A0A077ZLC9_TRITR Loading...

60S ribosomal protein L27

AlphaFold DB , UniProt , Accession A0A077ZLC9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 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
1M58.1Low89.1Confident249 Ų24969 Ų69100%1.22739%0.387SS*.  01250-148170.9166.300108.8
2G82.2Confident89.8Confident66 Ų6664.8 Ų64.868%0.6836%0.362SS*.  trans-76.6138.9-172.500000113.5I4G2-I4 PolarHBondContact O-N 3.21Å
3K87.6Confident90.5Very high114 Ų11459.8 Ų59.850%0.49634%0.335SS..  trans-63.1122.4179.6-159.7172.6-151.7163.80111.8K6 D30K3-K6 WeakPolarHBondContact O-CE 3.38Å; K3-D30 WeakPolarHBondContact CE-OD1 3.48Å; K3-D30 WeakPolarHBondContact CE-OD2 3.37Å; K3-D30 IonicContact NZ-OD1 3.21Å; K3-D30 PolarHBondContact NZ-OD1 3.47Å; K3-D30 IonicContact NZ-OD2 3.11Å; K3-D30 PolarHBondContact NZ-OD2 3.19Å
4I91.1Very high91Very high105 Ų10562.4 Ų62.454%0.53835%0.347SS..SBendtrans-77.9-45.5-176.7-60.4173.1000111G2 K6 P82G2-I4 PolarHBondContact O-N 3.21Å; I4-K6 PolarHBondContact O-N 3.31Å; I4-P82 HydrophobicContact CG2-CB 3.64Å; I4-P82 HydrophobicContact CG2-CG 4.05Å
5M92.4Very high91.4Very high20 Ų2060.7 Ų60.710%0.09934%0.344CS..  trans-78.3109.6179.7-60.8-64.9-94.100109.3V11 I25 T28 Y77 L80 P82M5-V11 HydrophobicContact CE-CG1 4.26Å; M5-V11 HydrophobicContact SD-CG1 4.26Å; M5-I25 HydrophobicContact CB-CD1 4.23Å; M5-I25 HydrophobicContact CE-CD1 3.59Å; M5-I25 HydrophobicContact SD-CD1 3.71Å; M5-T28 HydrophobicContact CB-CG2 4.5Å; M5-Y77 HydrophobicContact CB-CE1 4.41Å; M5-Y77 HydrophobicContact CB-CE2 3.98Å; M5-Y77 HydrophobicContact CE-CD1 3.61Å; M5-Y77 HydrophobicContact CE-CE1 3.87Å; M5-Y77 HydrophobicContact CE-CG 4.03Å; M5-Y77 HydrophobicContact CG-CD2 4.15Å; M5-Y77 HydrophobicContact CG-CE1 4.45Å; M5-Y77 HydrophobicContact CG-CE2 4.04Å; M5-Y77 HydrophobicContact CG-CG 4.42Å; M5-L80 HydrophobicContact CE-CB 3.91Å; M5-L80 HydrophobicContact CE-CD1 3.55Å; M5-L80 HydrophobicContact CE-CG 4.39Å; M5-P82 HydrophobicContact SD-CB 4.16Å
6K92.8Very high91.7Very high116 Ų11660.4 Ų60.450%0.50436%0.358SS..  trans-137156.1178.2-68.3-177.6173.8-179.90109.8K3 I4 G8 M9 I25K3-K6 WeakPolarHBondContact O-CE 3.38Å; I4-K6 PolarHBondContact O-N 3.31Å; K6-G8 PolarHBondContact O-N 3.47Å; K6-M9 HydrophobicContact CB-CG 3.94Å; K6-M9 VanDerWaalsContact O-CB 3.24Å; K6-M9 WeakPolarHBondContact O-CB 3.44Å; K6-M9 WeakPolarHBondContact O-CG 3.47Å; K6-M9 PolarHBondContact O-N 3.3Å; K6-M9 VanDerWaalsContact O-N 3.1Å; K6-I25 WeakPolarHBondContact O-CB 3.49Å
7A92.6Very high92.1Very high66 Ų6666.4 Ų66.455%0.54538%0.378SS..THydrogen-bonded Turntrans-56.6139.2170.100000110.5M9 I25A7-M9 VanDerWaalsContact C-N 3.28Å; A7-M9 PolarHBondContact O-N 3.4Å; A7-I25 WeakPolarHBondContact CA-O 3.41Å
8G93.6Very high92.4Very high9 Ų964.9 Ų64.99%0.09337%0.366CS..THydrogen-bonded Turntrans81.4-2.8-174.900000114.9K6 L24 I25 K86 V87K6-G8 PolarHBondContact O-N 3.47Å; G8-L24 WeakPolarHBondContact O-CD1 3.35Å; G8-I25 PolarHBondContact N-O 3.37Å; G8-K86 CarbonylContact O-C 3.47Å; G8-K86 WeakPolarHBondContact O-CA 3.46Å; G8-V87 PolarHBondContact O-N 3.01Å
9M95.5Very high92.7Very high13 Ų1363.5 Ų63.56%0.06436%0.364CS..EExtended strand (participates in β ladder)trans-72.9136.2170.3-68.3-69.6-68.400110.7K6 A7 L24 I25 T83 K86K6-M9 HydrophobicContact CB-CG 3.94Å; K6-M9 VanDerWaalsContact O-CB 3.24Å; K6-M9 WeakPolarHBondContact O-CB 3.44Å; K6-M9 WeakPolarHBondContact O-CG 3.47Å; K6-M9 PolarHBondContact O-N 3.3Å; K6-M9 VanDerWaalsContact O-N 3.1Å; A7-M9 VanDerWaalsContact C-N 3.28Å; A7-M9 PolarHBondContact O-N 3.4Å; M9-L24 WeakPolarHBondContact O-CD1 3.44Å; M9-I25 HydrophobicContact CB-CD1 4.18Å; M9-I25 PolarHBondContact O-N 3.17Å; M9-T83 VanDerWaalsContact CE-O 3.31Å; M9-T83 WeakPolarHBondContact CE-O 3.48Å; M9-K86 HydrophobicContact SD-CD 3.56Å; M9-K86 VanDerWaalsContact SD-CD 3.56Å; M9-K86 WeakPolarHBondContact SD-CE 3.48Å; M9-K86 HydrophobicContact SD-CG 3.53Å; M9-K86 VanDerWaalsContact SD-CG 3.53Å
10V96.7Very high92.9Very high1 Ų161.1 Ų61.11%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-84.7132.2170.6-178.10000108.8G23 L24 T83 Y85 V87 W130 F131V10-G23 CarbonylContact C-O 3.6Å; V10-G23 WeakPolarHBondContact CA-O 3.39Å; V10-L24 HydrophobicContact CG2-CD1 3.86Å; V10-T83 WeakPolarHBondContact O-CB 3.24Å; V10-T83 PolarHBondContact O-N 2.93Å; V10-T83 VanDerWaalsContact O-N 3.14Å; V10-T83 PolarHBondContact O-OG1 3.37Å; V10-Y85 WeakPolarHBondContact CB-O 3.32Å; V10-Y85 PolarHBondContact N-O 3.41Å; V10-V87 HydrophobicContact CG2-CG2 3.81Å; V10-W130 HydrophobicContact CG1-CE3 4.49Å; V10-W130 HydrophobicContact CG1-CZ3 3.79Å; V10-F131 HydrophobicContact CG1-CD2 3.64Å; V10-F131 HydrophobicContact CG1-CE2 4.06Å; V10-F131 HydrophobicContact CG2-CD2 4.19Å
11V97.5Very high93.1Very high0 Ų060.8 Ų60.80%035%0.346CS..EExtended strand (participates in β ladder)trans-126.2154.1179.9-65.90000110.2M5 G23 I25 V43 L80 L81M5-V11 HydrophobicContact CE-CG1 4.26Å; M5-V11 HydrophobicContact SD-CG1 4.26Å; V11-G23 PolarHBondContact N-O 2.88Å; V11-G23 PolarHBondContact O-N 2.64Å; V11-I25 HydrophobicContact CG1-CD1 3.69Å; V11-I25 HydrophobicContact CG1-CG1 3.78Å; V11-I25 HydrophobicContact CG2-CG1 4.14Å; V11-V43 HydrophobicContact CG2-CG1 4.07Å; V11-V43 HydrophobicContact CG2-CG2 4.33Å; V11-L80 HydrophobicContact CB-CB 4.4Å; V11-L80 HydrophobicContact CB-CD2 4.38Å; V11-L80 HydrophobicContact CG2-CD1 4.4Å; V11-L80 HydrophobicContact CG2-CD2 3.95Å; V11-L81 CarbonylContact C-O 3.58Å; V11-L81 WeakPolarHBondContact CA-O 3.21Å
12L97.8Very high95Very high18 Ų1849.1 Ų49.19%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-101.9132.4166.8-78.4164.5000108.9K22 L80 L81 T83 W130 L135L12-K22 HydrophobicContact CD2-CB 4.45Å; L12-K22 HydrophobicContact CD2-CG 3.5Å; L12-K22 HydrophobicContact CG-CG 4.47Å; L12-L80 CarbonylContact O-C 3.59Å; L12-L80 WeakPolarHBondContact O-CA 3.34Å; L12-L81 HydrophobicContact CB-CB 4.12Å; L12-L81 HydrophobicContact CB-CD2 4.45Å; L12-L81 HydrophobicContact CD1-CD2 4.11Å; L12-L81 PolarHBondContact N-O 3.09Å; L12-L81 PolarHBondContact O-N 3.16Å; L12-T83 HydrophobicContact CD1-CG2 4.18Å; L12-T83 HydrophobicContact CG-CG2 4.18Å; L12-W130 HydrophobicContact CD1-CH2 4.38Å; L12-L135 HydrophobicContact CD1-CD2 3.99Å; L12-L135 HydrophobicContact CD2-CD2 3.78Å
13V98.3Very high95.8Very high1 Ų146 Ų461%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-79.6126.9175.2177.30000108.6A15 Y18 A19 G20 R21 F71 Y75 L80V13-A15 WeakPolarHBondContact CG1-O 3.42Å; V13-Y18 VanDerWaalsContact CB-O 3.3Å; V13-Y18 WeakPolarHBondContact CB-O 3.34Å; V13-Y18 WeakPolarHBondContact CG1-O 3.19Å; V13-A19 CarbonylContact O-C 3.55Å; V13-G20 PolarHBondContact O-N 3.4Å; V13-R21 PolarHBondContact N-O 3.27Å; V13-F71 HydrophobicContact CG2-CZ 4.31Å; V13-Y75 HydrophobicContact CG1-CD1 4.19Å; V13-Y75 HydrophobicContact CG1-CE1 3.45Å; V13-Y75 VanDerWaalsContact CG1-CE1 3.45Å; V13-Y75 HydrophobicContact CG2-CE1 4.32Å; V13-Y75 HydrophobicContact CG2-CE2 3.97Å; V13-L80 HydrophobicContact CG2-CD2 4.08Å
14L98.1Very high96.2Very high96 Ų9640.7 Ų40.750%0.50323%0.233SC..  trans-93.1-30.2-177.8-63177.4000112.9H79 L81L14-H79 PolarHBondContact N-O 2.95Å; L14-L81 HydrophobicContact CD1-CB 4.11Å; L14-L81 HydrophobicContact CD2-CB 3.86Å; L14-L81 HydrophobicContact CG-CB 4.05Å
15A97.1Very high96.4Very high37 Ų3735.7 Ų35.731%0.30621%0.207SC..SBendtrans-131.7155.8-170.700000114.5V13 H79V13-A15 WeakPolarHBondContact CG1-O 3.42Å; A15-H79 HydrophobicContact CB-CB 4.24Å
16G96.8Very high96.5Very high55 Ų5534.8 Ų34.857%0.56720%0.203SC*.SBendtrans81.3-168.5176.300000114.5Y18 A19G16-Y18 PolarHBondContact O-N 3.06Å; G16-A19 WeakPolarHBondContact O-CB 3.47Å; G16-A19 PolarHBondContact O-N 3.04Å
17K97.2Very high96.5Very high162 Ų16235.3 Ų35.370%0.70420%0.202SC*.THydrogen-bonded Turntrans-49.2-30.8-175.4178.8173.8-179.8169.80115.2
18Y97.9Very high96.5Very high41 Ų4133.9 Ų33.916%0.16119%0.186CC..THydrogen-bonded Turntrans-107.724.5-177.6-51.7-72.5000112.5V13 G16 R21 D47 F71 K73 Y75V13-Y18 VanDerWaalsContact CB-O 3.3Å; V13-Y18 WeakPolarHBondContact CB-O 3.34Å; V13-Y18 WeakPolarHBondContact CG1-O 3.19Å; G16-Y18 PolarHBondContact O-N 3.06Å; Y18-R21 WeakPolarHBondContact O-CB 3.31Å; Y18-R21 WeakPolarHBondContact O-CG 3.3Å; Y18-R21 PolarHBondContact O-N 3Å; Y18-R21 VanDerWaalsContact O-N 3.11Å; Y18-D47 HydrophobicContact CD1-CB 4.06Å; Y18-D47 HydrophobicContact CE1-CB 3.82Å; Y18-F71 HydrophobicContact CD1-CB 4.38Å; Y18-F71 AromaticContact CD1-CD1 3.61Å; Y18-F71 HydrophobicContact CD1-CD1 3.61Å; Y18-F71 HydrophobicContact CD1-CD2 4.35Å; Y18-F71 AromaticContact CD1-CE1 3.85Å; Y18-F71 HydrophobicContact CD1-CE1 3.85Å; Y18-F71 AromaticContact CD1-CG 3.85Å; Y18-F71 HydrophobicContact CD1-CG 3.85Å; Y18-F71 HydrophobicContact CD1-CZ 4.34Å; Y18-F71 HydrophobicContact CD2-CD1 4.47Å; Y18-F71 AromaticContact CD2-CD2 3.75Å; Y18-F71 HydrophobicContact CD2-CD2 3.75Å; Y18-F71 AromaticContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CG 4.02Å; Y18-F71 HydrophobicContact CD2-CZ 4.37Å; Y18-F71 HydrophobicContact CE1-CB 3.78Å; Y18-F71 AromaticContact CE1-CD1 3.83Å; Y18-F71 HydrophobicContact CE1-CD1 3.83Å; Y18-F71 HydrophobicContact CE1-CD2 4.47Å; Y18-F71 AromaticContact CE1-CG 3.77Å; Y18-F71 HydrophobicContact CE1-CG 3.77Å; Y18-F71 HydrophobicContact CE2-CB 4.01Å; Y18-F71 AromaticContact CE2-CD2 3.88Å; Y18-F71 HydrophobicContact CE2-CD2 3.88Å; Y18-F71 AromaticContact CE2-CG 3.93Å; Y18-F71 HydrophobicContact CE2-CG 3.93Å; Y18-F71 AromaticContact CG-CD1 3.95Å; Y18-F71 HydrophobicContact CG-CD1 3.95Å; Y18-F71 AromaticContact CG-CD2 3.98Å; Y18-F71 HydrophobicContact CG-CD2 3.98Å; Y18-F71 AromaticContact CG-CE1 3.89Å; Y18-F71 HydrophobicContact CG-CE1 3.89Å; Y18-F71 AromaticContact CG-CE2 3.97Å; Y18-F71 HydrophobicContact CG-CE2 3.97Å; Y18-F71 AromaticContact CG-CG 3.97Å; Y18-F71 HydrophobicContact CG-CG 3.97Å; Y18-F71 AromaticContact CG-CZ 3.9Å; Y18-F71 HydrophobicContact CG-CZ 3.9Å; Y18-F71 AromaticContact CZ-CG 3.79Å; Y18-K73 HydrophobicContact CD2-CD 4.2Å; Y18-K73 HydrophobicContact CE2-CD 4.24Å; Y18-Y75 WeakPolarHBondContact CB-OH 3.25Å; Y18-Y75 VanDerWaalsContact CD2-OH 3.28Å; Y18-Y75 WeakPolarHBondContact CD2-OH 3.4Å
19A97.7Very high96.5Very high38 Ų3834.4 Ų34.431%0.31419%0.186SC..THydrogen-bonded Turntrans-53.7141.3172.500000111.4V13 G16 R21V13-A19 CarbonylContact O-C 3.55Å; G16-A19 WeakPolarHBondContact O-CB 3.47Å; G16-A19 PolarHBondContact O-N 3.04Å; A19-R21 PolarHBondContact O-N 3.42Å
20G97.2Very high96.3Very high14 Ų1436.2 Ų36.214%0.14420%0.196CC..THydrogen-bonded Turntrans70.25.6-175.700000115.4V13 F137V13-G20 PolarHBondContact O-N 3.4Å; G20-F137 VanDerWaalsContact CA-CE1 3.46Å
21R98.1Very high95.9Very high56 Ų5643.9 Ų43.921%0.21123%0.232CC..  trans-89.6143.6175.3-54.7-47.7-172.2111.714.2111.2V13 Y18 A19 D47 F71V13-R21 PolarHBondContact N-O 3.27Å; Y18-R21 WeakPolarHBondContact O-CB 3.31Å; Y18-R21 WeakPolarHBondContact O-CG 3.3Å; Y18-R21 PolarHBondContact O-N 3Å; Y18-R21 VanDerWaalsContact O-N 3.11Å; A19-R21 PolarHBondContact O-N 3.42Å; R21-D47 IonicContact CZ-OD1 3.43Å; R21-D47 PolarHBondContact NH1-O 3.35Å; R21-D47 PolarHBondContact NH2-O 3.03Å; R21-D47 IonicContact NH2-OD1 2.64Å; R21-D47 PolarHBondContact NH2-OD1 2.68Å; R21-F71 HydrophobicContact CB-CE1 3.93Å; R21-F71 HydrophobicContact CB-CZ 4.17Å; R21-F71 HydrophobicContact CG-CE1 4.4Å
22K98Very high95.2Very high4 Ų448 Ų482%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-79134.1172.2-64.2170.4-178.9169.50109.1L12 G45 I46 Y49 W130 F131 T133L12-K22 HydrophobicContact CD2-CB 4.45Å; L12-K22 HydrophobicContact CD2-CG 3.5Å; L12-K22 HydrophobicContact CG-CG 4.47Å; K22-G45 VanDerWaalsContact O-CA 3.31Å; K22-G45 WeakPolarHBondContact O-CA 3.18Å; K22-I46 PolarHBondContact O-N 3.28Å; K22-I46 VanDerWaalsContact O-N 3.11Å; K22-Y49 WeakPolarHBondContact CB-OH 3.46Å; K22-Y49 WeakPolarHBondContact CG-OH 3.31Å; K22-Y49 PolarHBondContact N-OH 3.1Å; K22-W130 HydrophobicContact CD-CE3 4.02Å; K22-W130 HydrophobicContact CD-CH2 4.12Å; K22-W130 HydrophobicContact CD-CZ3 3.8Å; K22-W130 HydrophobicContact CG-CH2 4.42Å; K22-W130 HydrophobicContact CG-CZ3 4.25Å; K22-W130 PolarHBondContact NZ-O 2.94Å; K22-F131 HydrophobicContact CB-CD2 3.84Å; K22-F131 HydrophobicContact CB-CE2 3.81Å; K22-F131 WeakPolarHBondContact CD-O 3.47Å; K22-T133 PolarHBondContact NZ-O 3.15Å
23G97.2Very high94.8Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans-130.9160177.900000111.1V10 V11 A44V10-G23 CarbonylContact C-O 3.6Å; V10-G23 WeakPolarHBondContact CA-O 3.39Å; V11-G23 PolarHBondContact N-O 2.88Å; V11-G23 PolarHBondContact O-N 2.64Å; G23-A44 CarbonylContact C-O 3.58Å; G23-A44 WeakPolarHBondContact CA-O 3.39Å
24L95.9Very high94.3Very high3 Ų357.3 Ų57.32%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-116.2130.5171.5-169.679.2000108.6G8 M9 V10 V26 V43 A44 V87 F90 F131G8-L24 WeakPolarHBondContact O-CD1 3.35Å; M9-L24 WeakPolarHBondContact O-CD1 3.44Å; V10-L24 HydrophobicContact CG2-CD1 3.86Å; L24-V26 PolarHBondContact O-N 2.68Å; L24-V43 WeakPolarHBondContact O-CA 3.19Å; L24-A44 PolarHBondContact N-O 2.77Å; L24-A44 PolarHBondContact O-N 2.85Å; L24-V87 HydrophobicContact CD1-CB 3.68Å; L24-V87 HydrophobicContact CD1-CG2 3.55Å; L24-V87 HydrophobicContact CD2-CB 4.37Å; L24-F90 HydrophobicContact CD2-CB 4.18Å; L24-F90 HydrophobicContact CD2-CD1 3.9Å; L24-F90 HydrophobicContact CD2-CD2 2.97Å; L24-F90 HydrophobicContact CD2-CE1 4.03Å; L24-F90 HydrophobicContact CD2-CE2 3.14Å; L24-F90 HydrophobicContact CD2-CG 3.42Å; L24-F90 VanDerWaalsContact CD2-CG 3.42Å; L24-F90 HydrophobicContact CD2-CZ 3.72Å; L24-F90 HydrophobicContact CG-CD2 4.47Å; L24-F131 HydrophobicContact CB-CZ 4.45Å
25I95.4Very high93.8Very high0 Ų057.5 Ų57.50%031%0.31CS..EExtended strand (participates in β ladder)trans-69.9117.1171.6-60.6-178000108.4M5 K6 A7 G8 M9 V11 T28 A41M5-I25 HydrophobicContact CB-CD1 4.23Å; M5-I25 HydrophobicContact CE-CD1 3.59Å; M5-I25 HydrophobicContact SD-CD1 3.71Å; K6-I25 WeakPolarHBondContact O-CB 3.49Å; A7-I25 WeakPolarHBondContact CA-O 3.41Å; G8-I25 PolarHBondContact N-O 3.37Å; M9-I25 HydrophobicContact CB-CD1 4.18Å; M9-I25 PolarHBondContact O-N 3.17Å; V11-I25 HydrophobicContact CG1-CD1 3.69Å; V11-I25 HydrophobicContact CG1-CG1 3.78Å; V11-I25 HydrophobicContact CG2-CG1 4.14Å; I25-T28 HydrophobicContact CG2-CG2 3.57Å; I25-A41 HydrophobicContact CD1-CB 4.48Å; I25-A41 HydrophobicContact CG1-CB 4.32Å; I25-A41 HydrophobicContact CG2-CB 4.01Å
26V94.6Very high93.5Very high1 Ų158.9 Ų58.91%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-86-48.3175.5178.50000109.7L24 L42 A44 F90 Y92 I97L24-V26 PolarHBondContact O-N 2.68Å; V26-L42 HydrophobicContact CB-CD2 4.41Å; V26-L42 HydrophobicContact CB-CG 4.24Å; V26-L42 WeakPolarHBondContact CB-O 3.3Å; V26-L42 HydrophobicContact CG1-CD2 4.33Å; V26-L42 PolarHBondContact N-O 3.04Å; V26-A44 HydrophobicContact CG2-CB 3.6Å; V26-F90 HydrophobicContact CB-CE1 4.49Å; V26-F90 HydrophobicContact CG1-CE1 4.25Å; V26-F90 HydrophobicContact CG2-CE1 4.04Å; V26-F90 HydrophobicContact CG2-CZ 4.11Å; V26-Y92 HydrophobicContact CG1-CD2 4.06Å; V26-Y92 HydrophobicContact CG1-CE1 3.96Å; V26-Y92 HydrophobicContact CG1-CE2 3.38Å; V26-Y92 WeakPolarHBondContact CG1-OH 3.3Å; V26-Y92 PolarHBondContact O-OH 3.01Å; V26-I97 HydrophobicContact CG1-CG2 3.85Å; V26-I97 HydrophobicContact CG2-CG2 4.49Å
27R92.8Very high93.3Very high127 Ų12760.7 Ų60.748%0.47932%0.317SS..EExtended strand (participates in β ladder)trans-144.9137.4-179-174.9170.1179169.82.6109.7F29 A41 L42R27-F29 HydrophobicContact CB-CE2 4.39Å; R27-F29 HydrophobicContact CG-CE1 4.3Å; R27-F29 HydrophobicContact CG-CE2 4.06Å; R27-F29 HydrophobicContact CG-CZ 3.86Å; R27-A41 WeakPolarHBondContact O-CA 3.4Å; R27-L42 HydrophobicContact CB-CB 4.26Å; R27-L42 PolarHBondContact N-O 2.77Å; R27-L42 PolarHBondContact O-N 2.72Å
28T93.5Very high93.2Very high36 Ų3657.9 Ų57.922%0.22130%0.302CS..EExtended strand (participates in β ladder)trans-97.7145.9174.252.60000110.2M5 I25 D30 Y77M5-T28 HydrophobicContact CB-CG2 4.5Å; I25-T28 HydrophobicContact CG2-CG2 3.57Å; T28-D30 PolarHBondContact OG1-OD2 3.25Å; T28-Y77 VanDerWaalsContact CB-OH 3.23Å; T28-Y77 WeakPolarHBondContact CB-OH 3.37Å; T28-Y77 WeakPolarHBondContact CG2-OH 3.48Å
29F93.8Very high93.1Very high20 Ų2057.4 Ų57.49%0.08831%0.307CS..EExtended strand (participates in β ladder)trans-131.690.3171.1-58.9-82.2000106.2R27 T33 A39 H40 L42 K99R27-F29 HydrophobicContact CB-CE2 4.39Å; R27-F29 HydrophobicContact CG-CE1 4.3Å; R27-F29 HydrophobicContact CG-CE2 4.06Å; R27-F29 HydrophobicContact CG-CZ 3.86Å; F29-T33 HydrophobicContact CB-CG2 4.4Å; F29-T33 HydrophobicContact CD1-CG2 4.26Å; F29-A39 WeakPolarHBondContact O-CA 3.36Å; F29-H40 CarbonylContact C-O 3.58Å; F29-H40 WeakPolarHBondContact CA-O 3.28Å; F29-H40 WeakPolarHBondContact CB-O 3.46Å; F29-H40 AromaticContact CD2-CD2 3.53Å; F29-H40 AromaticContact CD2-NE2 3.56Å; F29-H40 AromaticContact CG-CD2 3.94Å; F29-H40 AromaticContact CG-NE2 3.58Å; F29-H40 PolarHBondContact N-O 3.1Å; F29-H40 PolarHBondContact O-N 3.35Å; F29-H40 VanDerWaalsContact O-O 3.09Å; F29-L42 HydrophobicContact CE2-CB 4.37Å; F29-K99 HydrophobicContact CE1-CD 4.45Å; F29-K99 HydrophobicContact CZ-CB 4.4Å; F29-K99 HydrophobicContact CZ-CD 4.37Å
30D91.3Very high93Very high50 Ų5055.8 Ų55.827%0.26729%0.293SS..  trans-84.6-24.5-171.2-56.1-67.6000112.2K3 T28 Y77K3-D30 WeakPolarHBondContact CE-OD1 3.48Å; K3-D30 WeakPolarHBondContact CE-OD2 3.37Å; K3-D30 IonicContact NZ-OD1 3.21Å; K3-D30 PolarHBondContact NZ-OD1 3.47Å; K3-D30 IonicContact NZ-OD2 3.11Å; K3-D30 PolarHBondContact NZ-OD2 3.19Å; T28-D30 PolarHBondContact OG1-OD2 3.25Å; D30-Y77 VanDerWaalsContact OD1-CE2 3.3Å; D30-Y77 WeakPolarHBondContact OD1-CE2 3.46Å; D30-Y77 PolarHBondContact OD1-OH 2.95Å
31E88.3Confident92.9Very high162 Ų16255.1 Ų55.176%0.75729%0.286SS*.SBendtrans-95157.4173.2-69.1165.8-160.900110.6T33E31-T33 PolarHBondContact O-N 3.42Å
32S83.1Confident92.8Very high87 Ų8752.5 Ų52.561%0.60828%0.276SS*.  trans-59132.3171.447.60000110.4
33T88.9Confident92.7Very high34 Ų3452.3 Ų52.321%0.20928%0.275CS..BIsolated β-bridgetrans-104.4158.6171.360.80000109.5F29 E31 E35 R36 H40F29-T33 HydrophobicContact CB-CG2 4.4Å; F29-T33 HydrophobicContact CD1-CG2 4.26Å; E31-T33 PolarHBondContact O-N 3.42Å; T33-E35 PolarHBondContact O-N 3.22Å; T33-R36 PolarHBondContact N-O 2.92Å; T33-R36 CarbonylContact O-C 3.18Å; T33-R36 PolarHBondContact O-N 2.92Å; T33-R36 PolarHBondContact OG1-N 2.95Å; T33-R36 PolarHBondContact OG1-O 3.01Å; T33-H40 PolarHBondContact OG1-CE1 3.39Å; T33-H40 VanDerWaalsContact OG1-CE1 3.31Å
34N87.4Confident92.6Very high181 Ų18152.3 Ų52.397%0.96828%0.275SS*.THydrogen-bonded Turntrans-53.7-30.7177.7-61.7-0.1000113.6
35E88.2Confident92.7Very high100 Ų10052.1 Ų52.147%0.46728%0.275SS..THydrogen-bonded Turntrans-82.6-24.7178.2-64.7177.6-172.600113.3T33 R103T33-E35 PolarHBondContact O-N 3.22Å; E35-R103 IonicContact OE1-NH2 2.78Å; E35-R103 PolarHBondContact OE1-NH2 2.78Å
36R90.5Very high92.8Very high65 Ų6552.1 Ų52.125%0.24528%0.275CS..BIsolated β-bridgetrans-150116.1-171.5-65.7179.7-177.183.810.2110.5T33 Y38T33-R36 PolarHBondContact N-O 2.92Å; T33-R36 CarbonylContact O-C 3.18Å; T33-R36 PolarHBondContact O-N 2.92Å; T33-R36 PolarHBondContact OG1-N 2.95Å; T33-R36 PolarHBondContact OG1-O 3.01Å; R36-Y38 HydrophobicContact CB-CD1 4.4Å; R36-Y38 HydrophobicContact CB-CE1 4.05Å; R36-Y38 HydrophobicContact CB-CE2 4.4Å; R36-Y38 WeakPolarHBondContact CD-OH 3.39Å; R36-Y38 HydrophobicContact CG-CE1 4.21Å; R36-Y38 PolarHBondContact O-N 2.61Å
37A93.5Very high92.9Very high93 Ų9352.9 Ų52.977%0.76928%0.279SS*.SBendtrans-78.39.8-179.400000114.8
38Y94.3Very high93.1Very high103 Ų10353.3 Ų53.340%0.40428%0.28SS..SBendtrans-126.9155.2-177.355.8-96.8000111.6R36 H40 N76R36-Y38 HydrophobicContact CB-CD1 4.4Å; R36-Y38 HydrophobicContact CB-CE1 4.05Å; R36-Y38 HydrophobicContact CB-CE2 4.4Å; R36-Y38 WeakPolarHBondContact CD-OH 3.39Å; R36-Y38 HydrophobicContact CG-CE1 4.21Å; R36-Y38 PolarHBondContact O-N 2.61Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.02Å; Y38-H40 PolarHBondContact O-N 3.18Å; Y38-H40 PolarHBondContact O-ND1 3.05Å; Y38-N76 HydrophobicContact CD2-CB 3.81Å; Y38-N76 HydrophobicContact CE2-CB 3.69Å
39A94.6Very high93.3Very high31 Ų3152.3 Ų52.326%0.25627%0.272SS..  trans-64.7130.6176.700000111.5F29 N76 Y77F29-A39 WeakPolarHBondContact O-CA 3.36Å; A39-N76 PolarHBondContact O-OD1 3.2Å; A39-Y77 HydrophobicContact CB-CD2 3.66Å; A39-Y77 HydrophobicContact CB-CE2 3.88Å; A39-Y77 HydrophobicContact CB-CG 4.19Å; A39-Y77 PolarHBondContact O-N 2.85Å
40H95.7Very high93.5Very high4 Ų452 Ų522%0.01927%0.273CS..EExtended strand (participates in β ladder)trans-148160-17459.4-82.7000112.9F29 T33 Y38 I74 Y75 Y77F29-H40 CarbonylContact C-O 3.58Å; F29-H40 WeakPolarHBondContact CA-O 3.28Å; F29-H40 WeakPolarHBondContact CB-O 3.46Å; F29-H40 AromaticContact CD2-CD2 3.53Å; F29-H40 AromaticContact CD2-NE2 3.56Å; F29-H40 AromaticContact CG-CD2 3.94Å; F29-H40 AromaticContact CG-NE2 3.58Å; F29-H40 PolarHBondContact N-O 3.1Å; F29-H40 PolarHBondContact O-N 3.35Å; F29-H40 VanDerWaalsContact O-O 3.09Å; T33-H40 PolarHBondContact OG1-CE1 3.39Å; T33-H40 VanDerWaalsContact OG1-CE1 3.31Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.02Å; Y38-H40 PolarHBondContact O-N 3.18Å; Y38-H40 PolarHBondContact O-ND1 3.05Å; H40-I74 HydrophobicContact CB-CG2 3.99Å; H40-I74 VanDerWaalsContact CD2-CG2 3.44Å; H40-I74 WeakPolarHBondContact CD2-CG2 3.35Å; H40-Y75 CarbonylContact C-O 3.59Å; H40-Y75 WeakPolarHBondContact CA-O 3.44Å; H40-Y75 WeakPolarHBondContact CB-O 3.44Å; H40-Y77 WeakPolarHBondContact O-CE1 3.32Å
41A95.6Very high93.7Very high0 Ų054.1 Ų54.10%028%0.284CS..EExtended strand (participates in β ladder)trans-126.8143.5175.800000111.1I25 R27 V43 I74 Y75 Y77 L80I25-A41 HydrophobicContact CD1-CB 4.48Å; I25-A41 HydrophobicContact CG1-CB 4.32Å; I25-A41 HydrophobicContact CG2-CB 4.01Å; R27-A41 WeakPolarHBondContact O-CA 3.4Å; A41-V43 HydrophobicContact CB-CG2 4.03Å; A41-V43 PolarHBondContact O-N 3.5Å; A41-I74 CarbonylContact O-C 3.54Å; A41-I74 VanDerWaalsContact O-CA 3.32Å; A41-I74 WeakPolarHBondContact O-CA 3.39Å; A41-Y75 PolarHBondContact N-O 3.39Å; A41-Y75 PolarHBondContact O-N 2.67Å; A41-Y77 HydrophobicContact CB-CD1 4.34Å; A41-Y77 HydrophobicContact CB-CE1 3.66Å; A41-L80 HydrophobicContact CB-CD1 4.21Å
42L95.5Very high94Very high1 Ų154.7 Ų54.71%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-77.1116.5160.4-179.457.7000108.6V26 R27 F29 L72 I74 I97 F102V26-L42 HydrophobicContact CB-CD2 4.41Å; V26-L42 HydrophobicContact CB-CG 4.24Å; V26-L42 WeakPolarHBondContact CB-O 3.3Å; V26-L42 HydrophobicContact CG1-CD2 4.33Å; V26-L42 PolarHBondContact N-O 3.04Å; R27-L42 HydrophobicContact CB-CB 4.26Å; R27-L42 PolarHBondContact N-O 2.77Å; R27-L42 PolarHBondContact O-N 2.72Å; F29-L42 HydrophobicContact CE2-CB 4.37Å; L42-L72 HydrophobicContact CD1-CD1 3.78Å; L42-L72 HydrophobicContact CD1-CD2 4.28Å; L42-L72 HydrophobicContact CD1-CG 3.79Å; L42-L72 HydrophobicContact CG-CD1 4.08Å; L42-I74 HydrophobicContact CD1-CG1 4Å; L42-I97 HydrophobicContact CD2-CG2 4.05Å; L42-F102 HydrophobicContact CD1-CE2 3.52Å; L42-F102 HydrophobicContact CD1-CZ 3.67Å
43V96.2Very high94.5Very high0 Ų053.7 Ų53.70%027%0.27CS..EExtended strand (participates in β ladder)trans-116.5128.8-176.5-179.60000110.2V11 L24 A41 L72 K73 Y75 L80V11-V43 HydrophobicContact CG2-CG1 4.07Å; V11-V43 HydrophobicContact CG2-CG2 4.33Å; L24-V43 WeakPolarHBondContact O-CA 3.19Å; A41-V43 HydrophobicContact CB-CG2 4.03Å; A41-V43 PolarHBondContact O-N 3.5Å; V43-L72 WeakPolarHBondContact O-CA 3.49Å; V43-K73 PolarHBondContact N-O 2.94Å; V43-K73 PolarHBondContact O-N 3.14Å; V43-Y75 HydrophobicContact CB-CD2 3.85Å; V43-Y75 HydrophobicContact CB-CE2 4.18Å; V43-Y75 HydrophobicContact CG2-CD2 3.9Å; V43-L80 HydrophobicContact CG2-CD1 3.92Å; V43-L80 HydrophobicContact CG2-CD2 4.32Å
44A96.5Very high94.8Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-100.2118.1167.800000108.8G23 L24 V26 F71 L72 V115 F119G23-A44 CarbonylContact C-O 3.58Å; G23-A44 WeakPolarHBondContact CA-O 3.39Å; L24-A44 PolarHBondContact N-O 2.77Å; L24-A44 PolarHBondContact O-N 2.85Å; V26-A44 HydrophobicContact CG2-CB 3.6Å; A44-F71 CarbonylContact C-O 3.49Å; A44-F71 WeakPolarHBondContact CA-O 3.31Å; A44-L72 HydrophobicContact CB-CD1 3.97Å; A44-V115 HydrophobicContact CB-CG1 3.88Å; A44-V115 HydrophobicContact CB-CG2 4.14Å; A44-F119 HydrophobicContact CB-CZ 4.02Å
45G97.1Very high95.2Very high0 Ų058 Ų580%028%0.276CS..EExtended strand (participates in β ladder)trans-133.1178.5-175.300000114.5K22 P70 F71K22-G45 VanDerWaalsContact O-CA 3.31Å; K22-G45 WeakPolarHBondContact O-CA 3.18Å; G45-P70 CarbonylContact O-C 3.56Å; G45-P70 WeakPolarHBondContact O-CA 3.46Å; G45-F71 VanDerWaalsContact C-CD1 3.42Å; G45-F71 PolarHBondContact N-O 3.1Å; G45-F71 WeakPolarHBondContact O-CD1 3.43Å; G45-F71 PolarHBondContact O-N 2.9Å
46I97.6Very high95.7Very high0 Ų063.2 Ų63.20%030%0.297CS..EExtended strand (participates in β ladder)trans-108.8113.9-176.3-60169.3000110.9K22 R48 Y49 I68 F119 F131 F132K22-I46 PolarHBondContact O-N 3.28Å; K22-I46 VanDerWaalsContact O-N 3.11Å; I46-R48 VanDerWaalsContact CG2-C 3.47Å; I46-R48 VanDerWaalsContact CG2-O 3.3Å; I46-R48 WeakPolarHBondContact CG2-O 3.49Å; I46-Y49 HydrophobicContact CB-CD1 4.07Å; I46-Y49 HydrophobicContact CB-CE1 3.77Å; I46-Y49 HydrophobicContact CD1-CD1 4.12Å; I46-Y49 HydrophobicContact CD1-CE1 3.92Å; I46-Y49 HydrophobicContact CG1-CE1 4.45Å; I46-Y49 HydrophobicContact CG2-CD1 3.52Å; I46-Y49 HydrophobicContact CG2-CD2 4.21Å; I46-Y49 HydrophobicContact CG2-CE1 3.75Å; I46-Y49 HydrophobicContact CG2-CE2 4.41Å; I46-Y49 HydrophobicContact CG2-CG 3.77Å; I46-I68 HydrophobicContact CG1-CG2 4.24Å; I46-I68 HydrophobicContact CG2-CG2 4.01Å; I46-F119 HydrophobicContact CG1-CD2 3.88Å; I46-F119 HydrophobicContact CG1-CE2 3.91Å; I46-F131 HydrophobicContact CD1-CD1 3.74Å; I46-F131 HydrophobicContact CD1-CE1 3.41Å; I46-F131 VanDerWaalsContact CD1-CE1 3.41Å; I46-F131 HydrophobicContact CD1-CZ 3.97Å; I46-F131 HydrophobicContact CG1-CE1 3.98Å; I46-F131 HydrophobicContact CG1-CZ 4.18Å; I46-F132 HydrophobicContact CD1-CD1 3.58Å; I46-F132 HydrophobicContact CD1-CE1 3.92Å
47D97.4Very high95.9Very high17 Ų1761.2 Ų61.29%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-93.7-28.5174.5-179.730.6000112.7Y18 R21 R69 F71Y18-D47 HydrophobicContact CD1-CB 4.06Å; Y18-D47 HydrophobicContact CE1-CB 3.82Å; R21-D47 IonicContact CZ-OD1 3.43Å; R21-D47 PolarHBondContact NH1-O 3.35Å; R21-D47 PolarHBondContact NH2-O 3.03Å; R21-D47 IonicContact NH2-OD1 2.64Å; R21-D47 PolarHBondContact NH2-OD1 2.68Å; D47-R69 WeakPolarHBondContact CA-O 3.34Å; D47-R69 PolarHBondContact N-O 3.37Å; D47-R69 IonicContact OD2-CZ 3.28Å; D47-R69 IonicContact OD2-NE 2.64Å; D47-R69 PolarHBondContact OD2-NE 3.28Å; D47-R69 IonicContact OD2-NH2 3.82Å; D47-R69 PolarHBondContact OD2-NH2 3.29Å; D47-F71 HydrophobicContact CB-CD1 3.83Å
48R97Very high96.1Very high135 Ų13559 Ų5951%0.50928%0.277SS..EExtended strand (participates in β ladder)trans-125.7111166.2-168.4179.7-69.2-158.9-2.5109I46 I68 R69I46-R48 VanDerWaalsContact CG2-C 3.47Å; I46-R48 VanDerWaalsContact CG2-O 3.3Å; I46-R48 WeakPolarHBondContact CG2-O 3.49Å; R48-I68 WeakPolarHBondContact O-CA 3.2Å; R48-R69 HydrophobicContact CB-CB 3.49Å; R48-R69 VanDerWaalsContact CB-CB 3.49Å; R48-R69 PolarHBondContact N-O 3.43Å; R48-R69 PolarHBondContact O-N 3.47Å
49Y97.4Very high96.2Very high15 Ų1561.6 Ų61.66%0.05929%0.291CS..PPolyproline II helixtrans-71.5147.3176.3-71.1-79.8000110.9K22 I46 F131 F132 K134K22-Y49 WeakPolarHBondContact CB-OH 3.46Å; K22-Y49 WeakPolarHBondContact CG-OH 3.31Å; K22-Y49 PolarHBondContact N-OH 3.1Å; I46-Y49 HydrophobicContact CB-CD1 4.07Å; I46-Y49 HydrophobicContact CB-CE1 3.77Å; I46-Y49 HydrophobicContact CD1-CD1 4.12Å; I46-Y49 HydrophobicContact CD1-CE1 3.92Å; I46-Y49 HydrophobicContact CG1-CE1 4.45Å; I46-Y49 HydrophobicContact CG2-CD1 3.52Å; I46-Y49 HydrophobicContact CG2-CD2 4.21Å; I46-Y49 HydrophobicContact CG2-CE1 3.75Å; I46-Y49 HydrophobicContact CG2-CE2 4.41Å; I46-Y49 HydrophobicContact CG2-CG 3.77Å; Y49-F131 WeakPolarHBondContact CE1-O 3.32Å; Y49-F132 VanDerWaalsContact CD1-O 3.3Å; Y49-F132 WeakPolarHBondContact CD1-O 3.48Å; Y49-K134 HydrophobicContact CD2-CB 3.68Å; Y49-K134 HydrophobicContact CD2-CD 4.49Å; Y49-K134 HydrophobicContact CD2-CG 3.77Å; Y49-K134 HydrophobicContact CE2-CB 4.13Å; Y49-K134 HydrophobicContact CE2-CG 3.99Å; Y49-K134 HydrophobicContact CG-CB 3.95Å
50P97Very high96.3Very high15 Ų1567.9 Ų67.910%0.09732%0.315CS..PPolyproline II helixtrans-64.4144.8169.529.6-31.9000109.8R65 I68 F123 F132P50-R65 CarbonylContact C-O 3.58Å; P50-R65 VanDerWaalsContact CA-O 3.31Å; P50-R65 WeakPolarHBondContact CA-O 3.49Å; P50-I68 HydrophobicContact CB-CG1 4.31Å; P50-I68 HydrophobicContact CG-CD1 4.28Å; P50-I68 HydrophobicContact CG-CG1 4.26Å; P50-F123 HydrophobicContact CB-CD1 4.2Å; P50-F123 HydrophobicContact CB-CD2 4.39Å; P50-F123 HydrophobicContact CB-CE1 3.68Å; P50-F123 HydrophobicContact CB-CE2 3.89Å; P50-F123 HydrophobicContact CB-CZ 3.51Å; P50-F123 HydrophobicContact CG-CD1 4.3Å; P50-F123 HydrophobicContact CG-CD2 3.71Å; P50-F123 HydrophobicContact CG-CE1 4.07Å; P50-F123 HydrophobicContact CG-CE2 3.44Å; P50-F123 VanDerWaalsContact CG-CE2 3.44Å; P50-F123 HydrophobicContact CG-CG 4.14Å; P50-F123 HydrophobicContact CG-CZ 3.64Å; P50-F132 HydrophobicContact CG-CB 4.18Å
51L96.1Very high96.3Very high94 Ų9473.6 Ų73.649%0.49234%0.339SS..PPolyproline II helixtrans-89.1157.2178.8-61.1176.7000110.7I53 R65L51-I53 PolarHBondContact O-N 3.4Å; L51-R65 HydrophobicContact CB-CB 4.07Å; L51-R65 HydrophobicContact CB-CG 4.09Å; L51-R65 HydrophobicContact CD1-CG 4.25Å; L51-R65 PolarHBondContact N-O 3.26Å
52K94.3Very high96.3Very high174 Ų17479 Ų7976%0.75736%0.36SS*.PPolyproline II helixtrans-57133.9175.6-174.6177.5-179.6179.80110.6
53I94.1Very high96.3Very high65 Ų6583.8 Ų83.833%0.33338%0.384SS..  trans-106.8138.1177.7-60.5170.2000108.5L51 R62 R65 S66L51-I53 PolarHBondContact O-N 3.4Å; I53-R62 HydrophobicContact CG2-CB 4.49Å; I53-R62 HydrophobicContact CG2-CG 3.71Å; I53-R65 HydrophobicContact CG1-CB 4.38Å; I53-S66 WeakPolarHBondContact CD1-OG 3.43Å
54T95.9Very high96.2Very high61 Ų6189.9 Ų89.937%0.37441%0.413SS..  trans-123.6159.4175.467.80000110.6K56 M57T54-K56 VanDerWaalsContact C-N 3.28Å; T54-K56 PolarHBondContact O-N 2.78Å; T54-M57 HydrophobicContact CG2-CE 4.02Å; T54-M57 PolarHBondContact O-N 3.11Å; T54-M57 WeakPolarHBondContact OG1-CE 3.36Å
55R95.3Very high96.2Very high246 Ų24693.6 Ų93.693%0.92843%0.427SS*.THydrogen-bonded Turntrans-60.5-33.7-176.9-67.1178.672.1174.41.6113.3M57R55-M57 PolarHBondContact O-N 2.83Å
56K97.1Very high96.1Very high208 Ų20894.5 Ų94.590%0.90443%0.433SS*.THydrogen-bonded Turntrans-68-10.4179.8-60.9-174.1177.8-174.40114.2T54T54-K56 VanDerWaalsContact C-N 3.28Å; T54-K56 PolarHBondContact O-N 2.78Å
57M96.7Very high96Very high23 Ų2396.5 Ų96.511%0.11345%0.445CS..  trans-82.3133.3-174.7-62-171.7-164.700112.7T54 R55 K61 R62T54-M57 HydrophobicContact CG2-CE 4.02Å; T54-M57 PolarHBondContact O-N 3.11Å; T54-M57 WeakPolarHBondContact OG1-CE 3.36Å; R55-M57 PolarHBondContact O-N 2.83Å; M57-K61 HydrophobicContact CG-CD 4.4Å; M57-K61 HydrophobicContact SD-CD 4.42Å; M57-K61 HydrophobicContact SD-CG 4.26Å; M57-R62 HydrophobicContact CB-CG 3.8Å; M57-R62 PolarHBondContact O-NE 3.48Å
58G97.1Very high95.9Very high47 Ų4795.9 Ų95.949%0.48544%0.442SS..  trans-62.1162.7170.900000114H60 K61 R62G58-H60 PolarHBondContact O-N 2.88Å; G58-K61 PolarHBondContact O-N 2.87Å; G58-R62 WeakPolarHBondContact O-CG 3.28Å; G58-R62 PolarHBondContact O-N 3.11Å
59K95.9Very high95.9Very high157 Ų15795.3 Ų95.368%0.68344%0.44SS*.Hα-helixtrans-56.9-47-174.8-169.1179.4-179.9-177.60112.6K61 R62 I63K59-K61 PolarHBondContact O-N 2.91Å; K59-R62 PolarHBondContact O-N 2.95Å; K59-I63 HydrophobicContact CG-CD1 4.23Å; K59-I63 WeakPolarHBondContact O-CG1 3.42Å; K59-I63 PolarHBondContact O-N 3.48Å
60H96.6Very high95.9Very high164 Ų16495.4 Ų95.476%0.75944%0.442SS*.Hα-helixtrans-61.4-45.1179.3-67.2-78.5000112.7G58 R62 I63 H64G58-H60 PolarHBondContact O-N 2.88Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.48Å; H60-I63 PolarHBondContact O-N 3.47Å; H60-H64 PolarHBondContact O-N 3.4Å
61K96.8Very high95.9Very high123 Ų12394.9 Ų94.954%0.53544%0.438SS..Hα-helixtrans-63.2-39.2177.9-168166.7-172.1166.60111.6M57 G58 K59 H64 R65M57-K61 HydrophobicContact CG-CD 4.4Å; M57-K61 HydrophobicContact SD-CD 4.42Å; M57-K61 HydrophobicContact SD-CG 4.26Å; G58-K61 PolarHBondContact O-N 2.87Å; K59-K61 PolarHBondContact O-N 2.91Å; K61-H64 PolarHBondContact O-N 3.43Å; K61-R65 WeakPolarHBondContact O-CB 3.37Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 2.81Å
62R94.9Very high95.9Very high113 Ų11390.6 Ų90.643%0.42642%0.416SS..Hα-helixtrans-63.2-43.4175.3-72-169.7-83.6178.9-3.8112.3I53 M57 G58 K59 H60 R65 S66I53-R62 HydrophobicContact CG2-CB 4.49Å; I53-R62 HydrophobicContact CG2-CG 3.71Å; M57-R62 HydrophobicContact CB-CG 3.8Å; M57-R62 PolarHBondContact O-NE 3.48Å; G58-R62 WeakPolarHBondContact O-CG 3.28Å; G58-R62 PolarHBondContact O-N 3.11Å; K59-R62 PolarHBondContact O-N 2.95Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 3.48Å; R62-R65 PolarHBondContact O-N 2.88Å; R62-S66 WeakPolarHBondContact O-CB 3.34Å; R62-S66 PolarHBondContact O-N 2.83Å; R62-S66 PolarHBondContact O-OG 3.37Å
63I94.3Very high96Very high102 Ų10286 Ų8652%0.52340%0.396SS..Hα-helixtrans-61.5-50.6176.9-67.4166.1000110K59 H60 R65 S66 T67K59-I63 HydrophobicContact CG-CD1 4.23Å; K59-I63 WeakPolarHBondContact O-CG1 3.42Å; K59-I63 PolarHBondContact O-N 3.48Å; H60-I63 PolarHBondContact O-N 3.47Å; I63-R65 PolarHBondContact O-N 2.81Å; I63-S66 PolarHBondContact O-N 3.1Å; I63-S66 VanDerWaalsContact O-N 3.1Å; I63-T67 WeakPolarHBondContact O-CG2 3.33Å; I63-T67 PolarHBondContact O-N 2.98Å
64H95.5Very high96.1Very high129 Ų12984 Ų8460%0.59739%0.385SS*.Hα-helixtrans-60.8-42.9-178.9-167.680000112.2H60 K61 S66 T67H60-H64 PolarHBondContact O-N 3.4Å; K61-H64 PolarHBondContact O-N 3.43Å; H64-S66 VanDerWaalsContact C-N 3.28Å; H64-S66 PolarHBondContact O-N 2.91Å; H64-T67 WeakPolarHBondContact O-CB 3.41Å; H64-T67 WeakPolarHBondContact O-CG2 3.36Å; H64-T67 PolarHBondContact O-N 2.98Å; H64-T67 VanDerWaalsContact O-N 3.17Å; H64-T67 PolarHBondContact O-OG1 3.38Å
65R95.7Very high96.1Very high78 Ų7881.4 Ų81.429%0.29437%0.369SS..Hα-helixtrans-68.2-23.9176.6-72.2-163.5122.1145.92.4114.4P50 L51 I53 K61 R62 I63 T67P50-R65 CarbonylContact C-O 3.58Å; P50-R65 VanDerWaalsContact CA-O 3.31Å; P50-R65 WeakPolarHBondContact CA-O 3.49Å; L51-R65 HydrophobicContact CB-CB 4.07Å; L51-R65 HydrophobicContact CB-CG 4.09Å; L51-R65 HydrophobicContact CD1-CG 4.25Å; L51-R65 PolarHBondContact N-O 3.26Å; I53-R65 HydrophobicContact CG1-CB 4.38Å; K61-R65 WeakPolarHBondContact O-CB 3.37Å; K61-R65 WeakPolarHBondContact O-CG 3.45Å; K61-R65 PolarHBondContact O-N 2.81Å; R62-R65 PolarHBondContact O-N 2.88Å; I63-R65 PolarHBondContact O-N 2.81Å; R65-T67 VanDerWaalsContact C-N 3.28Å
66S95.1Very high96.1Very high18 Ų1871.4 Ų71.413%0.12633%0.334CS..THydrogen-bonded Turntrans-84.1-1175.3-54.20000113.1I53 R62 I63 H64 I68 Q120I53-S66 WeakPolarHBondContact CD1-OG 3.43Å; R62-S66 WeakPolarHBondContact O-CB 3.34Å; R62-S66 PolarHBondContact O-N 2.83Å; R62-S66 PolarHBondContact O-OG 3.37Å; I63-S66 PolarHBondContact O-N 3.1Å; I63-S66 VanDerWaalsContact O-N 3.1Å; H64-S66 VanDerWaalsContact C-N 3.28Å; H64-S66 PolarHBondContact O-N 2.91Å; S66-I68 PolarHBondContact O-N 3.29Å; S66-Q120 PolarHBondContact O-NE2 2.96Å
67T95.4Very high96Very high43 Ų4363.4 Ų63.426%0.26430%0.298SS..  trans-71.5130.917961.60000111I63 H64 R65I63-T67 WeakPolarHBondContact O-CG2 3.33Å; I63-T67 PolarHBondContact O-N 2.98Å; H64-T67 WeakPolarHBondContact O-CB 3.41Å; H64-T67 WeakPolarHBondContact O-CG2 3.36Å; H64-T67 PolarHBondContact O-N 2.98Å; H64-T67 VanDerWaalsContact O-N 3.17Å; H64-T67 PolarHBondContact O-OG1 3.38Å; R65-T67 VanDerWaalsContact C-N 3.28Å
68I96.5Very high96Very high3 Ų366.8 Ų66.82%0.01532%0.324CS..  trans-111.6133.1178-58.8-179000107.7I46 R48 P50 S66 P70 K116 F119 Q120 F123 F132I46-I68 HydrophobicContact CG1-CG2 4.24Å; I46-I68 HydrophobicContact CG2-CG2 4.01Å; R48-I68 WeakPolarHBondContact O-CA 3.2Å; P50-I68 HydrophobicContact CB-CG1 4.31Å; P50-I68 HydrophobicContact CG-CD1 4.28Å; P50-I68 HydrophobicContact CG-CG1 4.26Å; S66-I68 PolarHBondContact O-N 3.29Å; I68-P70 WeakPolarHBondContact O-CD 3.41Å; I68-K116 WeakPolarHBondContact O-CE 3.47Å; I68-F119 HydrophobicContact CD1-CB 4.18Å; I68-F119 HydrophobicContact CG2-CB 4.42Å; I68-F119 HydrophobicContact CG2-CD2 4.45Å; I68-Q120 HydrophobicContact CB-CG 4.2Å; I68-Q120 HydrophobicContact CD1-CG 4.23Å; I68-Q120 HydrophobicContact CG1-CG 4.18Å; I68-F123 HydrophobicContact CD1-CB 3.95Å; I68-F123 HydrophobicContact CD1-CG 4.28Å; I68-F132 HydrophobicContact CD1-CD1 3.87Å; I68-F132 HydrophobicContact CD1-CE1 3.85Å
69R97.1Very high96Very high124 Ų12468.6 Ų68.647%0.46832%0.32SS..EExtended strand (participates in β ladder)trans-101.4106.1166.6-170.7166.386.9-178.25.1108D47 R48D47-R69 WeakPolarHBondContact CA-O 3.34Å; D47-R69 PolarHBondContact N-O 3.37Å; D47-R69 IonicContact OD2-CZ 3.28Å; D47-R69 IonicContact OD2-NE 2.64Å; D47-R69 PolarHBondContact OD2-NE 3.28Å; D47-R69 IonicContact OD2-NH2 3.82Å; D47-R69 PolarHBondContact OD2-NH2 3.29Å; R48-R69 HydrophobicContact CB-CB 3.49Å; R48-R69 VanDerWaalsContact CB-CB 3.49Å; R48-R69 PolarHBondContact N-O 3.43Å; R48-R69 PolarHBondContact O-N 3.47Å
70P97Very high96.1Very high16 Ų1661.5 Ų61.510%0.10429%0.289CS..EExtended strand (participates in β ladder)trans-81168.6175.236.1-37.6000111.2G45 I68 N112 V115 K116 F119G45-P70 CarbonylContact O-C 3.56Å; G45-P70 WeakPolarHBondContact O-CA 3.46Å; I68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-N112 VanDerWaalsContact CG-O 3.25Å; P70-N112 WeakPolarHBondContact CG-O 3.48Å; P70-V115 HydrophobicContact CB-CB 4.18Å; P70-V115 HydrophobicContact CB-CG1 3.57Å; P70-V115 HydrophobicContact CG-CB 4.42Å; P70-V115 HydrophobicContact CG-CG1 4.3Å; P70-K116 HydrophobicContact CG-CB 3.72Å; P70-K116 HydrophobicContact CG-CG 4.47Å; P70-F119 HydrophobicContact CB-CD2 4.2Å; P70-F119 HydrophobicContact CB-CE2 4.36Å
71F96.8Very high96.1Very high4 Ų457.8 Ų57.82%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-136.4151.3161.566.4-89.7000109.6V13 Y18 R21 A44 G45 D47 K73 Y75V13-F71 HydrophobicContact CG2-CZ 4.31Å; Y18-F71 HydrophobicContact CD1-CB 4.38Å; Y18-F71 AromaticContact CD1-CD1 3.61Å; Y18-F71 HydrophobicContact CD1-CD1 3.61Å; Y18-F71 HydrophobicContact CD1-CD2 4.35Å; Y18-F71 AromaticContact CD1-CE1 3.85Å; Y18-F71 HydrophobicContact CD1-CE1 3.85Å; Y18-F71 AromaticContact CD1-CG 3.85Å; Y18-F71 HydrophobicContact CD1-CG 3.85Å; Y18-F71 HydrophobicContact CD1-CZ 4.34Å; Y18-F71 HydrophobicContact CD2-CD1 4.47Å; Y18-F71 AromaticContact CD2-CD2 3.75Å; Y18-F71 HydrophobicContact CD2-CD2 3.75Å; Y18-F71 AromaticContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CG 4.02Å; Y18-F71 HydrophobicContact CD2-CZ 4.37Å; Y18-F71 HydrophobicContact CE1-CB 3.78Å; Y18-F71 AromaticContact CE1-CD1 3.83Å; Y18-F71 HydrophobicContact CE1-CD1 3.83Å; Y18-F71 HydrophobicContact CE1-CD2 4.47Å; Y18-F71 AromaticContact CE1-CG 3.77Å; Y18-F71 HydrophobicContact CE1-CG 3.77Å; Y18-F71 HydrophobicContact CE2-CB 4.01Å; Y18-F71 AromaticContact CE2-CD2 3.88Å; Y18-F71 HydrophobicContact CE2-CD2 3.88Å; Y18-F71 AromaticContact CE2-CG 3.93Å; Y18-F71 HydrophobicContact CE2-CG 3.93Å; Y18-F71 AromaticContact CG-CD1 3.95Å; Y18-F71 HydrophobicContact CG-CD1 3.95Å; Y18-F71 AromaticContact CG-CD2 3.98Å; Y18-F71 HydrophobicContact CG-CD2 3.98Å; Y18-F71 AromaticContact CG-CE1 3.89Å; Y18-F71 HydrophobicContact CG-CE1 3.89Å; Y18-F71 AromaticContact CG-CE2 3.97Å; Y18-F71 HydrophobicContact CG-CE2 3.97Å; Y18-F71 AromaticContact CG-CG 3.97Å; Y18-F71 HydrophobicContact CG-CG 3.97Å; Y18-F71 AromaticContact CG-CZ 3.9Å; Y18-F71 HydrophobicContact CG-CZ 3.9Å; Y18-F71 AromaticContact CZ-CG 3.79Å; R21-F71 HydrophobicContact CB-CE1 3.93Å; R21-F71 HydrophobicContact CB-CZ 4.17Å; R21-F71 HydrophobicContact CG-CE1 4.4Å; A44-F71 CarbonylContact C-O 3.49Å; A44-F71 WeakPolarHBondContact CA-O 3.31Å; G45-F71 VanDerWaalsContact C-CD1 3.42Å; G45-F71 PolarHBondContact N-O 3.1Å; G45-F71 WeakPolarHBondContact O-CD1 3.43Å; G45-F71 PolarHBondContact O-N 2.9Å; D47-F71 HydrophobicContact CB-CD1 3.83Å; F71-K73 HydrophobicContact CD2-CB 4.23Å; F71-Y75 AromaticContact CE2-CE2 3.98Å; F71-Y75 HydrophobicContact CE2-CE2 3.98Å
72L96Very high96.1Very high5 Ų554.6 Ų54.63%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-119.1126.8170.3-168.872000107.9L42 V43 A44 I97 C101 F102 A111 N112 V115L42-L72 HydrophobicContact CD1-CD1 3.78Å; L42-L72 HydrophobicContact CD1-CD2 4.28Å; L42-L72 HydrophobicContact CD1-CG 3.79Å; L42-L72 HydrophobicContact CG-CD1 4.08Å; V43-L72 WeakPolarHBondContact O-CA 3.49Å; A44-L72 HydrophobicContact CB-CD1 3.97Å; L72-I97 HydrophobicContact CD1-CG2 3.85Å; L72-I97 HydrophobicContact CD2-CG2 4.02Å; L72-C101 WeakPolarHBondContact CD2-SG 3.44Å; L72-F102 HydrophobicContact CD2-CZ 4.22Å; L72-F102 HydrophobicContact CG-CZ 3.97Å; L72-F102 WeakPolarHBondContact O-CE1 3.32Å; L72-A111 HydrophobicContact CD2-CB 3.95Å; L72-N112 PolarHBondContact N-OD1 2.86Å; L72-N112 VanDerWaalsContact N-OD1 3.11Å; L72-V115 HydrophobicContact CD1-CG2 4.5Å
73K96.2Very high96.2Very high77 Ų7750.1 Ų50.134%0.33525%0.252SS..EExtended strand (participates in β ladder)trans-154.4148.7-179.6-174.5167.1177.7-174.60111.2Y18 V43 F71 Y75Y18-K73 HydrophobicContact CD2-CD 4.2Å; Y18-K73 HydrophobicContact CE2-CD 4.24Å; V43-K73 PolarHBondContact N-O 2.94Å; V43-K73 PolarHBondContact O-N 3.14Å; F71-K73 HydrophobicContact CD2-CB 4.23Å; K73-Y75 HydrophobicContact CB-CD2 4.36Å; K73-Y75 HydrophobicContact CB-CE2 3.71Å; K73-Y75 HydrophobicContact CD-CE1 4.13Å; K73-Y75 HydrophobicContact CD-CE2 4.22Å; K73-Y75 HydrophobicContact CG-CD2 4.4Å; K73-Y75 HydrophobicContact CG-CE2 3.94Å
74I95.4Very high96.2Very high22 Ų2256.1 Ų56.111%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-87.9131.2171.2-62.2170.8000108.8H40 A41 L42 F102H40-I74 HydrophobicContact CB-CG2 3.99Å; H40-I74 VanDerWaalsContact CD2-CG2 3.44Å; H40-I74 WeakPolarHBondContact CD2-CG2 3.35Å; A41-I74 CarbonylContact O-C 3.54Å; A41-I74 VanDerWaalsContact O-CA 3.32Å; A41-I74 WeakPolarHBondContact O-CA 3.39Å; L42-I74 HydrophobicContact CD1-CG1 4Å; I74-F102 HydrophobicContact CD1-CD2 3.79Å; I74-F102 HydrophobicContact CD1-CE2 3.71Å; I74-F102 HydrophobicContact CG1-CD2 4.22Å; I74-F102 HydrophobicContact CG1-CE2 3.63Å; I74-F102 HydrophobicContact CG1-CZ 4.08Å
75Y96.4Very high96.2Very high7 Ų755.2 Ų55.23%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-124.3142177.1-70.9-85000111.4V13 Y18 H40 A41 V43 F71 K73 H79 L80V13-Y75 HydrophobicContact CG1-CD1 4.19Å; V13-Y75 HydrophobicContact CG1-CE1 3.45Å; V13-Y75 VanDerWaalsContact CG1-CE1 3.45Å; V13-Y75 HydrophobicContact CG2-CE1 4.32Å; V13-Y75 HydrophobicContact CG2-CE2 3.97Å; Y18-Y75 WeakPolarHBondContact CB-OH 3.25Å; Y18-Y75 VanDerWaalsContact CD2-OH 3.28Å; Y18-Y75 WeakPolarHBondContact CD2-OH 3.4Å; H40-Y75 CarbonylContact C-O 3.59Å; H40-Y75 WeakPolarHBondContact CA-O 3.44Å; H40-Y75 WeakPolarHBondContact CB-O 3.44Å; A41-Y75 PolarHBondContact N-O 3.39Å; A41-Y75 PolarHBondContact O-N 2.67Å; V43-Y75 HydrophobicContact CB-CD2 3.85Å; V43-Y75 HydrophobicContact CB-CE2 4.18Å; V43-Y75 HydrophobicContact CG2-CD2 3.9Å; F71-Y75 AromaticContact CE2-CE2 3.98Å; F71-Y75 HydrophobicContact CE2-CE2 3.98Å; K73-Y75 HydrophobicContact CB-CD2 4.36Å; K73-Y75 HydrophobicContact CB-CE2 3.71Å; K73-Y75 HydrophobicContact CD-CE1 4.13Å; K73-Y75 HydrophobicContact CD-CE2 4.22Å; K73-Y75 HydrophobicContact CG-CD2 4.4Å; K73-Y75 HydrophobicContact CG-CE2 3.94Å; Y75-H79 HydrophobicContact CD1-CB 4.4Å; Y75-L80 HydrophobicContact CD2-CD2 4.17Å; Y75-L80 HydrophobicContact CG-CD2 3.95Å; Y75-L80 HydrophobicContact CG-CG 4.47Å
76N95.9Very high96.1Very high36 Ų3658 Ų5819%0.19327%0.274CS..EExtended strand (participates in β ladder)trans-61.3142.9160-173.6-27.1000109Y38 A39 S78 H79Y38-N76 HydrophobicContact CD2-CB 3.81Å; Y38-N76 HydrophobicContact CE2-CB 3.69Å; A39-N76 PolarHBondContact O-OD1 3.2Å; N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 PolarHBondContact OD1-N 3.11Å; N76-S78 PolarHBondContact OD1-OG 3Å; N76-H79 PolarHBondContact O-N 3.23Å
77Y95.5Very high96Very high41 Ų4157.6 Ų57.616%0.16127%0.271CS..G310 helixtrans-56.5-34.9174.7-73.60.7000113.3M5 T28 D30 A39 H40 A41 H79 L80M5-Y77 HydrophobicContact CB-CE1 4.41Å; M5-Y77 HydrophobicContact CB-CE2 3.98Å; M5-Y77 HydrophobicContact CE-CD1 3.61Å; M5-Y77 HydrophobicContact CE-CE1 3.87Å; M5-Y77 HydrophobicContact CE-CG 4.03Å; M5-Y77 HydrophobicContact CG-CD2 4.15Å; M5-Y77 HydrophobicContact CG-CE1 4.45Å; M5-Y77 HydrophobicContact CG-CE2 4.04Å; M5-Y77 HydrophobicContact CG-CG 4.42Å; T28-Y77 VanDerWaalsContact CB-OH 3.23Å; T28-Y77 WeakPolarHBondContact CB-OH 3.37Å; T28-Y77 WeakPolarHBondContact CG2-OH 3.48Å; D30-Y77 VanDerWaalsContact OD1-CE2 3.3Å; D30-Y77 WeakPolarHBondContact OD1-CE2 3.46Å; D30-Y77 PolarHBondContact OD1-OH 2.95Å; A39-Y77 HydrophobicContact CB-CD2 3.66Å; A39-Y77 HydrophobicContact CB-CE2 3.88Å; A39-Y77 HydrophobicContact CB-CG 4.19Å; A39-Y77 PolarHBondContact O-N 2.85Å; H40-Y77 WeakPolarHBondContact O-CE1 3.32Å; A41-Y77 HydrophobicContact CB-CD1 4.34Å; A41-Y77 HydrophobicContact CB-CE1 3.66Å; Y77-H79 PolarHBondContact O-N 3.27Å; Y77-H79 VanDerWaalsContact O-N 3.08Å; Y77-L80 HydrophobicContact CD1-CD1 4.5Å; Y77-L80 PolarHBondContact O-N 3.43Å
78S95.8Very high95.1Very high94 Ų9460 Ų6066%0.65730%0.295SS*.G310 helixtrans-61.6-20.1176.3-50.50000113.3N76N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 PolarHBondContact OD1-N 3.11Å; N76-S78 PolarHBondContact OD1-OG 3Å
79H97.3Very high94.2Very high84 Ų8464.7 Ų64.739%0.38932%0.32SS..G310 helixtrans-96.88.9178.2-55.9156.9000113.1L14 A15 Y75 N76 Y77L14-H79 PolarHBondContact N-O 2.95Å; A15-H79 HydrophobicContact CB-CB 4.24Å; Y75-H79 HydrophobicContact CD1-CB 4.4Å; N76-H79 PolarHBondContact O-N 3.23Å; Y77-H79 PolarHBondContact O-N 3.27Å; Y77-H79 VanDerWaalsContact O-N 3.08Å
80L97.3Very high93.3Very high9 Ų960.1 Ų60.15%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-122.6128.9-179.5-63.5177.9000110M5 V11 L12 V13 A41 V43 Y75 Y77 P82M5-L80 HydrophobicContact CE-CB 3.91Å; M5-L80 HydrophobicContact CE-CD1 3.55Å; M5-L80 HydrophobicContact CE-CG 4.39Å; V11-L80 HydrophobicContact CB-CB 4.4Å; V11-L80 HydrophobicContact CB-CD2 4.38Å; V11-L80 HydrophobicContact CG2-CD1 4.4Å; V11-L80 HydrophobicContact CG2-CD2 3.95Å; L12-L80 CarbonylContact O-C 3.59Å; L12-L80 WeakPolarHBondContact O-CA 3.34Å; V13-L80 HydrophobicContact CG2-CD2 4.08Å; A41-L80 HydrophobicContact CB-CD1 4.21Å; V43-L80 HydrophobicContact CG2-CD1 3.92Å; V43-L80 HydrophobicContact CG2-CD2 4.32Å; Y75-L80 HydrophobicContact CD2-CD2 4.17Å; Y75-L80 HydrophobicContact CG-CD2 3.95Å; Y75-L80 HydrophobicContact CG-CG 4.47Å; Y77-L80 HydrophobicContact CD1-CD1 4.5Å; Y77-L80 PolarHBondContact O-N 3.43Å; L80-P82 WeakPolarHBondContact O-CD 3.39Å
81L97.1Very high92.7Very high85 Ų8565 Ų6545%0.44533%0.334SS..EExtended strand (participates in β ladder)trans-92.8114.2167.4-179.872.6000108.8V11 L12 L14V11-L81 CarbonylContact C-O 3.58Å; V11-L81 WeakPolarHBondContact CA-O 3.21Å; L12-L81 HydrophobicContact CB-CB 4.12Å; L12-L81 HydrophobicContact CB-CD2 4.45Å; L12-L81 HydrophobicContact CD1-CD2 4.11Å; L12-L81 PolarHBondContact N-O 3.09Å; L12-L81 PolarHBondContact O-N 3.16Å; L14-L81 HydrophobicContact CD1-CB 4.11Å; L14-L81 HydrophobicContact CD2-CB 3.86Å; L14-L81 HydrophobicContact CG-CB 4.05Å
82P96.7Very high92.3Very high56 Ų5667.3 Ų67.336%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-67.5140.2174.727.9-33.2000110.6I4 M5 L80I4-P82 HydrophobicContact CG2-CB 3.64Å; I4-P82 HydrophobicContact CG2-CG 4.05Å; M5-P82 HydrophobicContact SD-CB 4.16Å; L80-P82 WeakPolarHBondContact O-CD 3.39Å
83T96.7Very high91.9Very high19 Ų1970.4 Ų70.412%0.11736%0.359CS..EExtended strand (participates in β ladder)trans-116.1162.4176.777.70000110.7M9 V10 L12 Y85 W130M9-T83 VanDerWaalsContact CE-O 3.31Å; M9-T83 WeakPolarHBondContact CE-O 3.48Å; V10-T83 WeakPolarHBondContact O-CB 3.24Å; V10-T83 PolarHBondContact O-N 2.93Å; V10-T83 VanDerWaalsContact O-N 3.14Å; V10-T83 PolarHBondContact O-OG1 3.37Å; L12-T83 HydrophobicContact CD1-CG2 4.18Å; L12-T83 HydrophobicContact CG-CG2 4.18Å; T83-Y85 PolarHBondContact O-N 3.42Å; T83-Y85 PolarHBondContact OG1-N 3.43Å; T83-W130 HydrophobicContact CG2-CH2 4.04Å
84R95.4Very high91.5Very high229 Ų22974.1 Ų74.186%0.86438%0.375SS*.EExtended strand (participates in β ladder)trans-62.1-28.1173.7-174.7-176.7-68.9171.20.5112.4
85Y95.9Very high91.2Very high109 Ų10981.4 Ų81.443%0.42741%0.406SS..EExtended strand (participates in β ladder)trans-71.4134.9-171-60.5-77.1000111.5V10 T83 W130V10-Y85 WeakPolarHBondContact CB-O 3.32Å; V10-Y85 PolarHBondContact N-O 3.41Å; T83-Y85 PolarHBondContact O-N 3.42Å; T83-Y85 PolarHBondContact OG1-N 3.43Å; Y85-W130 AromaticContact CD2-CD2 3.63Å; Y85-W130 HydrophobicContact CD2-CD2 3.63Å; Y85-W130 AromaticContact CD2-CE2 3.98Å; Y85-W130 AromaticContact CD2-CE3 3.33Å; Y85-W130 HydrophobicContact CD2-CE3 3.33Å; Y85-W130 HydrophobicContact CD2-CG 4.38Å; Y85-W130 AromaticContact CD2-CH2 3.84Å; Y85-W130 HydrophobicContact CD2-CH2 3.84Å; Y85-W130 HydrophobicContact CD2-CZ2 4.1Å; Y85-W130 AromaticContact CD2-CZ3 3.44Å; Y85-W130 HydrophobicContact CD2-CZ3 3.44Å; Y85-W130 VanDerWaalsContact CD2-CZ3 3.44Å; Y85-W130 HydrophobicContact CE1-CB 4.28Å; Y85-W130 HydrophobicContact CE1-CD2 4.46Å; Y85-W130 HydrophobicContact CE1-CG 4.25Å; Y85-W130 AromaticContact CE2-CD2 3.34Å; Y85-W130 HydrophobicContact CE2-CD2 3.34Å; Y85-W130 AromaticContact CE2-CE2 3.4Å; Y85-W130 AromaticContact CE2-CE3 3.6Å; Y85-W130 HydrophobicContact CE2-CE3 3.6Å; Y85-W130 AromaticContact CE2-CG 3.83Å; Y85-W130 HydrophobicContact CE2-CG 3.83Å; Y85-W130 AromaticContact CE2-CH2 3.98Å; Y85-W130 HydrophobicContact CE2-CH2 3.98Å; Y85-W130 AromaticContact CE2-CZ2 3.74Å; Y85-W130 HydrophobicContact CE2-CZ2 3.74Å; Y85-W130 AromaticContact CE2-CZ3 3.91Å; Y85-W130 HydrophobicContact CE2-CZ3 3.91Å; Y85-W130 AromaticContact CE2-NE1 3.85Å; Y85-W130 HydrophobicContact CG-CD2 4.3Å; Y85-W130 AromaticContact CG-CE3 3.86Å; Y85-W130 HydrophobicContact CG-CE3 3.86Å; Y85-W130 HydrophobicContact CG-CZ3 4.22Å; Y85-W130 AromaticContact CZ-CD1 3.92Å; Y85-W130 AromaticContact CZ-CD2 3.81Å; Y85-W130 AromaticContact CZ-CG 3.75Å
86K93.6Very high90.9Very high138 Ų13882.7 Ų82.760%0.641%0.413SS*.EExtended strand (participates in β ladder)trans-124.5155.9175.6-50-168.2-173.5175.30110.1G8 M9G8-K86 CarbonylContact O-C 3.47Å; G8-K86 WeakPolarHBondContact O-CA 3.46Å; M9-K86 HydrophobicContact SD-CD 3.56Å; M9-K86 VanDerWaalsContact SD-CD 3.56Å; M9-K86 WeakPolarHBondContact SD-CE 3.48Å; M9-K86 HydrophobicContact SD-CG 3.53Å; M9-K86 VanDerWaalsContact SD-CG 3.53Å
87V91.5Very high90.7Very high8 Ų881.2 Ų81.25%0.04841%0.405CS..  trans-120.994.1174178.70000107.4G8 V10 L24 F90G8-V87 PolarHBondContact O-N 3.01Å; V10-V87 HydrophobicContact CG2-CG2 3.81Å; L24-V87 HydrophobicContact CD1-CB 3.68Å; L24-V87 HydrophobicContact CD1-CG2 3.55Å; L24-V87 HydrophobicContact CD2-CB 4.37Å; V87-F90 HydrophobicContact CG1-CB 4.12Å; V87-F90 HydrophobicContact CG1-CD2 4.47Å
88A76.5Confident90.5Very high95 Ų9580.6 Ų80.679%0.78541%0.405SS*.SBendtrans-64.8-46.3-174.900000112.6F90A88-F90 PolarHBondContact O-N 3.04Å
89D79.2Confident90.2Very high101 Ų10179.9 Ų79.954%0.5439%0.39SS..  trans-95.555.1-172.8-40.3-37.5000112.4T91 R122D89-T91 PolarHBondContact O-N 3.08Å; D89-R122 PolarHBondContact O-NH2 3.43Å
90F78Confident89.8Confident27 Ų2779.5 Ų79.512%0.11839%0.388CS..  trans-89.288.6179.7-171.9-103.2000110.5L24 V26 V87 A88 Y92 M118 F119L24-F90 HydrophobicContact CD2-CB 4.18Å; L24-F90 HydrophobicContact CD2-CD1 3.9Å; L24-F90 HydrophobicContact CD2-CD2 2.97Å; L24-F90 HydrophobicContact CD2-CE1 4.03Å; L24-F90 HydrophobicContact CD2-CE2 3.14Å; L24-F90 HydrophobicContact CD2-CG 3.42Å; L24-F90 VanDerWaalsContact CD2-CG 3.42Å; L24-F90 HydrophobicContact CD2-CZ 3.72Å; L24-F90 HydrophobicContact CG-CD2 4.47Å; V26-F90 HydrophobicContact CB-CE1 4.49Å; V26-F90 HydrophobicContact CG1-CE1 4.25Å; V26-F90 HydrophobicContact CG2-CE1 4.04Å; V26-F90 HydrophobicContact CG2-CZ 4.11Å; V87-F90 HydrophobicContact CG1-CB 4.12Å; V87-F90 HydrophobicContact CG1-CD2 4.47Å; A88-F90 PolarHBondContact O-N 3.04Å; F90-Y92 AromaticContact CD1-CD1 3.18Å; F90-Y92 HydrophobicContact CD1-CD1 3.18Å; F90-Y92 AromaticContact CD1-CE1 3.43Å; F90-Y92 HydrophobicContact CD1-CE1 3.43Å; F90-Y92 VanDerWaalsContact CD1-CE1 3.43Å; F90-Y92 HydrophobicContact CD1-CG 4.21Å; F90-Y92 AromaticContact CE1-CD1 3.03Å; F90-Y92 HydrophobicContact CE1-CD1 3.03Å; F90-Y92 AromaticContact CE1-CE1 3.4Å; F90-Y92 HydrophobicContact CE1-CE1 3.4Å; F90-Y92 AromaticContact CE1-CG 3.66Å; F90-Y92 HydrophobicContact CE1-CG 3.66Å; F90-Y92 HydrophobicContact CG-CD1 4.31Å; F90-Y92 HydrophobicContact CZ-CD1 4.07Å; F90-Y92 HydrophobicContact CZ-CG 4.36Å; F90-M118 HydrophobicContact CB-CE 4.17Å; F90-M118 HydrophobicContact CD1-CE 4.24Å; F90-M118 HydrophobicContact CD2-CE 2.92Å; F90-M118 HydrophobicContact CD2-SD 3.62Å; F90-M118 HydrophobicContact CE1-CE 4.39Å; F90-M118 HydrophobicContact CE1-SD 4.36Å; F90-M118 HydrophobicContact CE2-CE 3.14Å; F90-M118 HydrophobicContact CE2-CG 4.49Å; F90-M118 HydrophobicContact CE2-SD 3.05Å; F90-M118 WeakPolarHBondContact CE2-SD 3.49Å; F90-M118 HydrophobicContact CG-CE 3.53Å; F90-M118 HydrophobicContact CG-SD 4.44Å; F90-M118 HydrophobicContact CZ-CE 3.88Å; F90-M118 HydrophobicContact CZ-SD 3.48Å; F90-M118 WeakPolarHBondContact CZ-SD 3.36Å; F90-F119 HydrophobicContact CE2-CE1 4.24Å
91T84.2Confident89.5Confident120 Ų12079.1 Ų79.174%0.73639%0.386SS*.  trans-92.4127.817453.40000111.4D89 M118D89-T91 PolarHBondContact O-N 3.08Å; T91-M118 WeakPolarHBondContact O-CE 2.98Å
92Y87.2Confident89.1Confident52 Ų5278 Ų7820%0.20438%0.378CS..  trans-152.7155.2179.566.9-82000110.2V26 F90 K94 I97V26-Y92 HydrophobicContact CG1-CD2 4.06Å; V26-Y92 HydrophobicContact CG1-CE1 3.96Å; V26-Y92 HydrophobicContact CG1-CE2 3.38Å; V26-Y92 WeakPolarHBondContact CG1-OH 3.3Å; V26-Y92 PolarHBondContact O-OH 3.01Å; F90-Y92 AromaticContact CD1-CD1 3.18Å; F90-Y92 HydrophobicContact CD1-CD1 3.18Å; F90-Y92 AromaticContact CD1-CE1 3.43Å; F90-Y92 HydrophobicContact CD1-CE1 3.43Å; F90-Y92 VanDerWaalsContact CD1-CE1 3.43Å; F90-Y92 HydrophobicContact CD1-CG 4.21Å; F90-Y92 AromaticContact CE1-CD1 3.03Å; F90-Y92 HydrophobicContact CE1-CD1 3.03Å; F90-Y92 AromaticContact CE1-CE1 3.4Å; F90-Y92 HydrophobicContact CE1-CE1 3.4Å; F90-Y92 AromaticContact CE1-CG 3.66Å; F90-Y92 HydrophobicContact CE1-CG 3.66Å; F90-Y92 HydrophobicContact CG-CD1 4.31Å; F90-Y92 HydrophobicContact CZ-CD1 4.07Å; F90-Y92 HydrophobicContact CZ-CG 4.36Å; Y92-K94 HydrophobicContact CD2-CG 4.39Å; Y92-K94 HydrophobicContact CE2-CB 4.4Å; Y92-K94 HydrophobicContact CE2-CG 3.81Å; Y92-K94 PolarHBondContact O-N 3.32Å; Y92-I97 HydrophobicContact CD2-CB 4.02Å; Y92-I97 HydrophobicContact CD2-CD1 4.2Å; Y92-I97 HydrophobicContact CE2-CB 4.43Å; Y92-I97 HydrophobicContact CG-CD1 4.49Å
93D88.5Confident88.8Confident69 Ų6983.6 Ų83.637%0.36939%0.392SS..  trans-76.5107.8174-170.8-8.7000110.5K95 I96 I97D93-K95 PolarHBondContact O-N 2.91Å; D93-K95 VanDerWaalsContact OD1-CB 3.3Å; D93-K95 WeakPolarHBondContact OD1-CB 3.39Å; D93-K95 PolarHBondContact OD1-N 3.25Å; D93-I96 HydrophobicContact CB-CB 4.27Å; D93-I96 HydrophobicContact CB-CD1 4.01Å; D93-I96 HydrophobicContact CB-CG1 4.13Å; D93-I96 PolarHBondContact O-N 2.74Å; D93-I96 VanDerWaalsContact O-N 3.15Å; D93-I96 WeakPolarHBondContact OD2-CD1 3.48Å; D93-I96 WeakPolarHBondContact OD2-CG1 3.49Å; D93-I97 PolarHBondContact O-N 3.36Å
94K87.9Confident88.7Confident155 Ų15585.7 Ų85.767%0.67440%0.402SS*.THydrogen-bonded Turntrans-61.9-23.1177.9-63.6178.8-176.8175.30112.7Y92Y92-K94 HydrophobicContact CD2-CG 4.39Å; Y92-K94 HydrophobicContact CE2-CB 4.4Å; Y92-K94 HydrophobicContact CE2-CG 3.81Å; Y92-K94 PolarHBondContact O-N 3.32Å
95K89.4Confident88.6Confident176 Ų17679.4 Ų79.477%0.76539%0.391SS*.THydrogen-bonded Turntrans-73.6-36.1176.6-62.5-179.3177.9-179.80111.3D93 N98D93-K95 PolarHBondContact O-N 2.91Å; D93-K95 VanDerWaalsContact OD1-CB 3.3Å; D93-K95 WeakPolarHBondContact OD1-CB 3.39Å; D93-K95 PolarHBondContact OD1-N 3.25Å; K95-N98 PolarHBondContact O-ND2 3.35Å
96I90.5Very high88.6Confident34 Ų3477.2 Ų77.217%0.17440%0.396CS..THydrogen-bonded Turntrans-82.9-45.9-179.2-61.2175000110.7D93 N98 K110 A111 E114D93-I96 HydrophobicContact CB-CB 4.27Å; D93-I96 HydrophobicContact CB-CD1 4.01Å; D93-I96 HydrophobicContact CB-CG1 4.13Å; D93-I96 PolarHBondContact O-N 2.74Å; D93-I96 VanDerWaalsContact O-N 3.15Å; D93-I96 WeakPolarHBondContact OD2-CD1 3.48Å; D93-I96 WeakPolarHBondContact OD2-CG1 3.49Å; I96-N98 PolarHBondContact O-N 2.91Å; I96-K110 HydrophobicContact CG2-CG 4.27Å; I96-A111 HydrophobicContact CG2-CB 4.16Å; I96-E114 HydrophobicContact CG2-CB 4.34Å
97I91.2Very high88.6Confident5 Ų577 Ų773%0.02639%0.391CS..SBendtrans-99.786.5-176.4-56.8166.4000109.1V26 L42 L72 Y92 D93 A111 E114 V115V26-I97 HydrophobicContact CG1-CG2 3.85Å; V26-I97 HydrophobicContact CG2-CG2 4.49Å; L42-I97 HydrophobicContact CD2-CG2 4.05Å; L72-I97 HydrophobicContact CD1-CG2 3.85Å; L72-I97 HydrophobicContact CD2-CG2 4.02Å; Y92-I97 HydrophobicContact CD2-CB 4.02Å; Y92-I97 HydrophobicContact CD2-CD1 4.2Å; Y92-I97 HydrophobicContact CE2-CB 4.43Å; Y92-I97 HydrophobicContact CG-CD1 4.49Å; D93-I97 PolarHBondContact O-N 3.36Å; I97-A111 HydrophobicContact CG1-CB 4.33Å; I97-E114 HydrophobicContact CD1-CB 4.31Å; I97-E114 HydrophobicContact CD1-CG 4.04Å; I97-V115 HydrophobicContact CD1-CG2 3.62Å; I97-V115 HydrophobicContact CG1-CG2 4.28Å
98N91.2Very high88.7Confident28 Ų2880.9 Ų80.915%0.1541%0.407CS..SBendtrans-137.6-179.2179.567.115.5000111.5K95 I96 E100 C101K95-N98 PolarHBondContact O-ND2 3.35Å; I96-N98 PolarHBondContact O-N 2.91Å; N98-E100 VanDerWaalsContact C-N 3.27Å; N98-E100 PolarHBondContact O-N 3.47Å; N98-E100 WeakPolarHBondContact OD1-CA 3.39Å; N98-E100 WeakPolarHBondContact OD1-CB 3.44Å; N98-E100 PolarHBondContact OD1-N 3.15Å; N98-C101 PolarHBondContact O-SG 3.28Å; N98-C101 PolarHBondContact OD1-N 3.19Å
99K89.7Confident89.6Confident78 Ų7881.5 Ų81.534%0.33940%0.396SS..G310 helixtrans-68.4-24.6176.560.9177.2-179174.40113.5F29 C101 F102F29-K99 HydrophobicContact CE1-CD 4.45Å; F29-K99 HydrophobicContact CZ-CB 4.4Å; F29-K99 HydrophobicContact CZ-CD 4.37Å; K99-C101 VanDerWaalsContact C-N 3.28Å; K99-C101 PolarHBondContact O-N 2.96Å; K99-F102 WeakPolarHBondContact O-CD2 3.43Å
100E89.2Confident90.4Very high77 Ų7782.9 Ų82.936%0.3640%0.397SS..G310 helixtrans-75.9-19-177.7-61.2172.8-171.300112.6N98 F102 R103N98-E100 VanDerWaalsContact C-N 3.27Å; N98-E100 PolarHBondContact O-N 3.47Å; N98-E100 WeakPolarHBondContact OD1-CA 3.39Å; N98-E100 WeakPolarHBondContact OD1-CB 3.44Å; N98-E100 PolarHBondContact OD1-N 3.15Å; E100-F102 PolarHBondContact O-N 3.45Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 3.1Å
101C89.3Confident91.2Very high1 Ų181.6 Ų81.61%0.00739%0.392CS..G310 helixtrans-59.9-16.7176.578.30000113.2L72 N98 K99 R107 K108 A111L72-C101 WeakPolarHBondContact CD2-SG 3.44Å; N98-C101 PolarHBondContact O-SG 3.28Å; N98-C101 PolarHBondContact OD1-N 3.19Å; K99-C101 VanDerWaalsContact C-N 3.28Å; K99-C101 PolarHBondContact O-N 2.96Å; C101-R107 HydrophobicContact CB-CB 4.43Å; C101-K108 WeakPolarHBondContact O-CA 3.17Å; C101-K108 WeakPolarHBondContact O-CB 3.12Å; C101-K108 PolarHBondContact O-N 2.73Å; C101-A111 HydrophobicContact CB-CB 4.16Å
102F90.1Very high91.7Very high62 Ų6277.6 Ų77.627%0.27237%0.366SS..G310 helixtrans-84.3-12.7176.9-62.7-76.2000114.2L42 L72 I74 K99 E100 K108L42-F102 HydrophobicContact CD1-CE2 3.52Å; L42-F102 HydrophobicContact CD1-CZ 3.67Å; L72-F102 HydrophobicContact CD2-CZ 4.22Å; L72-F102 HydrophobicContact CG-CZ 3.97Å; L72-F102 WeakPolarHBondContact O-CE1 3.32Å; I74-F102 HydrophobicContact CD1-CD2 3.79Å; I74-F102 HydrophobicContact CD1-CE2 3.71Å; I74-F102 HydrophobicContact CG1-CD2 4.22Å; I74-F102 HydrophobicContact CG1-CE2 3.63Å; I74-F102 HydrophobicContact CG1-CZ 4.08Å; K99-F102 WeakPolarHBondContact O-CD2 3.43Å; E100-F102 PolarHBondContact O-N 3.45Å; F102-K108 HydrophobicContact CD1-CD 4.4Å
103R90.3Very high92.1Very high173 Ų17383 Ų8365%0.65339%0.386SS*.THydrogen-bonded Turntrans-75.2-29.4179.9-64.4-176.4179.4177.7-2.1112.8E35 E100E35-R103 IonicContact OE1-NH2 2.78Å; E35-R103 PolarHBondContact OE1-NH2 2.78Å; E100-R103 WeakPolarHBondContact O-CB 3.37Å; E100-R103 PolarHBondContact O-N 3.1Å
104D93.3Very high92.4Very high63 Ų6382.6 Ų82.634%0.33738%0.382SS..  trans-128.5125-177.4174.91.4000110.3A106 R107 K108D104-A106 PolarHBondContact O-N 2.77Å; D104-A106 WeakPolarHBondContact OD1-CB 3.44Å; D104-A106 PolarHBondContact OD1-N 2.95Å; D104-R107 HydrophobicContact CB-CB 4.29Å; D104-R107 HydrophobicContact CB-CG 4.03Å; D104-R107 PolarHBondContact O-N 3.28Å; D104-K108 PolarHBondContact O-N 2.99Å; D104-K108 VanDerWaalsContact O-N 3.1Å
105P94.2Very high92.8Very high97 Ų9775.2 Ų75.263%0.6335%0.35SS*.Hα-helixtrans-51.8-38.3174.6-26.534.7000114.3K108 I109P105-K108 WeakPolarHBondContact O-CB 3.48Å; P105-K108 PolarHBondContact O-N 2.98Å; P105-I109 WeakPolarHBondContact O-CG1 3.39Å; P105-I109 PolarHBondContact O-N 3.48Å
106A95Very high93.1Very high63 Ų6370.8 Ų70.852%0.52133%0.33SS..Hα-helixtrans-65.3-43.6-178.800000111.4D104 K108 I109 K110D104-A106 PolarHBondContact O-N 2.77Å; D104-A106 WeakPolarHBondContact OD1-CB 3.44Å; D104-A106 PolarHBondContact OD1-N 2.95Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 3.35Å; A106-I109 PolarHBondContact O-N 3.45Å; A106-K110 PolarHBondContact O-N 3.17Å
107R94.4Very high93.2Very high134 Ų13474.3 Ų74.351%0.50635%0.346SS..Hα-helixtrans-62.8-40.6174.8-64.8-175.8-172.1-163.7-0.2111.5C101 D104 I109 K110 A111C101-R107 HydrophobicContact CB-CB 4.43Å; D104-R107 HydrophobicContact CB-CB 4.29Å; D104-R107 HydrophobicContact CB-CG 4.03Å; D104-R107 PolarHBondContact O-N 3.28Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.97Å; R107-K110 PolarHBondContact O-N 3.41Å; R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.27Å
108K94.4Very high93.3Very high89 Ų8975.1 Ų75.139%0.38735%0.35SS..Hα-helixtrans-61.9-40.1175.8-168.9175179179.50112.4C101 F102 D104 P105 A106 N112C101-K108 WeakPolarHBondContact O-CA 3.17Å; C101-K108 WeakPolarHBondContact O-CB 3.12Å; C101-K108 PolarHBondContact O-N 2.73Å; F102-K108 HydrophobicContact CD1-CD 4.4Å; D104-K108 PolarHBondContact O-N 2.99Å; D104-K108 VanDerWaalsContact O-N 3.1Å; P105-K108 WeakPolarHBondContact O-CB 3.48Å; P105-K108 PolarHBondContact O-N 2.98Å; A106-K108 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 3.35Å; K108-N112 WeakPolarHBondContact O-CB 3.48Å; K108-N112 PolarHBondContact O-N 2.87Å; K108-N112 PolarHBondContact O-ND2 3.26Å
109I95.1Very high93.5Very high107 Ų10774 Ų7455%0.54934%0.344SS..Hα-helixtrans-65.1-45.1176.5-68.4164.7000110.1P105 A106 R107 N112 R113P105-I109 WeakPolarHBondContact O-CG1 3.39Å; P105-I109 PolarHBondContact O-N 3.48Å; A106-I109 PolarHBondContact O-N 3.45Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.97Å; I109-N112 PolarHBondContact O-N 3.02Å; I109-R113 PolarHBondContact O-N 2.93Å
110K95.2Very high93.7Very high131 Ų13172.2 Ų72.257%0.5734%0.337SS*.Hα-helixtrans-59.4-47176-171.1176.7-179.9178.60111.6I96 A106 R107 N112 R113 E114I96-K110 HydrophobicContact CG2-CG 4.27Å; A106-K110 PolarHBondContact O-N 3.17Å; R107-K110 PolarHBondContact O-N 3.41Å; K110-N112 PolarHBondContact O-N 3.03Å; K110-R113 WeakPolarHBondContact O-CB 3.05Å; K110-R113 PolarHBondContact O-N 2.87Å; K110-E114 PolarHBondContact O-N 3.05Å
111A95.5Very high93.9Very high0 Ų076.5 Ų76.50%035%0.354CS..Hα-helixtrans-62.4-42.7177.700000112.8L72 I96 I97 C101 R107 R113 E114 V115L72-A111 HydrophobicContact CD2-CB 3.95Å; I96-A111 HydrophobicContact CG2-CB 4.16Å; I97-A111 HydrophobicContact CG1-CB 4.33Å; C101-A111 HydrophobicContact CB-CB 4.16Å; R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.27Å; A111-R113 VanDerWaalsContact C-N 3.3Å; A111-R113 PolarHBondContact O-N 3.5Å; A111-E114 WeakPolarHBondContact O-CB 3.45Å; A111-E114 PolarHBondContact O-N 3.47Å; A111-V115 WeakPolarHBondContact O-CG2 3.42Å; A111-V115 PolarHBondContact O-N 2.9Å
112N95.2Very high94Very high36 Ų3678 Ų7819%0.19336%0.36CS..Hα-helixtrans-64.6-34.3175-79.1-54.5000112.6P70 L72 K108 I109 K110 K116P70-N112 VanDerWaalsContact CG-O 3.25Å; P70-N112 WeakPolarHBondContact CG-O 3.48Å; L72-N112 PolarHBondContact N-OD1 2.86Å; L72-N112 VanDerWaalsContact N-OD1 3.11Å; K108-N112 WeakPolarHBondContact O-CB 3.48Å; K108-N112 PolarHBondContact O-N 2.87Å; K108-N112 PolarHBondContact O-ND2 3.26Å; I109-N112 PolarHBondContact O-N 3.02Å; K110-N112 PolarHBondContact O-N 3.03Å; N112-K116 WeakPolarHBondContact O-CB 3.4Å; N112-K116 PolarHBondContact O-N 2.84Å
113R95.3Very high94.2Very high166 Ų16677.4 Ų77.463%0.62636%0.357SS*.Hα-helixtrans-64.8-41.6175.1-172-178.5-72.7177.5-2.7111I109 K110 A111 K116 Q117I109-R113 PolarHBondContact O-N 2.93Å; K110-R113 WeakPolarHBondContact O-CB 3.05Å; K110-R113 PolarHBondContact O-N 2.87Å; A111-R113 VanDerWaalsContact C-N 3.3Å; A111-R113 PolarHBondContact O-N 3.5Å; R113-K116 WeakPolarHBondContact O-CB 3.41Å; R113-K116 PolarHBondContact O-N 3.34Å; R113-Q117 WeakPolarHBondContact O-CG 3.3Å; R113-Q117 PolarHBondContact O-N 3.1Å; R113-Q117 VanDerWaalsContact O-N 3.09Å
114E94.4Very high94.3Very high59 Ų5977 Ų7728%0.27636%0.36SS..Hα-helixtrans-62.2-50.2175.8-170.460.4-158.500111.6I96 I97 K110 A111 K116 Q117 M118I96-E114 HydrophobicContact CG2-CB 4.34Å; I97-E114 HydrophobicContact CD1-CB 4.31Å; I97-E114 HydrophobicContact CD1-CG 4.04Å; K110-E114 PolarHBondContact O-N 3.05Å; A111-E114 WeakPolarHBondContact O-CB 3.45Å; A111-E114 PolarHBondContact O-N 3.47Å; E114-K116 PolarHBondContact O-N 3.48Å; E114-Q117 PolarHBondContact O-N 3.22Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; E114-M118 PolarHBondContact O-N 2.83Å
115V95.5Very high94.3Very high1 Ų177.1 Ų77.11%0.00637%0.37CS..Hα-helixtrans-57.4-38.5175.6175.80000111.2A44 P70 L72 I97 A111 M118 F119A44-V115 HydrophobicContact CB-CG1 3.88Å; A44-V115 HydrophobicContact CB-CG2 4.14Å; P70-V115 HydrophobicContact CB-CB 4.18Å; P70-V115 HydrophobicContact CB-CG1 3.57Å; P70-V115 HydrophobicContact CG-CB 4.42Å; P70-V115 HydrophobicContact CG-CG1 4.3Å; L72-V115 HydrophobicContact CD1-CG2 4.5Å; I97-V115 HydrophobicContact CD1-CG2 3.62Å; I97-V115 HydrophobicContact CG1-CG2 4.28Å; A111-V115 WeakPolarHBondContact O-CG2 3.42Å; A111-V115 PolarHBondContact O-N 2.9Å; V115-M118 PolarHBondContact O-N 2.56Å; V115-F119 HydrophobicContact CG1-CD2 3.83Å; V115-F119 HydrophobicContact CG1-CE1 4.32Å; V115-F119 HydrophobicContact CG1-CE2 3.54Å; V115-F119 HydrophobicContact CG1-CG 4.33Å; V115-F119 HydrophobicContact CG1-CZ 3.82Å; V115-F119 WeakPolarHBondContact O-CB 3.42Å; V115-F119 WeakPolarHBondContact O-CG 3.23Å; V115-F119 PolarHBondContact O-N 2.82Å
116K95.6Very high94.2Very high82 Ų8274.5 Ų74.536%0.35736%0.361SS..Hα-helixtrans-60.8-51.2177.7-175.3177.5177.7-177.70111.1I68 P70 N112 R113 E114 M118 F119 Q120I68-K116 WeakPolarHBondContact O-CE 3.47Å; P70-K116 HydrophobicContact CG-CB 3.72Å; P70-K116 HydrophobicContact CG-CG 4.47Å; N112-K116 WeakPolarHBondContact O-CB 3.4Å; N112-K116 PolarHBondContact O-N 2.84Å; R113-K116 WeakPolarHBondContact O-CB 3.41Å; R113-K116 PolarHBondContact O-N 3.34Å; E114-K116 PolarHBondContact O-N 3.48Å; K116-M118 VanDerWaalsContact C-N 3.27Å; K116-M118 PolarHBondContact O-N 3.17Å; K116-F119 PolarHBondContact O-N 3.3Å; K116-Q120 HydrophobicContact CG-CG 4.44Å; K116-Q120 WeakPolarHBondContact O-CB 3.47Å; K116-Q120 WeakPolarHBondContact O-CG 3.42Å; K116-Q120 PolarHBondContact O-N 2.87Å
117Q94.1Very high94.1Very high109 Ų10976.8 Ų76.851%0.50936%0.359SS..Hα-helixtrans-59.4-44.5-179.1-69.2179.716.900110.5R113 E114 Q120 K121R113-Q117 WeakPolarHBondContact O-CG 3.3Å; R113-Q117 PolarHBondContact O-N 3.1Å; R113-Q117 VanDerWaalsContact O-N 3.09Å; E114-Q117 PolarHBondContact O-N 3.22Å; E114-Q117 VanDerWaalsContact O-N 3.16Å; Q117-Q120 PolarHBondContact O-N 3.03Å; Q117-K121 WeakPolarHBondContact O-CB 3.36Å; Q117-K121 PolarHBondContact O-N 3.43Å
118M92.6Very high94Very high22 Ų2272.9 Ų72.911%0.10835%0.348CS..Hα-helixtrans-59.7-50.9178-172.6-176.1-171.100112.9F90 T91 E114 V115 K116 Q120 K121 R122F90-M118 HydrophobicContact CB-CE 4.17Å; F90-M118 HydrophobicContact CD1-CE 4.24Å; F90-M118 HydrophobicContact CD2-CE 2.92Å; F90-M118 HydrophobicContact CD2-SD 3.62Å; F90-M118 HydrophobicContact CE1-CE 4.39Å; F90-M118 HydrophobicContact CE1-SD 4.36Å; F90-M118 HydrophobicContact CE2-CE 3.14Å; F90-M118 HydrophobicContact CE2-CG 4.49Å; F90-M118 HydrophobicContact CE2-SD 3.05Å; F90-M118 WeakPolarHBondContact CE2-SD 3.49Å; F90-M118 HydrophobicContact CG-CE 3.53Å; F90-M118 HydrophobicContact CG-SD 4.44Å; F90-M118 HydrophobicContact CZ-CE 3.88Å; F90-M118 HydrophobicContact CZ-SD 3.48Å; F90-M118 WeakPolarHBondContact CZ-SD 3.36Å; T91-M118 WeakPolarHBondContact O-CE 2.98Å; E114-M118 PolarHBondContact O-N 2.83Å; V115-M118 PolarHBondContact O-N 2.56Å; K116-M118 VanDerWaalsContact C-N 3.27Å; K116-M118 PolarHBondContact O-N 3.17Å; M118-Q120 VanDerWaalsContact C-N 3.34Å; M118-Q120 PolarHBondContact O-N 3Å; M118-K121 PolarHBondContact O-N 2.89Å; M118-R122 PolarHBondContact O-N 3.25Å; M118-R122 VanDerWaalsContact O-N 3.15Å
119F95Very high94Very high4 Ų476.4 Ų76.42%0.01836%0.364CS..Hα-helixtrans-63.7-39.6178.7-76.1-5.9000112.1A44 I46 I68 P70 F90 V115 K116 R122 F123 F131 F132A44-F119 HydrophobicContact CB-CZ 4.02Å; I46-F119 HydrophobicContact CG1-CD2 3.88Å; I46-F119 HydrophobicContact CG1-CE2 3.91Å; I68-F119 HydrophobicContact CD1-CB 4.18Å; I68-F119 HydrophobicContact CG2-CB 4.42Å; I68-F119 HydrophobicContact CG2-CD2 4.45Å; P70-F119 HydrophobicContact CB-CD2 4.2Å; P70-F119 HydrophobicContact CB-CE2 4.36Å; F90-F119 HydrophobicContact CE2-CE1 4.24Å; V115-F119 HydrophobicContact CG1-CD2 3.83Å; V115-F119 HydrophobicContact CG1-CE1 4.32Å; V115-F119 HydrophobicContact CG1-CE2 3.54Å; V115-F119 HydrophobicContact CG1-CG 4.33Å; V115-F119 HydrophobicContact CG1-CZ 3.82Å; V115-F119 WeakPolarHBondContact O-CB 3.42Å; V115-F119 WeakPolarHBondContact O-CG 3.23Å; V115-F119 PolarHBondContact O-N 2.82Å; K116-F119 PolarHBondContact O-N 3.3Å; F119-R122 PolarHBondContact O-N 3.47Å; F119-F123 WeakPolarHBondContact O-CB 3.13Å; F119-F123 PolarHBondContact O-N 3.26Å; F119-F131 HydrophobicContact CD1-CE1 4.32Å; F119-F131 AromaticContact CE1-CE1 3.95Å; F119-F131 HydrophobicContact CE1-CE1 3.95Å; F119-F131 HydrophobicContact CE1-CZ 4.28Å; F119-F131 HydrophobicContact CE2-CE1 4.22Å; F119-F131 HydrophobicContact CE2-CZ 4.3Å; F119-F131 AromaticContact CZ-CE1 3.91Å; F119-F131 HydrophobicContact CZ-CE1 3.91Å; F119-F131 AromaticContact CZ-CZ 3.88Å; F119-F131 HydrophobicContact CZ-CZ 3.88Å; F119-F132 HydrophobicContact CB-CE1 4.04Å; F119-F132 HydrophobicContact CG-CE1 4.4Å; F119-F132 WeakPolarHBondContact O-CE1 3.46Å; F119-F132 WeakPolarHBondContact O-CZ 3.19Å
120Q93.6Very high94Very high40 Ų4075 Ų7519%0.18735%0.352CS..Hα-helixtrans-66.7-40.2177-73.9-172.3-47.700112.6S66 I68 K116 Q117 M118 R122 F123 K124S66-Q120 PolarHBondContact O-NE2 2.96Å; I68-Q120 HydrophobicContact CB-CG 4.2Å; I68-Q120 HydrophobicContact CD1-CG 4.23Å; I68-Q120 HydrophobicContact CG1-CG 4.18Å; K116-Q120 HydrophobicContact CG-CG 4.44Å; K116-Q120 WeakPolarHBondContact O-CB 3.47Å; K116-Q120 WeakPolarHBondContact O-CG 3.42Å; K116-Q120 PolarHBondContact O-N 2.87Å; Q117-Q120 PolarHBondContact O-N 3.03Å; M118-Q120 VanDerWaalsContact C-N 3.34Å; M118-Q120 PolarHBondContact O-N 3Å; Q120-R122 VanDerWaalsContact C-N 3.34Å; Q120-R122 PolarHBondContact O-N 3.02Å; Q120-F123 PolarHBondContact O-N 3.22Å; Q120-K124 WeakPolarHBondContact O-CB 3.46Å; Q120-K124 VanDerWaalsContact O-CG 3.28Å; Q120-K124 WeakPolarHBondContact O-CG 3.37Å; Q120-K124 PolarHBondContact O-N 2.88Å
121K92.9Very high94.1Very high168 Ų16869.2 Ų69.273%0.7333%0.326SS*.Hα-helixtrans-59.3-46.2175.6-172.1176.9-178.5178.30110.9Q117 M118 K124 A125Q117-K121 WeakPolarHBondContact O-CB 3.36Å; Q117-K121 PolarHBondContact O-N 3.43Å; M118-K121 PolarHBondContact O-N 2.89Å; K121-K124 PolarHBondContact O-N 3.27Å; K121-A125 PolarHBondContact O-N 3.31Å; K121-A125 VanDerWaalsContact O-N 3.1Å
122R93Very high94.1Very high31 Ų3169.5 Ų69.512%0.11733%0.328CS..Hα-helixtrans-65.8-42.6177.5-85.4166.3154.5-86.1-7.5113.4D89 M118 F119 Q120 A125 G126 K127 N128 F132D89-R122 PolarHBondContact O-NH2 3.43Å; M118-R122 PolarHBondContact O-N 3.25Å; M118-R122 VanDerWaalsContact O-N 3.15Å; F119-R122 PolarHBondContact O-N 3.47Å; Q120-R122 VanDerWaalsContact C-N 3.34Å; Q120-R122 PolarHBondContact O-N 3.02Å; R122-A125 PolarHBondContact O-N 2.91Å; R122-G126 PolarHBondContact O-N 3.32Å; R122-K127 PolarHBondContact O-N 3Å; R122-N128 PolarHBondContact NH1-OD1 3.44Å; R122-F132 HydrophobicContact CB-CE2 4.08Å; R122-F132 HydrophobicContact CB-CZ 3.85Å
123F94Very high94.1Very high51 Ų5172 Ų7222%0.22434%0.344CS..Hα-helixtrans-62.4-44.8176.7176-110000111.7P50 I68 F119 Q120 A125 G126 F132P50-F123 HydrophobicContact CB-CD1 4.2Å; P50-F123 HydrophobicContact CB-CD2 4.39Å; P50-F123 HydrophobicContact CB-CE1 3.68Å; P50-F123 HydrophobicContact CB-CE2 3.89Å; P50-F123 HydrophobicContact CB-CZ 3.51Å; P50-F123 HydrophobicContact CG-CD1 4.3Å; P50-F123 HydrophobicContact CG-CD2 3.71Å; P50-F123 HydrophobicContact CG-CE1 4.07Å; P50-F123 HydrophobicContact CG-CE2 3.44Å; P50-F123 VanDerWaalsContact CG-CE2 3.44Å; P50-F123 HydrophobicContact CG-CG 4.14Å; P50-F123 HydrophobicContact CG-CZ 3.64Å; I68-F123 HydrophobicContact CD1-CB 3.95Å; I68-F123 HydrophobicContact CD1-CG 4.28Å; F119-F123 WeakPolarHBondContact O-CB 3.13Å; F119-F123 PolarHBondContact O-N 3.26Å; Q120-F123 PolarHBondContact O-N 3.22Å; F123-A125 VanDerWaalsContact C-N 3.27Å; F123-A125 PolarHBondContact O-N 2.98Å; F123-G126 PolarHBondContact O-N 3.2Å; F123-F132 HydrophobicContact CB-CD1 4.11Å; F123-F132 HydrophobicContact CB-CD2 4.23Å; F123-F132 HydrophobicContact CB-CE1 4.07Å; F123-F132 HydrophobicContact CB-CE2 4.17Å; F123-F132 HydrophobicContact CB-CG 4.21Å; F123-F132 HydrophobicContact CB-CZ 4.09Å; F123-F132 HydrophobicContact CD2-CB 3.75Å; F123-F132 HydrophobicContact CD2-CD1 4.26Å; F123-F132 HydrophobicContact CD2-CD2 4.1Å; F123-F132 AromaticContact CD2-CG 3.77Å; F123-F132 HydrophobicContact CD2-CG 3.77Å; F123-F132 HydrophobicContact CE2-CB 4.24Å; F123-F132 HydrophobicContact CG-CG 4.42Å
124K92.7Very high94.2Very high163 Ų16370.3 Ų70.371%0.70934%0.341SS*.Hα-helixtrans-62.7-33.9176.5-73175.7-179.6-1780112.6Q120 K121 G126Q120-K124 WeakPolarHBondContact O-CB 3.46Å; Q120-K124 VanDerWaalsContact O-CG 3.28Å; Q120-K124 WeakPolarHBondContact O-CG 3.37Å; Q120-K124 PolarHBondContact O-N 2.88Å; K121-K124 PolarHBondContact O-N 3.27Å; K124-G126 PolarHBondContact O-N 2.8Å
125A93Very high94.3Very high66 Ų6670.1 Ų70.155%0.54534%0.342SS..THydrogen-bonded Turntrans-73.2-2.4173.600000113.9K121 R122 F123 K127K121-A125 PolarHBondContact O-N 3.31Å; K121-A125 VanDerWaalsContact O-N 3.1Å; R122-A125 PolarHBondContact O-N 2.91Å; F123-A125 VanDerWaalsContact C-N 3.27Å; F123-A125 PolarHBondContact O-N 2.98Å; A125-K127 HydrophobicContact CB-CG 4.28Å; A125-K127 PolarHBondContact O-N 3.46Å
126G92.2Very high94.3Very high43 Ų4381.5 Ų81.544%0.44339%0.385SS..THydrogen-bonded Turntrans70.59.5-179.800000114.7R122 F123 K124R122-G126 PolarHBondContact O-N 3.32Å; F123-G126 PolarHBondContact O-N 3.2Å; K124-G126 PolarHBondContact O-N 2.8Å
127K92.8Very high94.1Very high110 Ų11087.2 Ų87.248%0.47841%0.41SS..  trans-78.6151.4179.9-65.9-170.2174.9-171.70111.1R122 A125 K129 F132R122-K127 PolarHBondContact O-N 3Å; A125-K127 HydrophobicContact CB-CG 4.28Å; A125-K127 PolarHBondContact O-N 3.46Å; K127-K129 PolarHBondContact O-N 3.24Å; K127-F132 WeakPolarHBondContact O-CD2 3.45Å; K127-F132 WeakPolarHBondContact O-CE2 3.3Å
128N93.1Very high94.1Very high53 Ų5386.2 Ų86.228%0.28341%0.405SS..  trans5348.1174.6-56.296.1000114.1R122 W130 F131 F132R122-N128 PolarHBondContact NH1-OD1 3.44Å; N128-W130 PolarHBondContact O-N 3.21Å; N128-W130 VanDerWaalsContact O-N 3.1Å; N128-F131 HydrophobicContact CB-CB 4.07Å; N128-F131 WeakPolarHBondContact O-CB 3.17Å; N128-F131 PolarHBondContact O-N 3.48Å; N128-F132 HydrophobicContact CB-CE2 4.26Å; N128-F132 WeakPolarHBondContact O-CD2 3.48Å; N128-F132 PolarHBondContact O-N 3.03Å
129K93.8Very high94.2Very high163 Ų16389.5 Ų89.571%0.70942%0.421SS*.Hα-helixtrans-46.3-44.4180-68.5-179.6-179173.60112.9K127 F131 F132 T133K127-K129 PolarHBondContact O-N 3.24Å; K129-F131 VanDerWaalsContact C-N 3.32Å; K129-F131 PolarHBondContact O-N 3.21Å; K129-F132 PolarHBondContact O-N 3.01Å; K129-T133 PolarHBondContact O-N 3.21Å; K129-T133 VanDerWaalsContact O-N 3.1Å; K129-T133 PolarHBondContact O-OG1 3.42Å
130W95.3Very high94.1Very high78 Ų7894.3 Ų94.330%0.29544%0.443SS..Hα-helixtrans-59.9-39.1178.9-172.689.4000113.1V10 L12 K22 T83 Y85 N128 F132 T133V10-W130 HydrophobicContact CG1-CE3 4.49Å; V10-W130 HydrophobicContact CG1-CZ3 3.79Å; L12-W130 HydrophobicContact CD1-CH2 4.38Å; K22-W130 HydrophobicContact CD-CE3 4.02Å; K22-W130 HydrophobicContact CD-CH2 4.12Å; K22-W130 HydrophobicContact CD-CZ3 3.8Å; K22-W130 HydrophobicContact CG-CH2 4.42Å; K22-W130 HydrophobicContact CG-CZ3 4.25Å; K22-W130 PolarHBondContact NZ-O 2.94Å; T83-W130 HydrophobicContact CG2-CH2 4.04Å; Y85-W130 AromaticContact CD2-CD2 3.63Å; Y85-W130 HydrophobicContact CD2-CD2 3.63Å; Y85-W130 AromaticContact CD2-CE2 3.98Å; Y85-W130 AromaticContact CD2-CE3 3.33Å; Y85-W130 HydrophobicContact CD2-CE3 3.33Å; Y85-W130 HydrophobicContact CD2-CG 4.38Å; Y85-W130 AromaticContact CD2-CH2 3.84Å; Y85-W130 HydrophobicContact CD2-CH2 3.84Å; Y85-W130 HydrophobicContact CD2-CZ2 4.1Å; Y85-W130 AromaticContact CD2-CZ3 3.44Å; Y85-W130 HydrophobicContact CD2-CZ3 3.44Å; Y85-W130 VanDerWaalsContact CD2-CZ3 3.44Å; Y85-W130 HydrophobicContact CE1-CB 4.28Å; Y85-W130 HydrophobicContact CE1-CD2 4.46Å; Y85-W130 HydrophobicContact CE1-CG 4.25Å; Y85-W130 AromaticContact CE2-CD2 3.34Å; Y85-W130 HydrophobicContact CE2-CD2 3.34Å; Y85-W130 AromaticContact CE2-CE2 3.4Å; Y85-W130 AromaticContact CE2-CE3 3.6Å; Y85-W130 HydrophobicContact CE2-CE3 3.6Å; Y85-W130 AromaticContact CE2-CG 3.83Å; Y85-W130 HydrophobicContact CE2-CG 3.83Å; Y85-W130 AromaticContact CE2-CH2 3.98Å; Y85-W130 HydrophobicContact CE2-CH2 3.98Å; Y85-W130 AromaticContact CE2-CZ2 3.74Å; Y85-W130 HydrophobicContact CE2-CZ2 3.74Å; Y85-W130 AromaticContact CE2-CZ3 3.91Å; Y85-W130 HydrophobicContact CE2-CZ3 3.91Å; Y85-W130 AromaticContact CE2-NE1 3.85Å; Y85-W130 HydrophobicContact CG-CD2 4.3Å; Y85-W130 AromaticContact CG-CE3 3.86Å; Y85-W130 HydrophobicContact CG-CE3 3.86Å; Y85-W130 HydrophobicContact CG-CZ3 4.22Å; Y85-W130 AromaticContact CZ-CD1 3.92Å; Y85-W130 AromaticContact CZ-CD2 3.81Å; Y85-W130 AromaticContact CZ-CG 3.75Å; N128-W130 PolarHBondContact O-N 3.21Å; N128-W130 VanDerWaalsContact O-N 3.1Å; W130-F132 VanDerWaalsContact C-N 3.35Å; W130-F132 PolarHBondContact O-N 3.43Å; W130-T133 PolarHBondContact O-N 2.64Å
131F96Very high94.2Very high8 Ų897.5 Ų97.54%0.03546%0.458CS..Hα-helixtrans-65.1-39179.8-178.1-109.8000112.1V10 K22 L24 I46 Y49 F119 N128 K129V10-F131 HydrophobicContact CG1-CD2 3.64Å; V10-F131 HydrophobicContact CG1-CE2 4.06Å; V10-F131 HydrophobicContact CG2-CD2 4.19Å; K22-F131 HydrophobicContact CB-CD2 3.84Å; K22-F131 HydrophobicContact CB-CE2 3.81Å; K22-F131 WeakPolarHBondContact CD-O 3.47Å; L24-F131 HydrophobicContact CB-CZ 4.45Å; I46-F131 HydrophobicContact CD1-CD1 3.74Å; I46-F131 HydrophobicContact CD1-CE1 3.41Å; I46-F131 VanDerWaalsContact CD1-CE1 3.41Å; I46-F131 HydrophobicContact CD1-CZ 3.97Å; I46-F131 HydrophobicContact CG1-CE1 3.98Å; I46-F131 HydrophobicContact CG1-CZ 4.18Å; Y49-F131 WeakPolarHBondContact CE1-O 3.32Å; F119-F131 HydrophobicContact CD1-CE1 4.32Å; F119-F131 AromaticContact CE1-CE1 3.95Å; F119-F131 HydrophobicContact CE1-CE1 3.95Å; F119-F131 HydrophobicContact CE1-CZ 4.28Å; F119-F131 HydrophobicContact CE2-CE1 4.22Å; F119-F131 HydrophobicContact CE2-CZ 4.3Å; F119-F131 AromaticContact CZ-CE1 3.91Å; F119-F131 HydrophobicContact CZ-CE1 3.91Å; F119-F131 AromaticContact CZ-CZ 3.88Å; F119-F131 HydrophobicContact CZ-CZ 3.88Å; N128-F131 HydrophobicContact CB-CB 4.07Å; N128-F131 WeakPolarHBondContact O-CB 3.17Å; N128-F131 PolarHBondContact O-N 3.48Å; K129-F131 VanDerWaalsContact C-N 3.32Å; K129-F131 PolarHBondContact O-N 3.21Å
132F96.2Very high94.2Very high7 Ų793.1 Ų93.13%0.03144%0.441CS..Hα-helixtrans-84.9-9.8-178.2-63.8-67.6000114.3I46 Y49 P50 I68 F119 R122 F123 K127 N128 K129 W130I46-F132 HydrophobicContact CD1-CD1 3.58Å; I46-F132 HydrophobicContact CD1-CE1 3.92Å; Y49-F132 VanDerWaalsContact CD1-O 3.3Å; Y49-F132 WeakPolarHBondContact CD1-O 3.48Å; P50-F132 HydrophobicContact CG-CB 4.18Å; I68-F132 HydrophobicContact CD1-CD1 3.87Å; I68-F132 HydrophobicContact CD1-CE1 3.85Å; F119-F132 HydrophobicContact CB-CE1 4.04Å; F119-F132 HydrophobicContact CG-CE1 4.4Å; F119-F132 WeakPolarHBondContact O-CE1 3.46Å; F119-F132 WeakPolarHBondContact O-CZ 3.19Å; R122-F132 HydrophobicContact CB-CE2 4.08Å; R122-F132 HydrophobicContact CB-CZ 3.85Å; F123-F132 HydrophobicContact CB-CD1 4.11Å; F123-F132 HydrophobicContact CB-CD2 4.23Å; F123-F132 HydrophobicContact CB-CE1 4.07Å; F123-F132 HydrophobicContact CB-CE2 4.17Å; F123-F132 HydrophobicContact CB-CG 4.21Å; F123-F132 HydrophobicContact CB-CZ 4.09Å; F123-F132 HydrophobicContact CD2-CB 3.75Å; F123-F132 HydrophobicContact CD2-CD1 4.26Å; F123-F132 HydrophobicContact CD2-CD2 4.1Å; F123-F132 AromaticContact CD2-CG 3.77Å; F123-F132 HydrophobicContact CD2-CG 3.77Å; F123-F132 HydrophobicContact CE2-CB 4.24Å; F123-F132 HydrophobicContact CG-CG 4.42Å; K127-F132 WeakPolarHBondContact O-CD2 3.45Å; K127-F132 WeakPolarHBondContact O-CE2 3.3Å; N128-F132 HydrophobicContact CB-CE2 4.26Å; N128-F132 WeakPolarHBondContact O-CD2 3.48Å; N128-F132 PolarHBondContact O-N 3.03Å; K129-F132 PolarHBondContact O-N 3.01Å; W130-F132 VanDerWaalsContact C-N 3.35Å; W130-F132 PolarHBondContact O-N 3.43Å
133T95.8Very high94.3Very high87 Ų8797.2 Ų97.253%0.53446%0.463SS..SBendtrans-86.2129.6172.7-590000110.3K22 K129 W130 L135K22-T133 PolarHBondContact NZ-O 3.15Å; K129-T133 PolarHBondContact O-N 3.21Å; K129-T133 VanDerWaalsContact O-N 3.1Å; K129-T133 PolarHBondContact O-OG1 3.42Å; W130-T133 PolarHBondContact O-N 2.64Å; T133-L135 PolarHBondContact O-N 2.88Å
134K96.7Very high94.3Very high131 Ų131100.5 Ų100.557%0.5748%0.48SS*.PPolyproline II helixtrans-58.7132.3175.4-174.8-176.8175-1710110.3Y49Y49-K134 HydrophobicContact CD2-CB 3.68Å; Y49-K134 HydrophobicContact CD2-CD 4.49Å; Y49-K134 HydrophobicContact CD2-CG 3.77Å; Y49-K134 HydrophobicContact CE2-CB 4.13Å; Y49-K134 HydrophobicContact CE2-CG 3.99Å; Y49-K134 HydrophobicContact CG-CB 3.95Å
135L96.1Very high94.5Very high55 Ų5595.7 Ų95.729%0.28846%0.462SS..PPolyproline II helixtrans-70.5129.6167.5-173.167.3000108.7L12 T133 F137L12-L135 HydrophobicContact CD1-CD2 3.99Å; L12-L135 HydrophobicContact CD2-CD2 3.78Å; T133-L135 PolarHBondContact O-N 2.88Å; L135-F137 HydrophobicContact CB-CD1 4.42Å; L135-F137 HydrophobicContact CD2-CD1 4.08Å; L135-F137 HydrophobicContact CG-CD1 4.09Å
136R95.4Very high94.6Very high240 Ų24098.2 Ų98.291%0.90646%0.455SS*.PPolyproline II helixtrans-97.9121.4174-65.9-171.8179-169.3-1.4107.9
137F92Very high94.8Very high203 Ų203103.2 Ų103.289%0.8946%0.456SS*.  trans-151.70173.364.7-86.1000106.6G20 L135G20-F137 VanDerWaalsContact CA-CE1 3.46Å; L135-F137 HydrophobicContact CB-CD1 4.42Å; L135-F137 HydrophobicContact CD2-CD1 4.08Å; L135-F137 HydrophobicContact CG-CD1 4.09Å

Retrieved 137 of 137 residues in 1005.5 ms (Link to these results)

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