContact CG-CG 4.41Å; I36-Y80 HydrophobicContact CD1-CD1 4.11Å; I36-Y80 HydrophobicContact CD1-CG 4.02Å; I36-Y80 HydrophobicContact CG2-CD1 4.03Å; I36-Y80 HydrophobicContact CG2-CE1 4.12Å; F48-Y80 HydrophobicContact CD1-CE1 4.26Å; F48-Y80 HydrophobicContact CD2-CE1 4.01Å; F48-Y80 HydrophobicContact CE1-CE1 4.13Å; F48-Y80 AromaticContact CE2-CE1 3.86Å; F48-Y80 HydrophobicContact CE2-CE1 3.86Å; F48-Y80 HydrophobicContact CG-CE1 4.2Å; F48-Y80 AromaticContact CZ-CE1 3.94Å; F48-Y80 HydrophobicContact CZ-CE1 3.94Å; C76-Y80 WeakPolarHBondContact O-CB 3.45Å; C76-Y80 PolarHBondContact O-N 2.8Å; G77-Y80 PolarHBondContact O-N 2.88Å; R78-Y80 VanDerWaalsContact C-N 3.33Å; R78-Y80 PolarHBondContact O-N 3.42Å; Y80-Q84 HydrophobicContact CD2-CB 3.74Å; Y80-Q84 HydrophobicContact CD2-CG 3.79Å; Y80-Q84 HydrophobicContact CE2-CB 3.84Å; Y80-Q84 HydrophobicContact CE2-CG 4.22Å; Y80-Q84 WeakPolarHBondContact O-CA 3.03Å; Y80-Q84 VanDerWaalsContact O-CB 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.45Å; Y80-Q84 PolarHBondContact O-N 2.79Å; Y80-M85 HydrophobicContact CD1-SD 4.31Å; Y80-M85 HydrophobicContact CE1-CG 4.15Å; Y80-M85 HydrophobicContact CE1-SD 3.55Å; Y80-M85 VanDerWaalsContact CE1-SD 3.55Å; Y80-M85 HydrophobicContact CE2-CG 4.25Å; Y80-M85 PolarHBondContact O-N 3.15Å
81L98.8Very high98.5Very high0 Ų056.3 Ų56.30%028%0.283CS..Iπ-helixtrans-60.3-49.7178.9-69.1168000112.1F48 G77 R78 M85 K86 L87 P89 F92 F94 I111F48-L81 HydrophobicContact CE2-CD2 4.14Å; G77-L81 WeakPolarHBondContact O-CG 3.45Å; G77-L81 PolarHBondContact O-N 2.89Å; G77-L81 VanDerWaalsContact O-N 3.07Å; R78-L81 PolarHBondContact O-N 3.25Å; L81-M85 HydrophobicContact CD2-SD 3.98Å; L81-M85 CarbonylContact O-C 3.58Å; L81-M85 WeakPolarHBondContact O-CA 3.48Å; L81-M85 WeakPolarHBondContact O-CB 3.34Å; L81-M85 PolarHBondContact O-N 2.91Å; L81-K86 PolarHBondContact O-N 3.13Å; L81-L87 CarbonylContact C-O 3.58Å; L81-L87 HydrophobicContact CD2-CD1 4.35Å; L81-L87 PolarHBondContact O-N 3.12Å; L81-P89 HydrophobicContact CB-CG 4.14Å; L81-P89 HydrophobicContact CD1-CB 4.19Å; L81-F92 HydrophobicContact CD1-CB 4.08Å; L81-F92 HydrophobicContact CD1-CD1 3.92Å; L81-F92 HydrophobicContact CD1-CD2 4.02Å; L81-F92 HydrophobicContact CD1-CE1 4.37Å; L81-F92 HydrophobicContact CD1-CE2 4.5Å; L81-F92 HydrophobicContact CD1-CG 3.74Å; L81-F92 HydrophobicContact CD2-CD1 4Å; L81-F92 HydrophobicContact CD2-CD2 4.42Å; L81-F92 HydrophobicContact CD2-CE1 3.6Å; L81-F92 HydrophobicContact CD2-CE2 4.1Å; L81-F92 HydrophobicContact CD2-CG 4.4Å; L81-F92 HydrophobicContact CD2-CZ 3.68Å; L81-F94 HydrophobicContact CD1-CE1 4.3Å; L81-F94 HydrophobicContact CD1-CE2 4.33Å; L81-F94 HydrophobicContact CD1-CZ 3.55Å; L81-I111 HydrophobicContact CD1-CG2 3.65Å; L81-I111 HydrophobicContact CD2-CG2 4.45Å; L81-I111 HydrophobicContact CG-CG2 4.32Å
82T98.5Very high98.5Very high71 Ų7153.4 Ų53.444%0.43627%0.269SS..Iπ-helixtrans-70.8-51.3-178.2-57.20000112.4R78 K86 P89R78-T82 PolarHBondContact O-N 3.07Å; R78-T82 PolarHBondContact O-OG1 2.87Å; T82-K86 WeakPolarHBondContact O-CA 3.43Å; T82-K86 PolarHBondContact O-N 3.38Å; T82-P89 VanDerWaalsContact OG1-CD 3.32Å; T82-P89 WeakPolarHBondContact OG1-CD 3.44Å; T82-P89 WeakPolarHBondContact OG1-CG 3.47Å
83S97.7Very high98.4Very high47 Ų4750.6 Ų50.633%0.32925%0.254SS..Iπ-helixtrans-81.6-40.2-168-59.80000112.6N79 K86N79-S83 WeakPolarHBondContact O-CA 3.12Å; N79-S83 WeakPolarHBondContact O-CB 3.45Å; N79-S83 PolarHBondContact O-N 3.19Å; N79-S83 PolarHBondContact O-OG 2.95Å; N79-S83 WeakPolarHBondContact OD1-CB 3.4Å; N79-S83 PolarHBondContact OD1-OG 2.78Å; S83-K86 PolarHBondContact O-NZ 3Å
84Q97.4Very high98.4Very high119 Ų11951.3 Ų51.356%0.55626%0.257SS*.Iπ-helixtrans-95-39.6-176.2-55.2-58.5-43.100112.6F29 Y80F29-Q84 HydrophobicContact CD2-CG 4.18Å; F29-Q84 HydrophobicContact CE2-CG 4.48Å; Y80-Q84 HydrophobicContact CD2-CB 3.74Å; Y80-Q84 HydrophobicContact CD2-CG 3.79Å; Y80-Q84 HydrophobicContact CE2-CB 3.84Å; Y80-Q84 HydrophobicContact CE2-CG 4.22Å; Y80-Q84 WeakPolarHBondContact O-CA 3.03Å; Y80-Q84 VanDerWaalsContact O-CB 3.29Å; Y80-Q84 WeakPolarHBondContact O-CB 3.45Å; Y80-Q84 PolarHBondContact O-N 2.79Å
85M98Very high98.4Very high49 Ų4950.4 Ų50.424%0.24125%0.252CS..Iπ-helixtrans-99.2-13.5-175.2-58.7-168.272.800114.6Y46 F48 Y80 L81 L87Y46-M85 HydrophobicContact CD1-CE 3.57Å; Y46-M85 HydrophobicContact CE1-CE 3.57Å; Y46-M85 HydrophobicContact CG-CE 4.19Å; F48-M85 HydrophobicContact CE2-CE 4.21Å; F48-M85 HydrophobicContact CE2-SD 3.58Å; F48-M85 VanDerWaalsContact CE2-SD 3.58Å; F48-M85 HydrophobicContact CZ-CE 3.68Å; F48-M85 HydrophobicContact CZ-SD 3.44Å; F48-M85 WeakPolarHBondContact CZ-SD 3.4Å; Y80-M85 HydrophobicContact CD1-SD 4.31Å; Y80-M85 HydrophobicContact CE1-CG 4.15Å; Y80-M85 HydrophobicContact CE1-SD 3.55Å; Y80-M85 VanDerWaalsContact CE1-SD 3.55Å; Y80-M85 HydrophobicContact CE2-CG 4.25Å; Y80-M85 PolarHBondContact O-N 3.15Å; L81-M85 HydrophobicContact CD2-SD 3.98Å; L81-M85 CarbonylContact O-C 3.58Å; L81-M85 WeakPolarHBondContact O-CA 3.48Å; L81-M85 WeakPolarHBondContact O-CB 3.34Å; L81-M85 PolarHBondContact O-N 2.91Å; M85-L87 HydrophobicContact CB-CB 4.4Å; M85-L87 HydrophobicContact CB-CD1 3.82Å; M85-L87 HydrophobicContact CB-CG 3.83Å; M85-L87 HydrophobicContact CE-CD1 3.73Å; M85-L87 PolarHBondContact O-N 2.71Å; M85-L87 HydrophobicContact SD-CD1 4.11Å
86K98.4Very high98.4Very high167 Ų16746.4 Ų46.473%0.72623%0.231SC*.  trans56.835.9-173.9-49.1-56.6-178.7-161.50112.7L81 T82 S83L81-K86 PolarHBondContact O-N 3.13Å; T82-K86 WeakPolarHBondContact O-CA 3.43Å; T82-K86 PolarHBondContact O-N 3.38Å; S83-K86 PolarHBondContact O-NZ 3Å
87L98.4Very high98.4Very high46 Ų4647 Ų4724%0.24123%0.232CC..  trans-106.6150.6177.3-60.8176.3000110.2Y46 L81 M85 P89 F92Y46-L87 HydrophobicContact CD2-CD1 3.74Å; Y46-L87 HydrophobicContact CE2-CD1 3.55Å; Y46-L87 HydrophobicContact CE2-CD2 4.38Å; Y46-L87 HydrophobicContact CG-CD1 4.32Å; L81-L87 CarbonylContact C-O 3.58Å; L81-L87 HydrophobicContact CD2-CD1 4.35Å; L81-L87 PolarHBondContact O-N 3.12Å; M85-L87 HydrophobicContact CB-CB 4.4Å; M85-L87 HydrophobicContact CB-CD1 3.82Å; M85-L87 HydrophobicContact CB-CG 3.83Å; M85-L87 HydrophobicContact CE-CD1 3.73Å; M85-L87 PolarHBondContact O-N 2.71Å; M85-L87 HydrophobicContact SD-CD1 4.11Å; L87-P89 WeakPolarHBondContact O-CD 3.42Å; L87-F92 HydrophobicContact CB-CE2 4.06Å; L87-F92 HydrophobicContact CB-CZ 4.42Å; L87-F92 HydrophobicContact CD1-CE2 4.17Å; L87-F92 HydrophobicContact CD1-CZ 3.71Å
88D98.4Very high98.3Very high87 Ų8748.3 Ų48.347%0.46524%0.237SC..  trans-78.6116.6173.6-170.3-14.9000109.8E90 D91 F92D88-E90 PolarHBondContact O-N 3.26Å; D88-E90 WeakPolarHBondContact OD1-CB 3.46Å; D88-E90 PolarHBondContact OD1-N 2.88Å; D88-D91 WeakPolarHBondContact O-CB 3.23Å; D88-D91 PolarHBondContact O-N 3.1Å; D88-D91 VanDerWaalsContact O-N 3.07Å; D88-F92 WeakPolarHBondContact O-CD2 3.3Å
89P98.5Very high98.2Very high6 Ų644.9 Ų44.94%0.03923%0.226CC..G310 helixtrans-60.5-22.9176.2-20.733000113.6R78 L81 T82 L87 D91 F92 F94R78-P89 HydrophobicContact CB-CB 4.11Å; R78-P89 HydrophobicContact CB-CG 4.05Å; R78-P89 HydrophobicContact CG-CB 3.85Å; R78-P89 HydrophobicContact CG-CG 4.34Å; L81-P89 HydrophobicContact CB-CG 4.14Å; L81-P89 HydrophobicContact CD1-CB 4.19Å; T82-P89 VanDerWaalsContact OG1-CD 3.32Å; T82-P89 WeakPolarHBondContact OG1-CD 3.44Å; T82-P89 WeakPolarHBondContact OG1-CG 3.47Å; L87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-D91 PolarHBondContact O-N 3.02Å; P89-F92 WeakPolarHBondContact O-CB 3.46Å; P89-F92 PolarHBondContact O-N 3.22Å; P89-F94 HydrophobicContact CB-CE2 4.28Å; P89-F94 HydrophobicContact CB-CZ 4.19Å; P89-F94 WeakPolarHBondContact O-CE2 3.49Å
90E98.2Very high98Very high104 Ų10446.4 Ų46.449%0.48624%0.24SC..G310 helixtrans-66.3-20.6176.3-63.2-49.913000112.7R78 D88 F92 K115R78-E90 IonicContact CZ-OE1 2.69Å; R78-E90 IonicContact NH1-OE1 2.66Å; R78-E90 PolarHBondContact NH1-OE1 3.31Å; R78-E90 IonicContact NH2-OE1 2.69Å; R78-E90 PolarHBondContact NH2-OE1 3.33Å; D88-E90 PolarHBondContact O-N 3.26Å; D88-E90 WeakPolarHBondContact OD1-CB 3.46Å; D88-E90 PolarHBondContact OD1-N 2.88Å; E90-F92 PolarHBondContact O-N 3.43Å; E90-K115 WeakPolarHBondContact O-CE 3.35Å; E90-K115 PolarHBondContact O-NZ 3.22Å
91D98.3Very high97.7Very high54 Ų5450.8 Ų50.829%0.28926%0.259SS..G310 helixtrans-78.2-3.5172.9-71.3-29.7000112.9D88 P89 P114 K115 Q116D88-D91 WeakPolarHBondContact O-CB 3.23Å; D88-D91 PolarHBondContact O-N 3.1Å; D88-D91 VanDerWaalsContact O-N 3.07Å; P89-D91 PolarHBondContact O-N 3.02Å; D91-P114 HydrophobicContact CB-CB 3.91Å; D91-P114 CarbonylContact O-C 3.52Å; D91-P114 WeakPolarHBondContact O-CA 3.21Å; D91-K115 VanDerWaalsContact C-CE 3.46Å; D91-K115 WeakPolarHBondContact O-CB 3.28Å; D91-K115 WeakPolarHBondContact O-CE 3.47Å; D91-K115 WeakPolarHBondContact O-CG 3.32Å; D91-K115 PolarHBondContact O-N 2.66Å; D91-Q116 PolarHBondContact OD1-NE2 3.45Å
92F98.7Very high97.4Very high9 Ų951.3 Ų51.34%0.03926%0.262CS..SBendtrans-107156.7-173.9-74.8-111.2000113Y46 L81 L87 D88 P89 E90 F94 I111 L112Y46-F92 HydrophobicContact CD2-CE1 4.27Å; Y46-F92 AromaticContact CD2-CZ 3.78Å; Y46-F92 HydrophobicContact CD2-CZ 3.78Å; Y46-F92 HydrophobicContact CG-CE1 4.4Å; Y46-F92 HydrophobicContact CG-CZ 4.29Å; L81-F92 HydrophobicContact CD1-CB 4.08Å; L81-F92 HydrophobicContact CD1-CD1 3.92Å; L81-F92 HydrophobicContact CD1-CD2 4.02Å; L81-F92 HydrophobicContact CD1-CE1 4.37Å; L81-F92 HydrophobicContact CD1-CE2 4.5Å; L81-F92 HydrophobicContact CD1-CG 3.74Å; L81-F92 HydrophobicContact CD2-CD1 4Å; L81-F92 HydrophobicContact CD2-CD2 4.42Å; L81-F92 HydrophobicContact CD2-CE1 3.6Å; L81-F92 HydrophobicContact CD2-CE2 4.1Å; L81-F92 HydrophobicContact CD2-CG 4.4Å; L81-F92 HydrophobicContact CD2-CZ 3.68Å; L87-F92 HydrophobicContact CB-CE2 4.06Å; L87-F92 HydrophobicContact CB-CZ 4.42Å; L87-F92 HydrophobicContact CD1-CE2 4.17Å; L87-F92 HydrophobicContact CD1-CZ 3.71Å; D88-F92 WeakPolarHBondContact O-CD2 3.3Å; P89-F92 WeakPolarHBondContact O-CB 3.46Å; P89-F92 PolarHBondContact O-N 3.22Å; E90-F92 PolarHBondContact O-N 3.43Å; F92-F94 HydrophobicContact CB-CD2 4.4Å; F92-F94 HydrophobicContact CB-CE2 3.81Å; F92-F94 HydrophobicContact CB-CZ 4.36Å; F92-I111 HydrophobicContact CD1-CG2 3.98Å; F92-L112 WeakPolarHBondContact CA-O 3.46Å; F92-L112 VanDerWaalsContact CD1-C 3.44Å
93L98.3Very high97.1Very high24 Ų2453.2 Ų53.213%0.12628%0.278CS..EExtended strand (participates in β ladder)trans-95.5129.1164.3-70.8173.1000109.1I111 L112 K115 M118L93-I111 WeakPolarHBondContact O-CA 3.38Å; L93-L112 HydrophobicContact CB-CD2 3.69Å; L93-L112 HydrophobicContact CB-CG 4.35Å; L93-L112 HydrophobicContact CD1-CD2 4.49Å; L93-L112 PolarHBondContact N-O 3.36Å; L93-L112 PolarHBondContact O-N 2.77Å; L93-K115 HydrophobicContact CD1-CG 4.35Å; L93-K115 HydrophobicContact CD2-CD 3.69Å; L93-K115 HydrophobicContact CD2-CG 4.15Å; L93-K115 HydrophobicContact CG-CD 3.82Å; L93-K115 HydrophobicContact CG-CG 3.71Å; L93-M118 HydrophobicContact CD1-CE 3.96Å; L93-M118 HydrophobicContact CD1-SD 4.21Å
94F98.8Very high97.1Very high15 Ų1552.2 Ų52.27%0.06627%0.27CS..EExtended strand (participates in β ladder)trans-112.5127.4169.2-65.1-98000108.3R78 L81 P89 F92 M109 H110 I111 K133 V134R78-F94 HydrophobicContact CG-CE1 4.23Å; R78-F94 HydrophobicContact CG-CE2 4.4Å; R78-F94 HydrophobicContact CG-CZ 3.82Å; L81-F94 HydrophobicContact CD1-CE1 4.3Å; L81-F94 HydrophobicContact CD1-CE2 4.33Å; L81-F94 HydrophobicContact CD1-CZ 3.55Å; P89-F94 HydrophobicContact CB-CE2 4.28Å; P89-F94 HydrophobicContact CB-CZ 4.19Å; P89-F94 WeakPolarHBondContact O-CE2 3.49Å; F92-F94 HydrophobicContact CB-CD2 4.4Å; F92-F94 HydrophobicContact CB-CE2 3.81Å; F92-F94 HydrophobicContact CB-CZ 4.36Å; F94-M109 HydrophobicContact CB-SD 4.25Å; F94-M109 HydrophobicContact CD1-CE 3.76Å; F94-M109 HydrophobicContact CD1-SD 4.05Å; F94-M109 HydrophobicContact CE1-CE 4.37Å; F94-H110 WeakPolarHBondContact CA-O 3.44Å; F94-I111 HydrophobicContact CD1-CG1 3.85Å; F94-I111 HydrophobicContact CD1-CG2 4.31Å; F94-I111 HydrophobicContact CE1-CB 4.38Å; F94-I111 HydrophobicContact CE1-CD1 4.22Å; F94-I111 HydrophobicContact CE1-CG1 3.85Å; F94-I111 HydrophobicContact CE1-CG2 3.78Å; F94-I111 HydrophobicContact CZ-CG2 4.06Å; F94-K133 WeakPolarHBondContact O-CA 3.47Å; F94-V134 HydrophobicContact CB-CB 4.46Å; F94-V134 HydrophobicContact CB-CG1 3.8Å; F94-V134 HydrophobicContact CB-CG2 3.79Å; F94-V134 PolarHBondContact O-N 2.91Å; F94-V134 VanDerWaalsContact O-N 3.07Å
95G98.6Very high97.1Very high0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans174.8-172.9176.100000114.6M109 H110 R132G95-M109 CarbonylContact O-C 3.41Å; G95-M109 WeakPolarHBondContact O-CA 3.28Å; G95-H110 PolarHBondContact N-O 3.39Å; G95-H110 VanDerWaalsContact N-O 3.12Å; G95-H110 PolarHBondContact O-N 3.2Å; G95-R132 CarbonylContact C-O 3.51Å; G95-R132 WeakPolarHBondContact CA-O 3.32Å
96F98.6Very high97.1Very high3 Ų348.7 Ų48.71%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-125.8139.8-173.7-57.8-90.3000109.5A59 V70 M73 W98 L107 H108 M109 R132 V134 V137A59-F96 HydrophobicContact CB-CB 3.81Å; A59-F96 HydrophobicContact CB-CD1 4.1Å; A59-F96 HydrophobicContact CB-CG 3.89Å; V70-F96 HydrophobicContact CG1-CE2 4.41Å; M73-F96 HydrophobicContact CE-CE1 4.08Å; M73-F96 HydrophobicContact CE-CZ 4.37Å; M73-F96 HydrophobicContact SD-CE1 4.46Å; M73-F96 HydrophobicContact SD-CZ 4.32Å; F96-W98 PolarHBondContact O-N 3.08Å; F96-L107 HydrophobicContact CD1-CD1 3.74Å; F96-L107 HydrophobicContact CE1-CD1 3.52Å; F96-L107 HydrophobicContact CE1-CG 4.02Å; F96-L107 HydrophobicContact CZ-CD1 4.38Å; F96-H108 WeakPolarHBondContact CD1-O 3.42Å; F96-M109 HydrophobicContact CD1-CB 4.28Å; F96-M109 HydrophobicContact CE1-CB 3.61Å; F96-M109 HydrophobicContact CE1-CG 4.31Å; F96-M109 HydrophobicContact CE2-CG 4.42Å; F96-M109 HydrophobicContact CZ-CB 3.78Å; F96-M109 HydrophobicContact CZ-CG 4.09Å; F96-R132 PolarHBondContact N-O 2.88Å; F96-R132 PolarHBondContact O-N 3.04Å; F96-V134 HydrophobicContact CD2-CG1 4.47Å; F96-V134 HydrophobicContact CE2-CG1 3.91Å; F96-V137 HydrophobicContact CD2-CG2 3.94Å
97H98.2Very high97.1Very high19 Ų1940.8 Ų40.89%0.08822%0.218CC..EExtended strand (participates in β ladder)trans-62.6130.2156.7-74143.2000109.4P99 F101 N102 H110 M123 F124 I130H97-P99 WeakPolarHBondContact O-CD 3.1Å; H97-F101 WeakPolarHBondContact CB-O 3.36Å; H97-N102 HydrophobicContact CB-CB 4.39Å; H97-H110 AromaticContact CE1-CE1 3.38Å; H97-H110 PolarHBondContact CE1-CE1 3.24Å; H97-H110 AromaticContact CE1-NE2 3.4Å; H97-H110 PolarHBondContact CE1-NE2 2.99Å; H97-H110 AromaticContact CG-NE2 3.6Å; H97-H110 AromaticContact ND1-CE1 3.42Å; H97-H110 PolarHBondContact ND1-CE1 3.43Å; H97-H110 AromaticContact ND1-NE2 2.99Å; H97-H110 PolarHBondContact ND1-NE2 3.25Å; H97-M123 PolarHBondContact CD2-O 3.03Å; H97-M123 VanDerWaalsContact CD2-O 3.25Å; H97-M123 PolarHBondContact NE2-O 3.41Å; H97-M123 VanDerWaalsContact NE2-O 3.17Å; H97-F124 AromaticContact CE1-CZ 3.86Å; H97-F124 AromaticContact NE2-CE1 3.82Å; H97-F124 AromaticContact NE2-CZ 3.76Å; H97-I130 CarbonylContact C-O 3.54Å; H97-I130 WeakPolarHBondContact CA-O 3.45Å
98W97.2Very high97.1Very high28 Ų2839.1 Ų39.111%0.10621%0.209CC..PPolyproline II helixtrans-86.9120.5-178.1-161-110.8000109.5A59 K60 F96 F101 I130 R132 V137 K140A59-W98 HydrophobicContact CB-CE3 4.19Å; A59-W98 HydrophobicContact CB-CZ3 3.92Å; K60-W98 HydrophobicContact CG-CH2 4.04Å; K60-W98 HydrophobicContact CG-CZ2 3.63Å; F96-W98 PolarHBondContact O-N 3.08Å; W98-F101 WeakPolarHBondContact O-CB 3.42Å; W98-F101 VanDerWaalsContact O-CD2 3.29Å; W98-F101 WeakPolarHBondContact O-CD2 3.42Å; W98-F101 PolarHBondContact O-N 3.43Å; W98-F101 VanDerWaalsContact O-N 3.14Å; W98-I130 WeakPolarHBondContact CB-O 3.4Å; W98-I130 PolarHBondContact N-O 3.1Å; W98-R132 HydrophobicContact CB-CG 4.34Å; W98-R132 HydrophobicContact CD2-CG 4.29Å; W98-R132 VanDerWaalsContact CE3-CD 3.43Å; W98-R132 HydrophobicContact CE3-CG 4.14Å; W98-R132 HydrophobicContact CG-CG 4.38Å; W98-V137 HydrophobicContact CZ3-CG2 4.35Å; W98-K140 HydrophobicContact CH2-CD 4.2Å; W98-K140 HydrophobicContact CZ2-CD 4.42Å; W98-K140 VanDerWaalsContact CZ2-NZ 3.34Å
99P95.3Very high97.1Very high10 Ų1035 Ų357%0.06519%0.187CC..THydrogen-bonded Turntrans-54.9144.3-178.2-24.428.7000113.1N58 K60 H97 F101 N102N58-P99 HydrophobicContact CB-CG 3.73Å; N58-P99 VanDerWaalsContact OD1-CG 3.23Å; N58-P99 WeakPolarHBondContact OD1-CG 3.36Å; K60-P99 HydrophobicContact CB-CG 4.21Å; K60-P99 HydrophobicContact CD-CB 3.91Å; K60-P99 HydrophobicContact CD-CG 4.07Å; K60-P99 WeakPolarHBondContact CE-O 3.41Å; K60-P99 HydrophobicContact CG-CB 4.29Å; K60-P99 HydrophobicContact CG-CG 3.89Å; K60-P99 PolarHBondContact NZ-O 3.25Å; H97-P99 WeakPolarHBondContact O-CD 3.1Å; P99-F101 VanDerWaalsContact C-N 3.35Å; P99-N102 WeakPolarHBondContact CA-OD1 3.17Å; P99-N102 WeakPolarHBondContact CB-OD1 3.39Å; P99-N102 WeakPolarHBondContact CG-OD1 3.35Å
100P94.7Very high97.1Very high103 Ų10334.9 Ų34.967%0.66919%0.186SC*.THydrogen-bonded Turncis-85.26.612.135.7-36.7000114.9N102P100-N102 PolarHBondContact O-N 3.02Å
101F93.4Very high97.2Very high106 Ų10630 Ų3047%0.46516%0.163SC..SBendtrans-77.726.5-172.9-53.5-70.7000115.1H97 W98 P99 I130H97-F101 WeakPolarHBondContact CB-O 3.36Å; W98-F101 WeakPolarHBondContact O-CB 3.42Å; W98-F101 VanDerWaalsContact O-CD2 3.29Å; W98-F101 WeakPolarHBondContact O-CD2 3.42Å; W98-F101 PolarHBondContact O-N 3.43Å; W98-F101 VanDerWaalsContact O-N 3.14Å; P99-F101 VanDerWaalsContact C-N 3.35Å; F101-I130 HydrophobicContact CB-CG2 3.81Å; F101-I130 HydrophobicContact CD2-CB 4.34Å; F101-I130 HydrophobicContact CD2-CG1 3.92Å; F101-I130 HydrophobicContact CD2-CG2 4.35Å; F101-I130 HydrophobicContact CE2-CG1 4.08Å; F101-I130 HydrophobicContact CG-CG1 4.15Å; F101-I130 HydrophobicContact CG-CG2 4.11Å; F101-I130 HydrophobicContact CZ-CG1 4.44Å
102N92Very high97.2Very high11 Ų1127.4 Ų27.46%0.05915%0.149CC..  trans-106.9126175.264.5-78.4000109.3H97 P99 P100 V104 H105H97-N102 HydrophobicContact CB-CB 4.39Å; P99-N102 WeakPolarHBondContact CA-OD1 3.17Å; P99-N102 WeakPolarHBondContact CB-OD1 3.39Å; P99-N102 WeakPolarHBondContact CG-OD1 3.35Å; P100-N102 PolarHBondContact O-N 3.02Å; N102-V104 PolarHBondContact ND2-O 3.34Å; N102-H105 PolarHBondContact ND2-ND1 2.99Å; N102-H105 VanDerWaalsContact ND2-ND1 3.15Å
103S93Very high97.2Very high111 Ų11127 Ų2778%0.77615%0.148SC*.SBendtrans-75.4-32.9-179.353.10000113.1
104V97Very high97.2Very high25 Ų2526.8 Ų26.815%0.15215%0.148CC..SBendtrans-107.5133.5176.5-176.50000109.8I14 F15 N102 H106I14-V104 HydrophobicContact CG2-CG1 3.87Å; I14-V104 HydrophobicContact CG2-CG2 4.03Å; F15-V104 HydrophobicContact CB-CG1 4.22Å; F15-V104 HydrophobicContact CD1-CG1 3.94Å; F15-V104 HydrophobicContact CD1-CG2 4.37Å; F15-V104 HydrophobicContact CD2-CB 4.12Å; F15-V104 HydrophobicContact CD2-CG1 3.68Å; F15-V104 HydrophobicContact CE1-CB 4.32Å; F15-V104 HydrophobicContact CE1-CG1 4.22Å; F15-V104 HydrophobicContact CE1-CG2 3.87Å; F15-V104 HydrophobicContact CE2-CB 3.87Å; F15-V104 HydrophobicContact CE2-CG1 3.96Å; F15-V104 HydrophobicContact CE2-CG2 4.2Å; F15-V104 HydrophobicContact CG-CB 4.45Å; F15-V104 HydrophobicContact CG-CG1 3.67Å; F15-V104 HydrophobicContact CZ-CB 3.99Å; F15-V104 HydrophobicContact CZ-CG1 4.23Å; F15-V104 HydrophobicContact CZ-CG2 3.78Å; N102-V104 PolarHBondContact ND2-O 3.34Å; V104-H106 HydrophobicContact CG1-CB 4.11Å; V104-H106 PolarHBondContact O-N 3.13Å; V104-H106 VanDerWaalsContact O-N 3.13Å
105H96.8Very high97.1Very high94 Ų9429.8 Ų29.844%0.43516%0.161SC..SBendtrans-86.650.7177.8-70.5-37.7000112.4H55 R57 N102H55-H105 PolarHBondContact CE1-O 3.46Å; H55-H105 PolarHBondContact NE2-O 3.36Å; R57-H105 HydrophobicContact CG-CB 4.05Å; R57-H105 CarbonylContact O-C 2.89Å; R57-H105 WeakPolarHBondContact O-CA 3.38Å; N102-H105 PolarHBondContact ND2-ND1 2.99Å; N102-H105 VanDerWaalsContact ND2-ND1 3.15Å
106H98.2Very high97Very high0 Ų035.8 Ų35.80%019%0.189CC..SBendtrans-141138.4170.6-170.8116.4000107.4F15 C16 P52 H55 I56 R57 V104 H108F15-H106 HydrophobicContact CB-CB 3.68Å; F15-H106 HydrophobicContact CD2-CB 3.99Å; F15-H106 HydrophobicContact CG-CB 4.25Å; C16-H106 PolarHBondContact SG-ND1 2.85Å; P52-H106 PolarHBondContact O-CE1 2.86Å; P52-H106 PolarHBondContact O-NE2 2.94Å; H55-H106 AromaticContact ND1-ND1 3.26Å; H55-H106 PolarHBondContact ND1-ND1 3.22Å; I56-H106 CarbonylContact O-C 3.36Å; I56-H106 WeakPolarHBondContact O-CA 3.5Å; R57-H106 CarbonylContact O-C 3.55Å; R57-H106 WeakPolarHBondContact O-CA 3.15Å; R57-H106 PolarHBondContact O-N 2.89Å; V104-H106 HydrophobicContact CG1-CB 4.11Å; V104-H106 PolarHBondContact O-N 3.13Å; V104-H106 VanDerWaalsContact O-N 3.13Å; H106-H108 PolarHBondContact O-N 3.44Å; H106-H108 PolarHBondContact O-ND1 3.4Å
107L98.5Very high96.9Very high1 Ų141.4 Ų41.41%0.00522%0.219CC..  trans-59.5119.8-177.2177.371.2000109.6P52 I56 A59 L62 L69 M73 F96P52-L107 WeakPolarHBondContact CD-O 3.34Å; P52-L107 HydrophobicContact CG-CB 4.3Å; P52-L107 HydrophobicContact CG-CD2 4.2Å; I56-L107 HydrophobicContact CB-CB 3.87Å; I56-L107 HydrophobicContact CB-CD2 4.27Å; I56-L107 HydrophobicContact CD1-CD2 4.09Å; I56-L107 HydrophobicContact CG2-CB 4.09Å; I56-L107 HydrophobicContact CG2-CD2 4.29Å; I56-L107 WeakPolarHBondContact O-CB 3.14Å; I56-L107 PolarHBondContact O-N 3.19Å; A59-L107 HydrophobicContact CB-CD1 4.03Å; L62-L107 HydrophobicContact CD1-CD1 3.99Å; L62-L107 HydrophobicContact CD1-CD2 4.47Å; L62-L107 HydrophobicContact CD2-CD2 3.73Å; L62-L107 HydrophobicContact CG-CD1 4.25Å; L62-L107 HydrophobicContact CG-CD2 4.33Å; L69-L107 HydrophobicContact CD2-CD2 3.9Å; M73-L107 HydrophobicContact CE-CD2 4.5Å; M73-L107 HydrophobicContact CE-CG 4.41Å; M73-L107 HydrophobicContact SD-CD2 3.96Å; M73-L107 HydrophobicContact SD-CG 4.47Å; F96-L107 HydrophobicContact CD1-CD1 3.74Å; F96-L107 HydrophobicContact CE1-CD1 3.52Å; F96-L107 HydrophobicContact CE1-CG 4.02Å; F96-L107 HydrophobicContact CZ-CD1 4.38Å
108H98.7Very high96.9Very high12 Ų1242.4 Ų42.46%0.05622%0.224CC..  trans-138.3125.817955.3-90.1000110F15 Q49 C50 V51 F96 H106 H110F15-H108 HydrophobicContact CD2-CB 3.99Å; F15-H108 HydrophobicContact CE2-CB 3.56Å; F15-H108 AromaticContact CE2-CG 3.55Å; F15-H108 AromaticContact CE2-ND1 3.51Å; Q49-H108 PolarHBondContact OE1-CD2 2.81Å; Q49-H108 VanDerWaalsContact OE1-CD2 3.23Å; C50-H108 WeakPolarHBondContact O-CA 3.35Å; V51-H108 HydrophobicContact CG1-CB 3.64Å; F96-H108 WeakPolarHBondContact CD1-O 3.42Å; H106-H108 PolarHBondContact O-N 3.44Å; H106-H108 PolarHBondContact O-ND1 3.4Å; H108-H110 AromaticContact CD2-CD2 3.89Å; H108-H110 AromaticContact CD2-NE2 3.39Å; H108-H110 PolarHBondContact CD2-NE2 3.11Å; H108-H110 AromaticContact NE2-NE2 3.54Å
109M98.8Very high96.8Very high0 Ų044.2 Ų44.20%025%0.251CS..EExtended strand (participates in β ladder)trans-90.4121.2172.2-176.1-177.567.700108.1C50 M73 I74 F94 G95 F96 I111 V134C50-M109 HydrophobicContact CB-CB 4.36Å; C50-M109 HydrophobicContact CB-CE 3.88Å; C50-M109 PolarHBondContact N-O 2.97Å; C50-M109 PolarHBondContact O-N 3.09Å; M73-M109 VanDerWaalsContact C-CE 3.5Å; M73-M109 HydrophobicContact CB-CE 4.05Å; M73-M109 HydrophobicContact CB-SD 4.17Å; M73-M109 HydrophobicContact CE-CB 3.62Å; M73-M109 WeakPolarHBondContact O-CE 3.42Å; I74-M109 HydrophobicContact CG1-SD 4.21Å; F94-M109 HydrophobicContact CB-SD 4.25Å; F94-M109 HydrophobicContact CD1-CE 3.76Å; F94-M109 HydrophobicContact CD1-SD 4.05Å; F94-M109 HydrophobicContact CE1-CE 4.37Å; G95-M109 CarbonylContact O-C 3.41Å; G95-M109 WeakPolarHBondContact O-CA 3.28Å; F96-M109 HydrophobicContact CD1-CB 4.28Å; F96-M109 HydrophobicContact CE1-CB 3.61Å; F96-M109 HydrophobicContact CE1-CG 4.31Å; F96-M109 HydrophobicContact CE2-CG 4.42Å; F96-M109 HydrophobicContact CZ-CB 3.78Å; F96-M109 HydrophobicContact CZ-CG 4.09Å; M109-I111 HydrophobicContact CE-CD1 3.87Å; M109-I111 HydrophobicContact CE-CG1 3.76Å; M109-V134 HydrophobicContact CG-CG1 4.08Å; M109-V134 HydrophobicContact SD-CG1 3.54Å; M109-V134 VanDerWaalsContact SD-CG1 3.54Å
110H98.8Very high96.7Very high4 Ų450.3 Ų50.32%0.01928%0.276CS..EExtended strand (participates in β ladder)trans-71.4133.3168.6-64.4-98.7000109.4H47 Q49 F94 G95 H97 H108 L112 F124 F131H47-H110 AromaticContact CE1-ND1 3.64Å; H47-H110 AromaticContact NE2-CE1 3.86Å; H47-H110 AromaticContact NE2-CG 3.83Å; H47-H110 AromaticContact NE2-ND1 2.89Å; H47-H110 PolarHBondContact NE2-ND1 2.69Å; Q49-H110 PolarHBondContact NE2-CE1 2.86Å; Q49-H110 PolarHBondContact NE2-ND1 3.24Å; F94-H110 WeakPolarHBondContact CA-O 3.44Å; G95-H110 PolarHBondContact N-O 3.39Å; G95-H110 VanDerWaalsContact N-O 3.12Å; G95-H110 PolarHBondContact O-N 3.2Å; H97-H110 AromaticContact CE1-CE1 3.38Å; H97-H110 PolarHBondContact CE1-CE1 3.24Å; H97-H110 AromaticContact CE1-NE2 3.4Å; H97-H110 PolarHBondContact CE1-NE2 2.99Å; H97-H110 AromaticContact CG-NE2 3.6Å; H97-H110 AromaticContact ND1-CE1 3.42Å; H97-H110 PolarHBondContact ND1-CE1 3.43Å; H97-H110 AromaticContact ND1-NE2 2.99Å; H97-H110 PolarHBondContact ND1-NE2 3.25Å; H108-H110 AromaticContact CD2-CD2 3.89Å; H108-H110 AromaticContact CD2-NE2 3.39Å; H108-H110 PolarHBondContact CD2-NE2 3.11Å; H108-H110 AromaticContact NE2-NE2 3.54Å; H110-L112 HydrophobicContact CB-CD2 4.07Å; H110-F124 HydrophobicContact CB-CE1 4.14Å; H110-F124 AromaticContact CG-CE1 3.82Å; H110-F124 AromaticContact ND1-CE1 3.52Å; H110-F124 AromaticContact ND1-CZ 3.89Å; H110-F131 HydrophobicContact CB-CE2 4.12Å
111I98.9Very high96.8Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-121.8105.9169.5-54.3167000105.7I36 H47 F48 C50 L81 F92 L93 F94 M109I36-I111 HydrophobicContact CD1-CD1 4.22Å; H47-I111 WeakPolarHBondContact CA-O 3.32Å; F48-I111 HydrophobicContact CB-CB 4.27Å; F48-I111 HydrophobicContact CD2-CB 4.4Å; F48-I111 HydrophobicContact CD2-CG2 4.31Å; F48-I111 PolarHBondContact N-O 2.8Å; F48-I111 PolarHBondContact O-N 3.01Å; C50-I111 HydrophobicContact CB-CD1 3.89Å; L81-I111 HydrophobicContact CD1-CG2 3.65Å; L81-I111 HydrophobicContact CD2-CG2 4.45Å; L81-I111 HydrophobicContact CG-CG2 4.32Å; F92-I111 HydrophobicContact CD1-CG2 3.98Å; L93-I111 WeakPolarHBondContact O-CA 3.38Å; F94-I111 HydrophobicContact CD1-CG1 3.85Å; F94-I111 HydrophobicContact CD1-CG2 4.31Å; F94-I111 HydrophobicContact CE1-CB 4.38Å; F94-I111 HydrophobicContact CE1-CD1 4.22Å; F94-I111 HydrophobicContact CE1-CG1 3.85Å; F94-I111 HydrophobicContact CE1-CG2 3.78Å; F94-I111 HydrophobicContact CZ-CG2 4.06Å; M109-I111 HydrophobicContact CE-CD1 3.87Å; M109-I111 HydrophobicContact CE-CG1 3.76Å
112L98.5Very high96.9Very high0 Ų044.7 Ų44.70%025%0.248CC..EExtended strand (participates in β ladder)trans-139.9142.8-176.275.4167.3000113.9A44 Y46 H47 F92 L93 H110 M118 F124A44-L112 HydrophobicContact CB-CB 4.1Å; A44-L112 HydrophobicContact CB-CD1 4.38Å; Y46-L112 CarbonylContact O-C 3.49Å; Y46-L112 WeakPolarHBondContact O-CA 3.4Å; Y46-L112 WeakPolarHBondContact O-CB 3.44Å; H47-L112 HydrophobicContact CB-CB 4.19Å; F92-L112 WeakPolarHBondContact CA-O 3.46Å; F92-L112 VanDerWaalsContact CD1-C 3.44Å; L93-L112 HydrophobicContact CB-CD2 3.69Å; L93-L112 HydrophobicContact CB-CG 4.35Å; L93-L112 HydrophobicContact CD1-CD2 4.49Å; L93-L112 PolarHBondContact N-O 3.36Å; L93-L112 PolarHBondContact O-N 2.77Å; H110-L112 HydrophobicContact CB-CD2 4.07Å; L112-M118 HydrophobicContact CD1-CE 3.5Å; L112-M118 HydrophobicContact CD1-SD 4.41Å; L112-M118 HydrophobicContact CG-CE 3.85Å; L112-M118 HydrophobicContact CG-SD 4.2Å; L112-F124 HydrophobicContact CD1-CB 4.43Å; L112-F124 HydrophobicContact CD1-CD1 3.45Å; L112-F124 VanDerWaalsContact CD1-CD1 3.45Å; L112-F124 HydrophobicContact CD1-CD2 4.01Å; L112-F124 HydrophobicContact CD1-CE1 3.57Å; L112-F124 HydrophobicContact CD1-CE2 4.15Å; L112-F124 HydrophobicContact CD1-CG 3.67Å; L112-F124 HydrophobicContact CD1-CZ 3.92Å; L112-F124 HydrophobicContact CD2-CD1 3.67Å; L112-F124 HydrophobicContact CD2-CE1 3.92Å; L112-F124 HydrophobicContact CG-CD1 4.23Å; L112-F124 HydrophobicContact CG-CE1 4.42Å
113G98.5Very high97.1Very high0 Ų047.4 Ų47.40%026%0.261CS..EExtended strand (participates in β ladder)trans172-171.6-175.300000113.4Y46Y46-G113 PolarHBondContact N-O 2.97Å; Y46-G113 PolarHBondContact O-N 3.32Å
114P98.3Very high97.3Very high20 Ų2042.8 Ų42.813%0.1323%0.228CC..  cis-71.8141.9-330.7-35000112D91 Q116 L117 M118D91-P114 HydrophobicContact CB-CB 3.91Å; D91-P114 CarbonylContact O-C 3.52Å; D91-P114 WeakPolarHBondContact O-CA 3.21Å; P114-Q116 PolarHBondContact O-N 3.26Å; P114-Q116 VanDerWaalsContact O-N 3.15Å; P114-L117 HydrophobicContact CG-CB 4.14Å; P114-L117 HydrophobicContact CG-CD1 3.57Å; P114-L117 HydrophobicContact CG-CG 3.78Å; P114-L117 PolarHBondContact O-N 3.34Å; P114-M118 WeakPolarHBondContact O-CG 3.48Å; P114-M118 PolarHBondContact O-N 3.02Å
115K97Very high97.3Very high79 Ų7943 Ų4334%0.34323%0.228SC..G310 helixtrans-53-36.2-175.6-79.8174.6-62.4-166.70113.1E90 D91 L93 L117 M118E90-K115 WeakPolarHBondContact O-CE 3.35Å; E90-K115 PolarHBondContact O-NZ 3.22Å; D91-K115 VanDerWaalsContact C-CE 3.46Å; D91-K115 WeakPolarHBondContact O-CB 3.28Å; D91-K115 WeakPolarHBondContact O-CE 3.47Å; D91-K115 WeakPolarHBondContact O-CG 3.32Å; D91-K115 PolarHBondContact O-N 2.66Å; L93-K115 HydrophobicContact CD1-CG 4.35Å; L93-K115 HydrophobicContact CD2-CD 3.69Å; L93-K115 HydrophobicContact CD2-CG 4.15Å; L93-K115 HydrophobicContact CG-CD 3.82Å; L93-K115 HydrophobicContact CG-CG 3.71Å; K115-L117 PolarHBondContact O-N 2.64Å; K115-M118 HydrophobicContact CG-SD 4.49Å; K115-M118 WeakPolarHBondContact O-CB 3.4Å; K115-M118 PolarHBondContact O-N 3.01Å; K115-M118 VanDerWaalsContact O-N 3.14Å
116Q96.6Very high97.2Very high126 Ų12641.8 Ų41.859%0.58923%0.227SC*.G310 helixtrans-67.8-22.6-177.3-57.582.4-8.600112.3D91 P114D91-Q116 PolarHBondContact OD1-NE2 3.45Å; P114-Q116 PolarHBondContact O-N 3.26Å; P114-Q116 VanDerWaalsContact O-N 3.15Å
117L97.4Very high97.1Very high121 Ų12150.2 Ų50.263%0.63426%0.259SS*.G310 helixtrans-99-1.3176.5-57.6-176.7000112.5P114 K115P114-L117 HydrophobicContact CG-CB 4.14Å; P114-L117 HydrophobicContact CG-CD1 3.57Å; P114-L117 HydrophobicContact CG-CG 3.78Å; P114-L117 PolarHBondContact O-N 3.34Å; K115-L117 PolarHBondContact O-N 2.64Å
118M96.5Very high97Very high40 Ų4055 Ų5520%0.19728%0.28CS..PPolyproline II helixtrans-83.2129.2179.7-66.5176.661.500110.8A44 L93 L112 P114 K115A44-M118 HydrophobicContact CB-CE 4.39Å; A44-M118 HydrophobicContact CB-CG 3.79Å; A44-M118 HydrophobicContact CB-SD 4.04Å; L93-M118 HydrophobicContact CD1-CE 3.96Å; L93-M118 HydrophobicContact CD1-SD 4.21Å; L112-M118 HydrophobicContact CD1-CE 3.5Å; L112-M118 HydrophobicContact CD1-SD 4.41Å; L112-M118 HydrophobicContact CG-CE 3.85Å; L112-M118 HydrophobicContact CG-SD 4.2Å; P114-M118 WeakPolarHBondContact O-CG 3.48Å; P114-M118 PolarHBondContact O-N 3.02Å; K115-M118 HydrophobicContact CG-SD 4.49Å; K115-M118 WeakPolarHBondContact O-CB 3.4Å; K115-M118 PolarHBondContact O-N 3.01Å; K115-M118 VanDerWaalsContact O-N 3.14Å
119G95Very high96.8Very high65 Ų6563 Ų6367%0.6731%0.31SS*.PPolyproline II helixtrans-75.1172.9165.900000112.4N121G119-N121 PolarHBondContact O-N 3.18Å
120F95.1Very high96.7Very high138 Ų13864.2 Ų64.261%0.60532%0.316SS*.PPolyproline II helixtrans-60.9124.2173.7175.1-104.9000111P122 F128F120-P122 HydrophobicContact CE1-CG 4.49Å; F120-P122 HydrophobicContact CZ-CB 4.25Å; F120-F128 AromaticContact CE2-CE2 3.82Å; F120-F128 HydrophobicContact CE2-CE2 3.82Å; F120-F128 HydrophobicContact CE2-CZ 4.26Å; F120-F128 AromaticContact CZ-CE2 3.65Å; F120-F128 HydrophobicContact CZ-CE2 3.65Å; F120-F128 AromaticContact CZ-CZ 3.78Å; F120-F128 HydrophobicContact CZ-CZ 3.78Å
121N96.6Very high96.6Very high39 Ų3964.1 Ų64.121%0.20932%0.315CS..  trans-141.3112.7173.1-173.8-24.2000110G119 M123 F124 D125G119-N121 PolarHBondContact O-N 3.18Å; N121-M123 PolarHBondContact O-N 2.95Å; N121-M123 VanDerWaalsContact O-N 3.11Å; N121-M123 WeakPolarHBondContact OD1-CB 3.48Å; N121-M123 PolarHBondContact OD1-N 3.34Å; N121-F124 HydrophobicContact CB-CD2 4.36Å; N121-F124 PolarHBondContact O-N 3.25Å; N121-F124 VanDerWaalsContact O-N 3.09Å; N121-D125 PolarHBondContact O-N 3.26Å
122P95.4Very high96.6Very high52 Ų5266.6 Ų66.634%0.33833%0.325SS..THydrogen-bonded Turntrans-63.4-20.8-175.826-34.6000113.5F120 F124 F128F120-P122 HydrophobicContact CE1-CG 4.49Å; F120-P122 HydrophobicContact CZ-CB 4.25Å; P122-F124 VanDerWaalsContact C-N 3.27Å; P122-F124 PolarHBondContact O-N 2.95Å; P122-F128 HydrophobicContact CB-CD2 3.74Å; P122-F128 HydrophobicContact CB-CE2 3.8Å; P122-F128 HydrophobicContact CB-CG 4.24Å; P122-F128 HydrophobicContact CB-CZ 4.34Å
123M96.4Very high96.6Very high68 Ų6871 Ų7134%0.33534%0.344SS..THydrogen-bonded Turntrans-69-24.9177.3-65.7-60.5-60.400113.1H97 N121 I130 F131H97-M123 PolarHBondContact CD2-O 3.03Å; H97-M123 VanDerWaalsContact CD2-O 3.25Å; H97-M123 PolarHBondContact NE2-O 3.41Å; H97-M123 VanDerWaalsContact NE2-O 3.17Å; N121-M123 PolarHBondContact O-N 2.95Å; N121-M123 VanDerWaalsContact O-N 3.11Å; N121-M123 WeakPolarHBondContact OD1-CB 3.48Å; N121-M123 PolarHBondContact OD1-N 3.34Å; M123-I130 HydrophobicContact CE-CG2 3.69Å; M123-I130 HydrophobicContact SD-CD1 4.24Å; M123-I130 HydrophobicContact SD-CG2 3.93Å; M123-F131 WeakPolarHBondContact O-CB 3.35Å
124F97Very high96.6Very high15 Ų1571 Ų717%0.06634%0.344CS..THydrogen-bonded Turntrans-114.44.1-178.5-62.8-83000113.1K43 H47 H97 H110 L112 N121 P122 F131K43-F124 HydrophobicContact CB-CD2 4.3Å; K43-F124 HydrophobicContact CB-CE2 3.7Å; K43-F124 HydrophobicContact CB-CZ 4.33Å; K43-F124 HydrophobicContact CG-CE2 3.74Å; K43-F124 HydrophobicContact CG-CZ 4.33Å; H47-F124 AromaticContact CE1-CZ 3.61Å; H47-F124 AromaticContact NE2-CE1 3.9Å; H47-F124 AromaticContact NE2-CZ 3.8Å; H97-F124 AromaticContact CE1-CZ 3.86Å; H97-F124 AromaticContact NE2-CE1 3.82Å; H97-F124 AromaticContact NE2-CZ 3.76Å; H110-F124 HydrophobicContact CB-CE1 4.14Å; H110-F124 AromaticContact CG-CE1 3.82Å; H110-F124 AromaticContact ND1-CE1 3.52Å; H110-F124 AromaticContact ND1-CZ 3.89Å; L112-F124 HydrophobicContact CD1-CB 4.43Å; L112-F124 HydrophobicContact CD1-CD1 3.45Å; L112-F124 VanDerWaalsContact CD1-CD1 3.45Å; L112-F124 HydrophobicContact CD1-CD2 4.01Å; L112-F124 HydrophobicContact CD1-CE1 3.57Å; L112-F124 HydrophobicContact CD1-CE2 4.15Å; L112-F124 HydrophobicContact CD1-CG 3.67Å; L112-F124 HydrophobicContact CD1-CZ 3.92Å; L112-F124 HydrophobicContact CD2-CD1 3.67Å; L112-F124 HydrophobicContact CD2-CE1 3.92Å; L112-F124 HydrophobicContact CG-CD1 4.23Å; L112-F124 HydrophobicContact CG-CE1 4.42Å; N121-F124 HydrophobicContact CB-CD2 4.36Å; N121-F124 PolarHBondContact O-N 3.25Å; N121-F124 VanDerWaalsContact O-N 3.09Å; P122-F124 VanDerWaalsContact C-N 3.27Å; P122-F124 PolarHBondContact O-N 2.95Å; F124-F131 AromaticContact CD1-CD2 3.89Å; F124-F131 HydrophobicContact CD1-CD2 3.89Å; F124-F131 AromaticContact CD1-CE2 3.77Å; F124-F131 HydrophobicContact CD1-CE2 3.77Å; F124-F131 HydrophobicContact CD1-CZ 4.36Å; F124-F131 HydrophobicContact CE1-CD2 4.49Å; F124-F131 HydrophobicContact CE1-CE2 4.24Å
125D95.5Very high96.6Very high28 Ų2875.6 Ų75.615%0.1536%0.363CS..  trans-95.6121.7179.1-172.7-43.1000110.3N121 R127 F128N121-D125 PolarHBondContact O-N 3.26Å; D125-R127 PolarHBondContact O-N 3.15Å; D125-R127 WeakPolarHBondContact OD1-CB 3.28Å; D125-R127 VanDerWaalsContact OD1-CG 3.22Å; D125-R127 WeakPolarHBondContact OD1-CG 3.42Å; D125-R127 IonicContact OD1-CZ 3.94Å; D125-R127 PolarHBondContact OD1-N 2.79Å; D125-R127 IonicContact OD1-NE 2.98Å; D125-R127 PolarHBondContact OD1-NE 3.29Å; D125-R127 IonicContact OD2-CZ 3.22Å; D125-R127 IonicContact OD2-NE 3.02Å; D125-R127 PolarHBondContact OD2-NE 3.29Å; D125-R127 IonicContact OD2-NH2 2.63Å; D125-R127 PolarHBondContact OD2-NH2 3.18Å; D125-F128 HydrophobicContact CB-CD2 3.86Å; D125-F128 HydrophobicContact CB-CE2 4.07Å; D125-F128 PolarHBondContact O-N 3.07Å
126T95.1Very high96.6Very high69 Ų6974.5 Ų74.542%0.42337%0.366SS..G310 helixtrans-65.9-19.5-174.454.30000113.3F128 R129 F131 K133T126-F128 PolarHBondContact O-N 3.49Å; T126-R129 PolarHBondContact O-N 2.97Å; T126-R129 VanDerWaalsContact O-N 3.13Å; T126-F131 HydrophobicContact CG2-CD1 4.25Å; T126-K133 HydrophobicContact CG2-CG 4.01Å
127R96.6Very high96.7Very high178 Ų17868.6 Ų68.667%0.67234%0.339SS*.G310 helixtrans-62.3-32.9178.8-63.7176.7-71.7176.8-2.7112.1D125 R129D125-R127 PolarHBondContact O-N 3.15Å; D125-R127 WeakPolarHBondContact OD1-CB 3.28Å; D125-R127 VanDerWaalsContact OD1-CG 3.22Å; D125-R127 WeakPolarHBondContact OD1-CG 3.42Å; D125-R127 IonicContact OD1-CZ 3.94Å; D125-R127 PolarHBondContact OD1-N 2.79Å; D125-R127 IonicContact OD1-NE 2.98Å; D125-R127 PolarHBondContact OD1-NE 3.29Å; D125-R127 IonicContact OD2-CZ 3.22Å; D125-R127 IonicContact OD2-NE 3.02Å; D125-R127 PolarHBondContact OD2-NE 3.29Å; D125-R127 IonicContact OD2-NH2 2.63Å; D125-R127 PolarHBondContact OD2-NH2 3.18Å; R127-R129 VanDerWaalsContact C-N 3.29Å; R127-R129 PolarHBondContact O-N 3.1Å
128F95.8Very high96.7Very high100 Ų10063.3 Ų63.344%0.43931%0.311SS..G310 helixtrans-84-3.3179.8-58.9-77.4000113.5F120 P122 D125 T126 I130F120-F128 AromaticContact CE2-CE2 3.82Å; F120-F128 HydrophobicContact CE2-CE2 3.82Å; F120-F128 HydrophobicContact CE2-CZ 4.26Å; F120-F128 AromaticContact CZ-CE2 3.65Å; F120-F128 HydrophobicContact CZ-CE2 3.65Å; F120-F128 AromaticContact CZ-CZ 3.78Å; F120-F128 HydrophobicContact CZ-CZ 3.78Å; P122-F128 HydrophobicContact CB-CD2 3.74Å; P122-F128 HydrophobicContact CB-CE2 3.8Å; P122-F128 HydrophobicContact CB-CG 4.24Å; P122-F128 HydrophobicContact CB-CZ 4.34Å; D125-F128 HydrophobicContact CB-CD2 3.86Å; D125-F128 HydrophobicContact CB-CE2 4.07Å; D125-F128 PolarHBondContact O-N 3.07Å; T126-F128 PolarHBondContact O-N 3.49Å; F128-I130 HydrophobicContact CB-CD1 4.03Å; F128-I130 HydrophobicContact CB-CG1 4.12Å; F128-I130 PolarHBondContact O-N 3.15Å
129R94.2Very high96.8Very high181 Ų18166 Ų6668%0.68332%0.323SS*.THydrogen-bonded Turntrans59.39.1-178.4-48174.3112.7-175.14.5114.2T126 R127T126-R129 PolarHBondContact O-N 2.97Å; T126-R129 VanDerWaalsContact O-N 3.13Å; R127-R129 VanDerWaalsContact C-N 3.29Å; R127-R129 PolarHBondContact O-N 3.1Å
130I96.9Very high96.9Very high26 Ų2666.5 Ų66.513%0.13331%0.307CS..SBendtrans-72.9-39.5170.8-65.2171.5000109.3H97 W98 F101 M123 F128H97-I130 CarbonylContact C-O 3.54Å; H97-I130 WeakPolarHBondContact CA-O 3.45Å; W98-I130 WeakPolarHBondContact CB-O 3.4Å; W98-I130 PolarHBondContact N-O 3.1Å; F101-I130 HydrophobicContact CB-CG2 3.81Å; F101-I130 HydrophobicContact CD2-CB 4.34Å; F101-I130 HydrophobicContact CD2-CG1 3.92Å; F101-I130 HydrophobicContact CD2-CG2 4.35Å; F101-I130 HydrophobicContact CE2-CG1 4.08Å; F101-I130 HydrophobicContact CG-CG1 4.15Å; F101-I130 HydrophobicContact CG-CG2 4.11Å; F101-I130 HydrophobicContact CZ-CG1 4.44Å; M123-I130 HydrophobicContact CE-CG2 3.69Å; M123-I130 HydrophobicContact SD-CD1 4.24Å; M123-I130 HydrophobicContact SD-CG2 3.93Å; F128-I130 HydrophobicContact CB-CD1 4.03Å; F128-I130 HydrophobicContact CB-CG1 4.12Å; F128-I130 PolarHBondContact O-N 3.15Å
131F97.9Very high97Very high2 Ų260.1 Ų60.11%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-108.5143.2176.7-165.5-107.7000111.6H110 M123 F124 T126 K133H110-F131 HydrophobicContact CB-CE2 4.12Å; M123-F131 WeakPolarHBondContact O-CB 3.35Å; F124-F131 AromaticContact CD1-CD2 3.89Å; F124-F131 HydrophobicContact CD1-CD2 3.89Å; F124-F131 AromaticContact CD1-CE2 3.77Å; F124-F131 HydrophobicContact CD1-CE2 3.77Å; F124-F131 HydrophobicContact CD1-CZ 4.36Å; F124-F131 HydrophobicContact CE1-CD2 4.49Å; F124-F131 HydrophobicContact CE1-CE2 4.24Å; T126-F131 HydrophobicContact CG2-CD1 4.25Å; F131-K133 HydrophobicContact CE1-CG 4.39Å
132R98.1Very high97Very high52 Ų5263.1 Ų63.120%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-127.8126.8167.5-64.4-170.9-172.6-88.6-10.3109.9G95 F96 W98 V137G95-R132 CarbonylContact C-O 3.51Å; G95-R132 WeakPolarHBondContact CA-O 3.32Å; F96-R132 PolarHBondContact N-O 2.88Å; F96-R132 PolarHBondContact O-N 3.04Å; W98-R132 HydrophobicContact CB-CG 4.34Å; W98-R132 HydrophobicContact CD2-CG 4.29Å; W98-R132 VanDerWaalsContact CE3-CD 3.43Å; W98-R132 HydrophobicContact CE3-CG 4.14Å; W98-R132 HydrophobicContact CG-CG 4.38Å; R132-V137 HydrophobicContact CB-CG2 3.82Å
133K98.5Very high97Very high92 Ų9264.3 Ų64.340%0.429%0.29SS..EExtended strand (participates in β ladder)trans-61.2150.1169.5-63-175.6177-176.20110.6F94 T126 F131 E135 S136 V137F94-K133 WeakPolarHBondContact O-CA 3.47Å; T126-K133 HydrophobicContact CG2-CG 4.01Å; F131-K133 HydrophobicContact CE1-CG 4.39Å; K133-E135 WeakPolarHBondContact CB-OE2 3.28Å; K133-E135 PolarHBondContact O-N 3.08Å; K133-S136 WeakPolarHBondContact O-CB 3.22Å; K133-S136 PolarHBondContact O-N 3.38Å; K133-S136 VanDerWaalsContact O-N 3.1Å; K133-V137 PolarHBondContact O-N 3.48Å
134V98.4Very high96.8Very high0 Ų066.4 Ų66.40%030%0.297CS..Hα-helixtrans-55.7-37.4-178.9-69.50000113I74 F94 F96 M109 S136 V137 L138I74-V134 HydrophobicContact CD1-CB 3.73Å; I74-V134 HydrophobicContact CD1-CG1 4.27Å; I74-V134 HydrophobicContact CD1-CG2 3.73Å; I74-V134 HydrophobicContact CG1-CB 3.95Å; I74-V134 HydrophobicContact CG1-CG1 3.95Å; I74-V134 HydrophobicContact CG1-CG2 3.91Å; F94-V134 HydrophobicContact CB-CB 4.46Å; F94-V134 HydrophobicContact CB-CG1 3.8Å; F94-V134 HydrophobicContact CB-CG2 3.79Å; F94-V134 PolarHBondContact O-N 2.91Å; F94-V134 VanDerWaalsContact O-N 3.07Å; F96-V134 HydrophobicContact CD2-CG1 4.47Å; F96-V134 HydrophobicContact CE2-CG1 3.91Å; M109-V134 HydrophobicContact CG-CG1 4.08Å; M109-V134 HydrophobicContact SD-CG1 3.54Å; M109-V134 VanDerWaalsContact SD-CG1 3.54Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 2.9Å; V134-V137 PolarHBondContact O-N 3.34Å; V134-V137 VanDerWaalsContact O-N 3.13Å; V134-L138 WeakPolarHBondContact O-CG 3.31Å; V134-L138 PolarHBondContact O-N 2.68Å
135E98.2Very high96.3Very high116 Ų11667.4 Ų67.454%0.54231%0.311SS..Hα-helixtrans-62.7-41.9178.9-58.474.3-159.300111.1K133 V137 L138 E139K133-E135 WeakPolarHBondContact CB-OE2 3.28Å; K133-E135 PolarHBondContact O-N 3.08Å; E135-V137 VanDerWaalsContact C-N 3.31Å; E135-V137 PolarHBondContact O-N 3.49Å; E135-L138 PolarHBondContact O-N 3.09Å; E135-E139 WeakPolarHBondContact O-CB 3.46Å; E135-E139 PolarHBondContact O-N 3.31Å
136S97.8Very high95.7Very high57 Ų5773.7 Ų73.740%0.39934%0.34SS..Hα-helixtrans-67-32.7176.5178.60000112.4K133 V134 K140K133-S136 WeakPolarHBondContact O-CB 3.22Å; K133-S136 PolarHBondContact O-N 3.38Å; K133-S136 VanDerWaalsContact O-N 3.1Å; V134-S136 VanDerWaalsContact C-N 3.33Å; V134-S136 PolarHBondContact O-N 2.9Å; S136-K140 WeakPolarHBondContact O-CB 3.18Å; S136-K140 PolarHBondContact O-N 3.39Å
137V98Very high94.7Very high2 Ų281.1 Ų81.11%0.01237%0.366CS..Hα-helixtrans-70.7-48.3175.4175.50000110.4L62 F96 W98 R132 K133 V134 E135 E139 K140 L141L62-V137 HydrophobicContact CD1-CG1 4.06Å; F96-V137 HydrophobicContact CD2-CG2 3.94Å; W98-V137 HydrophobicContact CZ3-CG2 4.35Å; R132-V137 HydrophobicContact CB-CG2 3.82Å; K133-V137 PolarHBondContact O-N 3.48Å; V134-V137 PolarHBondContact O-N 3.34Å; V134-V137 VanDerWaalsContact O-N 3.13Å; E135-V137 VanDerWaalsContact C-N 3.31Å; E135-V137 PolarHBondContact O-N 3.49Å; V137-E139 VanDerWaalsContact C-N 3.35Å; V137-E139 PolarHBondContact O-N 2.91Å; V137-K140 WeakPolarHBondContact O-CB 3.36Å; V137-K140 PolarHBondContact O-N 2.74Å; V137-L141 HydrophobicContact CG1-CD1 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.25Å; V137-L141 PolarHBondContact O-N 3.27Å
138L98.4Very high94.6Very high10 Ų1076.3 Ų76.35%0.05235%0.351CS..Hα-helixtrans-57.1-47.1177.4-75.3169.8000111.9I67 V70 M71 I74 V134 E135 K140 L141 R142I67-L138 HydrophobicContact CG1-CD2 4.48Å; I67-L138 HydrophobicContact CG2-CD2 4.03Å; V70-L138 HydrophobicContact CB-CD2 3.83Å; V70-L138 HydrophobicContact CG1-CD1 4.47Å; V70-L138 HydrophobicContact CG1-CD2 3.69Å; V70-L138 HydrophobicContact CG1-CG 3.88Å; M71-L138 HydrophobicContact CG-CD2 4.33Å; M71-L138 HydrophobicContact SD-CD1 3.56Å; M71-L138 VanDerWaalsContact SD-CD1 3.56Å; M71-L138 HydrophobicContact SD-CD2 4.1Å; I74-L138 HydrophobicContact CD1-CD1 3.75Å; V134-L138 WeakPolarHBondContact O-CG 3.31Å; V134-L138 PolarHBondContact O-N 2.68Å; E135-L138 PolarHBondContact O-N 3.09Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 3.33Å; L138-L141 VanDerWaalsContact O-N 3.1Å; L138-R142 WeakPolarHBondContact O-CG 3.31Å; L138-R142 PolarHBondContact O-N 3.31Å
139E97.9Very high94.6Very high97 Ų9775.1 Ų75.145%0.45335%0.347SS..Hα-helixtrans-58.2-45177.5-177.455.9-157.400111.9E135 V137 L141 R142 I143E135-E139 WeakPolarHBondContact O-CB 3.46Å; E135-E139 PolarHBondContact O-N 3.31Å; V137-E139 VanDerWaalsContact C-N 3.35Å; V137-E139 PolarHBondContact O-N 2.91Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.29Å; E139-R142 PolarHBondContact O-N 2.84Å; E139-I143 HydrophobicContact CG-CD1 4.08Å; E139-I143 WeakPolarHBondContact O-CG1 3.46Å; E139-I143 PolarHBondContact O-N 3.11Å; E139-I143 VanDerWaalsContact O-N 3.08Å; E139-I143 WeakPolarHBondContact OE1-CD1 3.42Å
140K96.6Very high94.6Very high74 Ų7469.2 Ų69.232%0.32233%0.328SS..Hα-helixtrans-62.1-34.8176.5178.1172.6-178.8159.30113W98 S136 V137 L138 K144W98-K140 HydrophobicContact CH2-CD 4.2Å; W98-K140 HydrophobicContact CZ2-CD 4.42Å; W98-K140 VanDerWaalsContact CZ2-NZ 3.34Å; S136-K140 WeakPolarHBondContact O-CB 3.18Å; S136-K140 PolarHBondContact O-N 3.39Å; V137-K140 WeakPolarHBondContact O-CB 3.36Å; V137-K140 PolarHBondContact O-N 2.74Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.97Å; K140-K144 WeakPolarHBondContact O-CG 3.29Å; K140-K144 PolarHBondContact O-N 3.48Å
141L97.4Very high94.5Very high5 Ų571.7 Ų71.73%0.02634%0.339CS..Hα-helixtrans-70.9-40.5177.5-65.9176000111.2L62 I67 V70 V137 L138 E139 K144 G145L62-L141 HydrophobicContact CB-CD1 4.05Å; L62-L141 HydrophobicContact CB-CD2 3.88Å; L62-L141 HydrophobicContact CD1-CD1 4.5Å; L62-L141 WeakPolarHBondContact O-CD2 3.43Å; I67-L141 HydrophobicContact CD1-CB 3.99Å; I67-L141 HydrophobicContact CG1-CB 3.77Å; I67-L141 HydrophobicContact CG1-CD1 4.04Å; V70-L141 HydrophobicContact CG2-CD1 4.26Å; V137-L141 HydrophobicContact CG1-CD1 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.25Å; V137-L141 PolarHBondContact O-N 3.27Å; L138-L141 PolarHBondContact O-N 3.33Å; L138-L141 VanDerWaalsContact O-N 3.1Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.29Å; L141-K144 PolarHBondContact O-N 3Å; L141-G145 PolarHBondContact O-N 3.13Å; L141-G145 VanDerWaalsContact O-N 3.15Å
142R97.6Very high94.2Very high102 Ų10276.1 Ų76.139%0.38536%0.36SS..Hα-helixtrans-60-53.5176.1-69.5-179-177.9112.83.2111.9I67 L138 E139 K144 G145 E146I67-R142 HydrophobicContact CD1-CG 3.77Å; L138-R142 WeakPolarHBondContact O-CG 3.31Å; L138-R142 PolarHBondContact O-N 3.31Å; E139-R142 PolarHBondContact O-N 2.84Å; R142-K144 PolarHBondContact O-N 3.31Å; R142-K144 VanDerWaalsContact O-N 3.1Å; R142-G145 PolarHBondContact O-N 3.23Å; R142-E146 PolarHBondContact O-N 3.46Å
143I95.8Very high94Very high77 Ų7777.7 Ų77.740%0.39537%0.371SS..Hα-helixtrans-56.8-31.8178.1-66.6168.2000112.4E139E139-I143 HydrophobicContact CG-CD1 4.08Å; E139-I143 WeakPolarHBondContact O-CG1 3.46Å; E139-I143 PolarHBondContact O-N 3.11Å; E139-I143 VanDerWaalsContact O-N 3.08Å; E139-I143 WeakPolarHBondContact OE1-CD1 3.42Å
144K90.3Very high93.7Very high112 Ų11276.6 Ų76.649%0.48737%0.369SS..Hα-helixtrans-76.6-30.2178-81.7-178.7169.9-164.50113.5K140 L141 R142 E146K140-K144 WeakPolarHBondContact O-CG 3.29Å; K140-K144 PolarHBondContact O-N 3.48Å; L141-K144 PolarHBondContact O-N 3Å; R142-K144 PolarHBondContact O-N 3.31Å; R142-K144 VanDerWaalsContact O-N 3.1Å; K144-E146 VanDerWaalsContact C-N 3.34Å
145G86.9Confident93.3Very high35 Ų3582.5 Ų82.536%0.36140%0.397SS..Hα-helixtrans-78.8-18.5178.800000113.6L141 R142 K147L141-G145 PolarHBondContact O-N 3.13Å; L141-G145 VanDerWaalsContact O-N 3.15Å; R142-G145 PolarHBondContact O-N 3.23Å; G145-K147 VanDerWaalsContact C-N 3.26Å; G145-K147 PolarHBondContact O-N 3.11Å
146E84.4Confident92.9Very high161 Ų16179.8 Ų79.875%0.75239%0.385SS*.THydrogen-bonded Turntrans-80.2-2.4174-67174.3175.200113.7R142 K144R142-E146 PolarHBondContact O-N 3.46Å; K144-E146 VanDerWaalsContact C-N 3.34Å
147K73.9Confident92.5Very high225 Ų22581.8 Ų81.898%0.97838%0.384SS*.  trans-107.50-179.5-66.5-175.3180-1670111.4G145G145-K147 VanDerWaalsContact C-N 3.26Å; G145-K147 PolarHBondContact O-N 3.11Å

Retrieved 147 of 147 residues in 106.6 ms (Link to these results)

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