A0A087YJ76_POEFO Loading...

Non-homologous end-joining factor 1

AlphaFold DB , UniProt , Accession A0A087YJ76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M30.4Very low57.3Low244 Ų244106.6 Ų106.6100%1.20255%0.553SS**  0110.30-83.7163.3168.200108.3
2N31.9Very low59.7Low165 Ų16597.8 Ų97.888%0.88251%0.507SS*.PPolyproline II helixtrans-76.9122.1169-94.2-28.8000107.4R4N2-R4 PolarHBondContact O-N 3.04Å
3P44.1Very low61.7Low117 Ų11791.7 Ų91.776%0.7648%0.476SS*.PPolyproline II helixtrans-62.5126.1170.525.9-29.7000107.5A5P3-A5 PolarHBondContact O-N 3.39Å; P3-A5 VanDerWaalsContact O-N 3.17Å
4R44.6Very low63.4Low246 Ų24690.1 Ų90.193%0.92847%0.465SS*.PPolyproline II helixtrans-51.5123168.4-100.2175.7169.2164.7-3.3107N2 D6N2-R4 PolarHBondContact O-N 3.04Å; R4-D6 PolarHBondContact O-N 3.03Å
5A54.3Low65Low39 Ų3988.1 Ų88.132%0.32245%0.453SS..PPolyproline II helixtrans-67.8119.2171.400000107.4P3P3-A5 PolarHBondContact O-N 3.39Å; P3-A5 VanDerWaalsContact O-N 3.17Å
6D64.5Low66.6Low79 Ų7984.7 Ų84.742%0.42244%0.438SS..PPolyproline II helixtrans-63.9133.7175-167.4-42.2000108.9R4 A8 D9 D10R4-D6 PolarHBondContact O-N 3.03Å; D6-A8 PolarHBondContact O-N 3.46Å; D6-A8 VanDerWaalsContact O-N 3.14Å; D6-A8 WeakPolarHBondContact OD1-CB 3.34Å; D6-A8 PolarHBondContact OD1-N 2.81Å; D6-D9 HydrophobicContact CB-CB 4.28Å; D6-D9 WeakPolarHBondContact O-CB 3.44Å; D6-D9 PolarHBondContact O-N 2.93Å; D6-D10 PolarHBondContact O-N 2.69Å
7P64Low68.1Low106 Ų10679.7 Ų79.769%0.68841%0.412SS*.Hα-helixtrans-51.5-31.1173.621.1-34.2000113.6D10 F11P7-D10 PolarHBondContact O-N 2.98Å; P7-F11 PolarHBondContact O-N 3.28Å; P7-F11 VanDerWaalsContact O-N 3.09Å
8A65.3Low69.4Low7 Ų778.1 Ų78.16%0.05840%0.404CS..Hα-helixtrans-64.9-39.1174.300000112.2D6 F11 L12 W32D6-A8 PolarHBondContact O-N 3.46Å; D6-A8 VanDerWaalsContact O-N 3.14Å; D6-A8 WeakPolarHBondContact OD1-CB 3.34Å; D6-A8 PolarHBondContact OD1-N 2.81Å; A8-F11 PolarHBondContact O-N 3.3Å; A8-L12 VanDerWaalsContact O-CB 3.28Å; A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 3.24Å; A8-W32 HydrophobicContact CB-CD2 4.28Å; A8-W32 HydrophobicContact CB-CE3 3.81Å; A8-W32 HydrophobicContact CB-CH2 3.86Å; A8-W32 HydrophobicContact CB-CZ2 4.39Å; A8-W32 HydrophobicContact CB-CZ3 3.58Å
9D73.9Confident70.5Confident37 Ų3777.3 Ų77.320%0.19840%0.404CS..Hα-helixtrans-67.8-38.1178.2-73.7-15.4000111.4D6 L13 H39 R52D6-D9 HydrophobicContact CB-CB 4.28Å; D6-D9 WeakPolarHBondContact O-CB 3.44Å; D6-D9 PolarHBondContact O-N 2.93Å; D9-L13 VanDerWaalsContact O-CB 3.29Å; D9-L13 WeakPolarHBondContact O-CB 3.33Å; D9-L13 PolarHBondContact O-N 3.47Å; D9-H39 IonicContact OD1-CE1 3.43Å; D9-H39 PolarHBondContact OD1-CE1 3.19Å; D9-H39 IonicContact OD1-ND1 2.66Å; D9-H39 PolarHBondContact OD1-ND1 2.92Å; D9-R52 IonicContact OD1-CZ 3.31Å; D9-R52 IonicContact OD1-NH1 3.76Å; D9-R52 PolarHBondContact OD1-NH1 3.06Å; D9-R52 IonicContact OD1-NH2 3.29Å; D9-R52 IonicContact OD2-CZ 2.91Å; D9-R52 IonicContact OD2-NH1 3.95Å; D9-R52 PolarHBondContact OD2-NH1 3.45Å; D9-R52 VanDerWaalsContact OD2-NH1 3.16Å; D9-R52 IonicContact OD2-NH2 2.83Å
10D75.4Confident71.5Confident40 Ų4073.9 Ų73.921%0.21439%0.387CS..Hα-helixtrans-68.3-34.5176.2-85.1-14.3000112.4D6 P7 Q14D6-D10 PolarHBondContact O-N 2.69Å; P7-D10 PolarHBondContact O-N 2.98Å; D10-Q14 PolarHBondContact O-NE2 3.46Å
11F82.1Confident72.4Confident93 Ų9373.5 Ų73.541%0.40839%0.39SS..Hα-helixtrans-72-50.1175.6-177.6-91.1000111.3P7 A8 L13 Q14 Q15 W32P7-F11 PolarHBondContact O-N 3.28Å; P7-F11 VanDerWaalsContact O-N 3.09Å; A8-F11 PolarHBondContact O-N 3.3Å; F11-L13 PolarHBondContact O-N 3.05Å; F11-Q14 WeakPolarHBondContact O-CB 3.29Å; F11-Q14 PolarHBondContact O-N 3.33Å; F11-Q15 HydrophobicContact CD1-CG 4.03Å; F11-Q15 HydrophobicContact CE1-CG 3.75Å; F11-Q15 PolarHBondContact O-N 2.89Å; F11-W32 HydrophobicContact CD1-CB 4.21Å; F11-W32 AromaticContact CD1-CD1 3.32Å; F11-W32 AromaticContact CD1-CG 3.94Å; F11-W32 HydrophobicContact CD1-CG 3.94Å; F11-W32 HydrophobicContact CE1-CB 4.47Å; F11-W32 AromaticContact CE1-CD1 3.44Å; F11-W32 VanDerWaalsContact CE1-CD1 3.44Å; F11-W32 HydrophobicContact CE1-CG 4.28Å
12L85.6Confident75.2Confident0 Ų061.9 Ų61.90%033%0.332CS..Hα-helixtrans-63.3-32.6-178.5-161.767.2000112.1A8 Q14 Q15 K30 W32 H39 L41A8-L12 VanDerWaalsContact O-CB 3.28Å; A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 3.24Å; L12-Q14 PolarHBondContact O-N 3.1Å; L12-Q15 PolarHBondContact O-N 2.91Å; L12-K30 HydrophobicContact CD1-CB 3.79Å; L12-K30 HydrophobicContact CG-CB 4.16Å; L12-K30 WeakPolarHBondContact O-CD 3.09Å; L12-K30 PolarHBondContact O-NZ 3.06Å; L12-W32 HydrophobicContact CD1-CB 3.87Å; L12-H39 HydrophobicContact CD2-CB 4.08Å; L12-H39 WeakPolarHBondContact CD2-ND1 3.43Å; L12-L41 HydrophobicContact CD2-CD1 3.34Å; L12-L41 HydrophobicContact CG-CD1 4.44Å
13L86.5Confident77.9Confident19 Ų1959.1 Ų59.110%0.09932%0.317CS..Hα-helixtrans-58-35.7172-178.162.2000113.1D9 F11 A136 Y222 T226D9-L13 VanDerWaalsContact O-CB 3.29Å; D9-L13 WeakPolarHBondContact O-CB 3.33Å; D9-L13 PolarHBondContact O-N 3.47Å; F11-L13 PolarHBondContact O-N 3.05Å; L13-A136 VanDerWaalsContact CD1-O 3.27Å; L13-A136 WeakPolarHBondContact CD1-O 3.46Å; L13-Y222 PolarHBondContact O-OH 3.39Å; L13-T226 HydrophobicContact CD1-CG2 3.97Å; L13-T226 HydrophobicContact CG-CG2 4.18Å; L13-T226 WeakPolarHBondContact O-CB 3.46Å; L13-T226 PolarHBondContact O-OG1 3.41Å
14Q85.2Confident79.9Confident69 Ų6956.6 Ų56.632%0.32231%0.313SS..Hα-helixtrans-84.6-15.8-179.1-67170.753.700113.1D10 F11 L12D10-Q14 PolarHBondContact O-NE2 3.46Å; F11-Q14 WeakPolarHBondContact O-CB 3.29Å; F11-Q14 PolarHBondContact O-N 3.33Å; L12-Q14 PolarHBondContact O-N 3.1Å
15Q87.8Confident82Confident61 Ų6147.4 Ų47.429%0.28529%0.286SS..SBendtrans-67.9142.3173.7-65.9-55.8-44.500110.6F11 L12 K30F11-Q15 HydrophobicContact CD1-CG 4.03Å; F11-Q15 HydrophobicContact CE1-CG 3.75Å; F11-Q15 PolarHBondContact O-N 2.89Å; L12-Q15 PolarHBondContact O-N 2.91Å; Q15-K30 WeakPolarHBondContact O-CE 3.37Å; Q15-K30 PolarHBondContact O-NZ 3.33Å
16P90Very high83.7Confident33 Ų3348.4 Ų48.421%0.21428%0.284CS..PPolyproline II helixtrans-67155.8170.531-34.7000110L18 Q219P16-L18 HydrophobicContact CB-CD2 4.37Å; P16-L18 HydrophobicContact CG-CD2 3.95Å; P16-L18 HydrophobicContact CG-CG 4.27Å; P16-Q219 HydrophobicContact CB-CB 4.22Å
17W92.8Very high85Confident0 Ų044.8 Ų44.80%026%0.264CS..PPolyproline II helixtrans-79.5120.8167.4-77.699.7000108.3L28 T29 K30 L41 T43 Q137 L138 F214 Q219 Y222W17-L28 HydrophobicContact CB-CB 4.32Å; W17-L28 HydrophobicContact CB-CD1 4.42Å; W17-L28 HydrophobicContact CB-CD2 4.37Å; W17-L28 HydrophobicContact CD2-CB 4.43Å; W17-L28 HydrophobicContact CE3-CB 3.74Å; W17-L28 HydrophobicContact CZ3-CB 4.44Å; W17-T29 CarbonylContact C-O 3.58Å; W17-T29 WeakPolarHBondContact CA-O 2.9Å; W17-K30 HydrophobicContact CD2-CD 4.02Å; W17-K30 HydrophobicContact CD2-CG 3.81Å; W17-K30 VanDerWaalsContact CE2-CE 3.44Å; W17-K30 HydrophobicContact CE3-CD 4.36Å; W17-K30 HydrophobicContact CE3-CG 3.75Å; W17-K30 HydrophobicContact CG-CD 4.4Å; W17-K30 VanDerWaalsContact CG-CE 3.49Å; W17-K30 HydrophobicContact CG-CG 4.25Å; W17-K30 HydrophobicContact CZ2-CD 4.27Å; W17-K30 HydrophobicContact CZ3-CG 4.15Å; W17-K30 VanDerWaalsContact NE1-CE 3.28Å; W17-L41 HydrophobicContact CH2-CB 3.88Å; W17-L41 HydrophobicContact CH2-CD2 4.04Å; W17-L41 HydrophobicContact CZ2-CD2 4.38Å; W17-L41 HydrophobicContact CZ3-CB 4.14Å; W17-T43 HydrophobicContact CE3-CG2 4.15Å; W17-T43 HydrophobicContact CH2-CG2 4.16Å; W17-T43 HydrophobicContact CZ3-CG2 3.79Å; W17-Q137 HydrophobicContact CZ2-CB 4.05Å; W17-Q137 PolarHBondContact NE1-O 2.62Å; W17-L138 HydrophobicContact CD2-CD2 4.47Å; W17-L138 HydrophobicContact CZ2-CD1 4.22Å; W17-L138 HydrophobicContact CZ2-CD2 3.69Å; W17-L138 HydrophobicContact CZ2-CG 3.81Å; W17-F214 HydrophobicContact CB-CD1 3.82Å; W17-F214 HydrophobicContact CB-CE1 3.84Å; W17-F214 AromaticContact CD1-CE1 3.76Å; W17-F214 HydrophobicContact CG-CD1 4.39Å; W17-F214 HydrophobicContact CG-CE1 4.12Å; W17-Q219 PolarHBondContact O-NE2 2.83Å; W17-Q219 PolarHBondContact O-OE1 2.8Å; W17-Q219 VanDerWaalsContact O-OE1 3.11Å; W17-Y222 AromaticContact CD1-CE2 3.99Å; W17-Y222 AromaticContact CD1-CZ 3.99Å; W17-Y222 AromaticContact NE1-CE2 3.97Å; W17-Y222 AromaticContact NE1-CZ 3.92Å
18L91.2Very high86.4Confident50 Ų5039.9 Ų39.926%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-101.5130.2-175.2-63.9170.2000110.1P16 L28 T29 S89P16-L18 HydrophobicContact CB-CD2 4.37Å; P16-L18 HydrophobicContact CG-CD2 3.95Å; P16-L18 HydrophobicContact CG-CG 4.27Å; L18-L28 CarbonylContact O-C 3.32Å; L18-L28 WeakPolarHBondContact O-CA 3.35Å; L18-T29 PolarHBondContact N-O 3.44Å; L18-T29 PolarHBondContact O-N 3.06Å; L18-T29 PolarHBondContact O-OG1 3.5Å; L18-T29 VanDerWaalsContact O-OG1 3.12Å; L18-S89 WeakPolarHBondContact CD1-O 3.4Å
19P90.8Very high87.7Confident64 Ų6439.6 Ų39.642%0.41623%0.23SC..EExtended strand (participates in β ladder)trans-70.9132.1173.729.8-32.8000109.7L27 L28 P212P19-L27 WeakPolarHBondContact CA-O 3.42Å; P19-L28 HydrophobicContact CB-CD2 4.19Å; P19-P212 HydrophobicContact CB-CG 4.41Å
20V89.9Confident88.7Confident9 Ų937.9 Ų37.96%0.05522%0.221CC..EExtended strand (participates in β ladder)trans-133.7146.2174.9-55.10000109.5I22 L27 T29 W87V20-I22 HydrophobicContact CB-CD1 4.49Å; V20-I22 HydrophobicContact CB-CG1 4.38Å; V20-I22 HydrophobicContact CG2-CD1 3.85Å; V20-I22 HydrophobicContact CG2-CG1 4.06Å; V20-L27 HydrophobicContact CG2-CB 3.75Å; V20-L27 PolarHBondContact N-O 2.92Å; V20-L27 PolarHBondContact O-N 3.39Å; V20-T29 HydrophobicContact CB-CG2 4.31Å; V20-T29 HydrophobicContact CG1-CG2 3.88Å; V20-T29 WeakPolarHBondContact CG1-OG1 3.48Å; V20-T29 HydrophobicContact CG2-CG2 3.4Å; V20-W87 VanDerWaalsContact CG1-O 3.23Å; V20-W87 WeakPolarHBondContact CG1-O 3.39Å
21C89.8Confident89.6Confident66 Ų6636.9 Ų36.945%0.44622%0.217SC..EExtended strand (participates in β ladder)trans-116.4113.5169.6-179.40000108.4C25 Q26C21-C25 WeakPolarHBondContact CA-O 3.26Å; C21-Q26 PolarHBondContact SG-NE2 2.97Å
22I90.2Very high90.1Very high0 Ų034.8 Ų34.80%021%0.206CC..EExtended strand (participates in β ladder)trans-125118-178.6-53.7170.4000107.1V20 G24 C25 W87 M98 V100 L109V20-I22 HydrophobicContact CB-CD1 4.49Å; V20-I22 HydrophobicContact CB-CG1 4.38Å; V20-I22 HydrophobicContact CG2-CD1 3.85Å; V20-I22 HydrophobicContact CG2-CG1 4.06Å; I22-G24 PolarHBondContact O-N 3.43Å; I22-C25 PolarHBondContact N-O 3.14Å; I22-C25 VanDerWaalsContact O-CB 3.26Å; I22-C25 WeakPolarHBondContact O-CB 3.3Å; I22-C25 PolarHBondContact O-N 3.01Å; I22-W87 HydrophobicContact CG1-CE3 4.14Å; I22-M98 HydrophobicContact CD1-SD 3.79Å; I22-M98 HydrophobicContact CG2-CB 3.91Å; I22-M98 HydrophobicContact CG2-CG 3.75Å; I22-M98 WeakPolarHBondContact CG2-O 3.48Å; I22-M98 HydrophobicContact CG2-SD 4.27Å; I22-V100 HydrophobicContact CB-CG2 3.62Å; I22-V100 HydrophobicContact CG2-CG2 3.48Å; I22-V100 VanDerWaalsContact CG2-CG2 3.48Å; I22-V100 WeakPolarHBondContact O-CG2 3.36Å; I22-L109 HydrophobicContact CD1-CD1 4.45Å; I22-L109 HydrophobicContact CD1-CD2 4.49Å
23D87.9Confident90.5Very high106 Ų10635.8 Ų35.857%0.56721%0.21SC*.THydrogen-bonded Turntrans54.740.3179.8-158.522000113.2C25 C99 V100D23-C25 PolarHBondContact O-N 3.46Å; D23-C25 VanDerWaalsContact O-N 3.13Å; D23-C99 HydrophobicContact CB-CB 4.19Å; D23-C99 WeakPolarHBondContact OD2-CB 3.07Å; D23-V100 HydrophobicContact CB-CG2 4.38Å
24G86.5Confident90.7Very high65 Ų6535.7 Ų35.767%0.6721%0.214SC*.THydrogen-bonded Turntrans72.2-2.9-17600000114.9I22I22-G24 PolarHBondContact O-N 3.43Å
25C88.4Confident91Very high52 Ų5237.9 Ų37.935%0.35123%0.228SC..EExtended strand (participates in β ladder)trans-87.2123.1175.8-63.30000110.3C21 I22 D23 V100C21-C25 WeakPolarHBondContact CA-O 3.26Å; I22-C25 PolarHBondContact N-O 3.14Å; I22-C25 VanDerWaalsContact O-CB 3.26Å; I22-C25 WeakPolarHBondContact O-CB 3.3Å; I22-C25 PolarHBondContact O-N 3.01Å; D23-C25 PolarHBondContact O-N 3.46Å; D23-C25 VanDerWaalsContact O-N 3.13Å; C25-V100 HydrophobicContact CB-CB 4.39Å; C25-V100 HydrophobicContact CB-CG1 4.48Å; C25-V100 HydrophobicContact CB-CG2 4.22Å
26Q89.7Confident91.3Very high60 Ų6035 Ų3528%0.2822%0.215SC..EExtended strand (participates in β ladder)trans-87.4120.8177.3-60.8-71-8.300109.5C21 D210C21-Q26 PolarHBondContact SG-NE2 2.97Å; Q26-D210 WeakPolarHBondContact CB-O 3.49Å; Q26-D210 HydrophobicContact CG-CB 3.92Å; Q26-D210 WeakPolarHBondContact CG-O 3.11Å; Q26-D210 PolarHBondContact OE1-O 3.4Å
27L91.6Very high91.5Very high3 Ų337.2 Ų37.22%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-132.4154.4-176.2-57.9172.3000110P19 V20 T43 D44 M107 L109P19-L27 WeakPolarHBondContact CA-O 3.42Å; V20-L27 HydrophobicContact CG2-CB 3.75Å; V20-L27 PolarHBondContact N-O 2.92Å; V20-L27 PolarHBondContact O-N 3.39Å; L27-T43 CarbonylContact C-O 3.57Å; L27-T43 WeakPolarHBondContact CA-O 3.44Å; L27-D44 HydrophobicContact CD2-CB 3.72Å; L27-M107 HydrophobicContact CD2-CE 4.22Å; L27-L109 HydrophobicContact CD1-CD2 4.37Å
28L93.2Very high91.7Very high4 Ų437.4 Ų37.42%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-101.9131.6157.8-66.9172.9000108.8W17 L18 P19 L42 T43 M45 P212 F214W17-L28 HydrophobicContact CB-CB 4.32Å; W17-L28 HydrophobicContact CB-CD1 4.42Å; W17-L28 HydrophobicContact CB-CD2 4.37Å; W17-L28 HydrophobicContact CD2-CB 4.43Å; W17-L28 HydrophobicContact CE3-CB 3.74Å; W17-L28 HydrophobicContact CZ3-CB 4.44Å; L18-L28 CarbonylContact O-C 3.32Å; L18-L28 WeakPolarHBondContact O-CA 3.35Å; P19-L28 HydrophobicContact CB-CD2 4.19Å; L28-L42 CarbonylContact O-C 3.55Å; L28-L42 WeakPolarHBondContact O-CA 3.17Å; L28-T43 HydrophobicContact CB-CG2 3.67Å; L28-T43 HydrophobicContact CD1-CG2 4.24Å; L28-T43 HydrophobicContact CG-CG2 4.45Å; L28-T43 PolarHBondContact N-O 2.79Å; L28-T43 PolarHBondContact O-N 3.13Å; L28-M45 HydrophobicContact CD1-SD 3.83Å; L28-P212 HydrophobicContact CD1-CB 4.24Å; L28-P212 HydrophobicContact CD1-CG 4.34Å; L28-P212 HydrophobicContact CD2-CB 4.31Å; L28-P212 HydrophobicContact CD2-CG 3.55Å; L28-P212 HydrophobicContact CG-CB 3.96Å; L28-P212 HydrophobicContact CG-CG 3.59Å; L28-F214 HydrophobicContact CD1-CB 4.25Å; L28-F214 HydrophobicContact CD1-CD1 4.25Å
29T94.1Very high91.9Very high0 Ų035.2 Ų35.20%021%0.211CC..EExtended strand (participates in β ladder)trans-115.6150.7-179.253.60000111.4W17 L18 V20 L41 L42 L88W17-T29 CarbonylContact C-O 3.58Å; W17-T29 WeakPolarHBondContact CA-O 2.9Å; L18-T29 PolarHBondContact N-O 3.44Å; L18-T29 PolarHBondContact O-N 3.06Å; L18-T29 PolarHBondContact O-OG1 3.5Å; L18-T29 VanDerWaalsContact O-OG1 3.12Å; V20-T29 HydrophobicContact CB-CG2 4.31Å; V20-T29 HydrophobicContact CG1-CG2 3.88Å; V20-T29 WeakPolarHBondContact CG1-OG1 3.48Å; V20-T29 HydrophobicContact CG2-CG2 3.4Å; T29-L41 CarbonylContact C-O 3.53Å; T29-L41 WeakPolarHBondContact CA-O 3.43Å; T29-L42 HydrophobicContact CG2-CD2 3.55Å; T29-L88 WeakPolarHBondContact CB-O 3.49Å; T29-L88 HydrophobicContact CG2-CD2 4.13Å; T29-L88 PolarHBondContact OG1-O 2.9Å
30K94.3Very high92.1Very high2 Ų232.1 Ų32.11%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-132.3134.2152.7-67.9-173.2174.1-1700108.3L12 Q15 W17 V40 L41 Y222L12-K30 HydrophobicContact CD1-CB 3.79Å; L12-K30 HydrophobicContact CG-CB 4.16Å; L12-K30 WeakPolarHBondContact O-CD 3.09Å; L12-K30 PolarHBondContact O-NZ 3.06Å; Q15-K30 WeakPolarHBondContact O-CE 3.37Å; Q15-K30 PolarHBondContact O-NZ 3.33Å; W17-K30 HydrophobicContact CD2-CD 4.02Å; W17-K30 HydrophobicContact CD2-CG 3.81Å; W17-K30 VanDerWaalsContact CE2-CE 3.44Å; W17-K30 HydrophobicContact CE3-CD 4.36Å; W17-K30 HydrophobicContact CE3-CG 3.75Å; W17-K30 HydrophobicContact CG-CD 4.4Å; W17-K30 VanDerWaalsContact CG-CE 3.49Å; W17-K30 HydrophobicContact CG-CG 4.25Å; W17-K30 HydrophobicContact CZ2-CD 4.27Å; W17-K30 HydrophobicContact CZ3-CG 4.15Å; W17-K30 VanDerWaalsContact NE1-CE 3.28Å; K30-V40 CarbonylContact O-C 3.56Å; K30-V40 WeakPolarHBondContact O-CA 3.21Å; K30-L41 HydrophobicContact CB-CB 4.35Å; K30-L41 PolarHBondContact N-O 3.09Å; K30-L41 PolarHBondContact O-N 3.15Å; K30-Y222 VanDerWaalsContact NZ-CE1 3.29Å; K30-Y222 VanDerWaalsContact NZ-CZ 3.33Å; K30-Y222 PolarHBondContact NZ-OH 2.85Å
31S93.7Very high92.4Very high18 Ų1831.7 Ų31.713%0.12619%0.189CC..EExtended strand (participates in β ladder)trans-134.4144.6175.850.80000110.7H39S31-H39 CarbonylContact C-O 3.58Å; S31-H39 WeakPolarHBondContact CA-O 3.32Å
32W93.2Very high92.7Very high50 Ų5028.6 Ų28.619%0.18917%0.168CC..EExtended strand (participates in β ladder)trans-130.5129.7166.8169.475.5000108.5A8 F11 L12 E37 Y38 H39A8-W32 HydrophobicContact CB-CD2 4.28Å; A8-W32 HydrophobicContact CB-CE3 3.81Å; A8-W32 HydrophobicContact CB-CH2 3.86Å; A8-W32 HydrophobicContact CB-CZ2 4.39Å; A8-W32 HydrophobicContact CB-CZ3 3.58Å; F11-W32 HydrophobicContact CD1-CB 4.21Å; F11-W32 AromaticContact CD1-CD1 3.32Å; F11-W32 AromaticContact CD1-CG 3.94Å; F11-W32 HydrophobicContact CD1-CG 3.94Å; F11-W32 HydrophobicContact CE1-CB 4.47Å; F11-W32 AromaticContact CE1-CD1 3.44Å; F11-W32 VanDerWaalsContact CE1-CD1 3.44Å; F11-W32 HydrophobicContact CE1-CG 4.28Å; L12-W32 HydrophobicContact CD1-CB 3.87Å; W32-E37 HydrophobicContact CH2-CG 3.56Å; W32-E37 VanDerWaalsContact CH2-OE1 3.25Å; W32-E37 WeakPolarHBondContact CH2-OE1 3.47Å; W32-E37 HydrophobicContact CZ3-CG 3.73Å; W32-Y38 CarbonylContact O-C 3.59Å; W32-Y38 WeakPolarHBondContact O-CA 3.49Å; W32-Y38 WeakPolarHBondContact O-CB 3.29Å; W32-H39 HydrophobicContact CE3-CB 4.18Å; W32-H39 PolarHBondContact N-O 2.7Å; W32-H39 PolarHBondContact O-N 3.1Å
33F92.9Very high92.9Very high20 Ų2028.8 Ų28.89%0.08817%0.169CC..EExtended strand (participates in β ladder)trans-116.7110.7175.6-67.8-90.2000108.4F77 R81 A84 E85 L88 F124F33-F77 HydrophobicContact CB-CZ 4.2Å; F33-F77 HydrophobicContact CD1-CE2 4.13Å; F33-F77 AromaticContact CD1-CZ 3.82Å; F33-F77 HydrophobicContact CD1-CZ 3.82Å; F33-R81 HydrophobicContact CB-CG 3.88Å; F33-R81 HydrophobicContact CD1-CB 4.17Å; F33-R81 HydrophobicContact CD1-CG 4.11Å; F33-R81 HydrophobicContact CD2-CG 4.41Å; F33-R81 HydrophobicContact CG-CB 4.46Å; F33-R81 HydrophobicContact CG-CG 3.9Å; F33-A84 HydrophobicContact CE1-CB 4.48Å; F33-A84 HydrophobicContact CZ-CB 4.1Å; F33-E85 HydrophobicContact CD2-CB 4.3Å; F33-E85 HydrophobicContact CD2-CG 4.22Å; F33-E85 HydrophobicContact CE2-CB 4.05Å; F33-E85 HydrophobicContact CE2-CG 4.24Å; F33-L88 HydrophobicContact CE2-CD1 4.2Å; F33-L88 HydrophobicContact CZ-CD1 3.87Å; F33-F124 HydrophobicContact CZ-CZ 4.47Å
34G91.4Very high93Very high18 Ų1825.3 Ų25.319%0.18615%0.151CC..  trans-92.5-140.4179.700000112.5E37 F77G34-E37 PolarHBondContact N-O 3.27Å; G34-F77 WeakPolarHBondContact O-CE1 3.42Å
35N91.3Very high93.1Very high114 Ų11428.2 Ų28.261%0.6115%0.148SC*.SBendtrans-100.193.8175.6-177.718.8000110.6E37 Q74N35-E37 PolarHBondContact O-N 2.73Å; N35-Q74 VanDerWaalsContact OD1-CD 3.31Å; N35-Q74 PolarHBondContact OD1-NE2 2.96Å; N35-Q74 PolarHBondContact OD1-OE1 3.41Å
36A93.9Very high93.2Very high1 Ų134.2 Ų34.21%0.00817%0.171CC..SBendtrans54.739.2-171.100000113.3D54 A55 I58 V73 Q74 F77A36-D54 CarbonylContact O-C 3.44Å; A36-A55 HydrophobicContact CB-CB 3.99Å; A36-A55 WeakPolarHBondContact O-CA 3Å; A36-A55 WeakPolarHBondContact O-CB 3.32Å; A36-A55 PolarHBondContact O-N 3.39Å; A36-I58 WeakPolarHBondContact O-CD1 3.48Å; A36-V73 HydrophobicContact CB-CG2 4.29Å; A36-Q74 VanDerWaalsContact CB-NE2 3.31Å; A36-F77 VanDerWaalsContact CA-CD1 3.44Å; A36-F77 HydrophobicContact CB-CB 4.34Å; A36-F77 HydrophobicContact CB-CD1 4.36Å; A36-F77 HydrophobicContact CB-CG 4.31Å; A36-F77 VanDerWaalsContact N-CD1 3.34Å
37E95.1Very high93.3Very high80 Ų8032.2 Ų32.237%0.37417%0.167SC..  trans-151.5151.5174.460.9-174.3164.300108.8W32 G34 N35 M53 F77W32-E37 HydrophobicContact CH2-CG 3.56Å; W32-E37 VanDerWaalsContact CH2-OE1 3.25Å; W32-E37 WeakPolarHBondContact CH2-OE1 3.47Å; W32-E37 HydrophobicContact CZ3-CG 3.73Å; G34-E37 PolarHBondContact N-O 3.27Å; N35-E37 PolarHBondContact O-N 2.73Å; E37-M53 CarbonylContact C-O 3.57Å; E37-M53 WeakPolarHBondContact CA-O 3.42Å; E37-M53 WeakPolarHBondContact CB-O 3.44Å; E37-F77 WeakPolarHBondContact O-CZ 3.38Å
38Y95.7Very high93.5Very high3 Ų333.2 Ų33.21%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-149.2159.2175.770.2-101.7000112.6W32 V40 E51 R52 M53 I58 F77 L80 W122 F124W32-Y38 CarbonylContact O-C 3.59Å; W32-Y38 WeakPolarHBondContact O-CA 3.49Å; W32-Y38 WeakPolarHBondContact O-CB 3.29Å; Y38-V40 HydrophobicContact CD2-CG2 3.87Å; Y38-V40 HydrophobicContact CE2-CG2 4.22Å; Y38-E51 HydrophobicContact CE2-CB 4.45Å; Y38-E51 HydrophobicContact CE2-CG 4.1Å; Y38-E51 WeakPolarHBondContact CE2-OE2 3.41Å; Y38-E51 PolarHBondContact OH-OE2 2.92Å; Y38-R52 WeakPolarHBondContact O-CA 3.39Å; Y38-M53 HydrophobicContact CD1-CB 3.79Å; Y38-M53 HydrophobicContact CD1-CG 4.39Å; Y38-M53 HydrophobicContact CD2-CB 4.38Å; Y38-M53 HydrophobicContact CE1-CB 3.49Å; Y38-M53 VanDerWaalsContact CE1-CB 3.49Å; Y38-M53 HydrophobicContact CE1-CG 3.65Å; Y38-M53 HydrophobicContact CE2-CB 4.08Å; Y38-M53 HydrophobicContact CE2-CG 3.8Å; Y38-M53 HydrophobicContact CG-CB 4.28Å; Y38-M53 PolarHBondContact N-O 2.74Å; Y38-M53 PolarHBondContact O-N 2.59Å; Y38-M53 WeakPolarHBondContact OH-CG 3.5Å; Y38-I58 HydrophobicContact CD1-CD1 3.86Å; Y38-I58 HydrophobicContact CD1-CG1 4.34Å; Y38-I58 HydrophobicContact CE1-CD1 4.17Å; Y38-I58 HydrophobicContact CE1-CG1 4.14Å; Y38-F77 AromaticContact CD1-CE2 3.95Å; Y38-F77 HydrophobicContact CD1-CE2 3.95Å; Y38-L80 HydrophobicContact CE1-CD2 4.32Å; Y38-W122 AromaticContact CE1-CZ2 3.81Å; Y38-W122 HydrophobicContact CE1-CZ2 3.81Å; Y38-W122 AromaticContact CZ-NE1 3.96Å; Y38-W122 WeakPolarHBondContact OH-CZ2 3.4Å; Y38-W122 PolarHBondContact OH-NE1 3.35Å; Y38-F124 HydrophobicContact CD2-CD1 4.44Å; Y38-F124 HydrophobicContact CD2-CE1 4.27Å; Y38-F124 HydrophobicContact CE1-CE1 4.28Å; Y38-F124 AromaticContact CE2-CD1 3.62Å; Y38-F124 HydrophobicContact CE2-CD1 3.62Å; Y38-F124 AromaticContact CE2-CE1 3.79Å; Y38-F124 HydrophobicContact CE2-CE1 3.79Å; Y38-F124 AromaticContact CZ-CD1 3.68Å; Y38-F124 AromaticContact CZ-CE1 3.74Å
39H95.5Very high93.7Very high4 Ų433.6 Ų33.62%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-136.3121.8170.8-167.8176.3000109.1D9 L12 S31 W32 L41 E50 E51 R52D9-H39 IonicContact OD1-CE1 3.43Å; D9-H39 PolarHBondContact OD1-CE1 3.19Å; D9-H39 IonicContact OD1-ND1 2.66Å; D9-H39 PolarHBondContact OD1-ND1 2.92Å; L12-H39 HydrophobicContact CD2-CB 4.08Å; L12-H39 WeakPolarHBondContact CD2-ND1 3.43Å; S31-H39 CarbonylContact C-O 3.58Å; S31-H39 WeakPolarHBondContact CA-O 3.32Å; W32-H39 HydrophobicContact CE3-CB 4.18Å; W32-H39 PolarHBondContact N-O 2.7Å; W32-H39 PolarHBondContact O-N 3.1Å; H39-L41 WeakPolarHBondContact NE2-CD1 3.44Å; H39-E50 IonicContact CE1-OE2 3.17Å; H39-E50 IonicContact NE2-OE2 3.47Å; H39-E50 PolarHBondContact NE2-OE2 3.07Å; H39-E51 WeakPolarHBondContact CA-O 3.38Å; H39-E51 PolarHBondContact CD2-O 3.29Å; H39-R52 VanDerWaalsContact CD2-CG 3.5Å; H39-R52 WeakPolarHBondContact CD2-CG 3.32Å; H39-R52 VanDerWaalsContact CE1-CZ 3.47Å; H39-R52 PolarHBondContact CE1-NE 2.89Å; H39-R52 PolarHBondContact CE1-NH2 3.45Å; H39-R52 PolarHBondContact NE2-NE 3.4Å
40V95.5Very high93.8Very high0 Ų035.1 Ų35.10%018%0.181CC..EExtended strand (participates in β ladder)trans-121.3131.3178.8177.60000109.7K30 Y38 L42 E50 E51 L88 F124K30-V40 CarbonylContact O-C 3.56Å; K30-V40 WeakPolarHBondContact O-CA 3.21Å; Y38-V40 HydrophobicContact CD2-CG2 3.87Å; Y38-V40 HydrophobicContact CE2-CG2 4.22Å; V40-L42 HydrophobicContact CG1-CD2 3.8Å; V40-L42 HydrophobicContact CG1-CG 4.05Å; V40-E50 CarbonylContact O-C 3.57Å; V40-E50 VanDerWaalsContact O-CA 3.28Å; V40-E50 WeakPolarHBondContact O-CA 3.1Å; V40-E51 PolarHBondContact N-O 3.37Å; V40-E51 PolarHBondContact O-N 3.39Å; V40-L88 HydrophobicContact CG1-CD1 4.25Å; V40-L88 HydrophobicContact CG2-CD1 3.86Å; V40-F124 HydrophobicContact CG2-CD1 4.15Å; V40-F124 HydrophobicContact CG2-CE1 4.17Å
41L96.4Very high94Very high0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-116140.9167.8-83.367000110L12 W17 T29 K30 H39 W49 E50 L133 Q137L12-L41 HydrophobicContact CD2-CD1 3.34Å; L12-L41 HydrophobicContact CG-CD1 4.44Å; W17-L41 HydrophobicContact CH2-CB 3.88Å; W17-L41 HydrophobicContact CH2-CD2 4.04Å; W17-L41 HydrophobicContact CZ2-CD2 4.38Å; W17-L41 HydrophobicContact CZ3-CB 4.14Å; T29-L41 CarbonylContact C-O 3.53Å; T29-L41 WeakPolarHBondContact CA-O 3.43Å; K30-L41 HydrophobicContact CB-CB 4.35Å; K30-L41 PolarHBondContact N-O 3.09Å; K30-L41 PolarHBondContact O-N 3.15Å; H39-L41 WeakPolarHBondContact NE2-CD1 3.44Å; L41-W49 VanDerWaalsContact CA-O 3.31Å; L41-W49 WeakPolarHBondContact CA-O 3.44Å; L41-E50 HydrophobicContact CD1-CB 4.28Å; L41-E50 HydrophobicContact CG-CB 4.32Å; L41-L133 HydrophobicContact CD1-CD2 4.28Å; L41-L133 HydrophobicContact CD2-CD1 4.45Å; L41-L133 HydrophobicContact CD2-CD2 3.96Å; L41-L133 HydrophobicContact CD2-CG 4.14Å; L41-L133 HydrophobicContact CG-CD2 4.21Å; L41-Q137 HydrophobicContact CD2-CB 4.26Å; L41-Q137 HydrophobicContact CD2-CG 3.74Å
42L95.4Very high94.1Very high0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-132144.3179.2-51.7172.9000109.6L28 T29 V40 V48 W49 M107 L109 C126L28-L42 CarbonylContact O-C 3.55Å; L28-L42 WeakPolarHBondContact O-CA 3.17Å; T29-L42 HydrophobicContact CG2-CD2 3.55Å; V40-L42 HydrophobicContact CG1-CD2 3.8Å; V40-L42 HydrophobicContact CG1-CG 4.05Å; L42-V48 CarbonylContact O-C 3.6Å; L42-V48 WeakPolarHBondContact O-CA 3.47Å; L42-W49 HydrophobicContact CB-CB 4.48Å; L42-W49 PolarHBondContact N-O 3.03Å; L42-W49 PolarHBondContact O-N 3.05Å; L42-M107 HydrophobicContact CD1-CG 3.97Å; L42-L109 HydrophobicContact CD1-CD1 3.68Å; L42-L109 HydrophobicContact CD1-CD2 4.21Å; L42-L109 HydrophobicContact CD1-CG 3.9Å; L42-L109 HydrophobicContact CD2-CD1 3.98Å; L42-L109 HydrophobicContact CG-CD1 4.48Å; L42-C126 HydrophobicContact CD1-CB 4.15Å
43T94.2Very high94.2Very high4 Ų438.3 Ų38.33%0.02519%0.192CC..EExtended strand (participates in β ladder)trans-144.5138.3165.7176.60000110.6W17 L27 L28 M45 G47W17-T43 HydrophobicContact CE3-CG2 4.15Å; W17-T43 HydrophobicContact CH2-CG2 4.16Å; W17-T43 HydrophobicContact CZ3-CG2 3.79Å; L27-T43 CarbonylContact C-O 3.57Å; L27-T43 WeakPolarHBondContact CA-O 3.44Å; L28-T43 HydrophobicContact CB-CG2 3.67Å; L28-T43 HydrophobicContact CD1-CG2 4.24Å; L28-T43 HydrophobicContact CG-CG2 4.45Å; L28-T43 PolarHBondContact N-O 2.79Å; L28-T43 PolarHBondContact O-N 3.13Å; T43-M45 HydrophobicContact CG2-SD 4.46Å; T43-M45 PolarHBondContact OG1-N 3.37Å; T43-G47 VanDerWaalsContact CA-O 3.3Å; T43-G47 WeakPolarHBondContact CA-O 3.49Å; T43-G47 WeakPolarHBondContact CB-O 3.26Å; T43-G47 PolarHBondContact OG1-O 3.44Å
44D91.2Very high94.4Very high34 Ų3441.7 Ų41.718%0.18221%0.211CC..  trans-102.417.6169.966.8-10.9000111L27 Q46 G47 W49 R102L27-D44 HydrophobicContact CD2-CB 3.72Å; D44-Q46 PolarHBondContact O-N 2.83Å; D44-Q46 VanDerWaalsContact O-N 3.14Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.47Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.03Å; D44-Q46 PolarHBondContact OD1-N 2.93Å; D44-G47 PolarHBondContact OD1-N 3.28Å; D44-W49 HydrophobicContact CB-CZ3 4.32Å; D44-W49 VanDerWaalsContact OD1-CH2 3.24Å; D44-W49 WeakPolarHBondContact OD1-CH2 3.28Å; D44-W49 VanDerWaalsContact OD1-CZ3 3.3Å; D44-W49 WeakPolarHBondContact OD1-CZ3 3.49Å; D44-R102 IonicContact OD2-CZ 3.65Å; D44-R102 IonicContact OD2-NH1 2.63Å; D44-R102 IonicContact OD2-NH2 3.44Å; D44-R102 PolarHBondContact OD2-NH2 3.13Å
45M88.9Confident94.6Very high125 Ų12542.7 Ų42.762%0.61622%0.217SC*.SBendtrans67.7-3.3-172.1-51-59.6-71.700115.4L28 T43 P212L28-M45 HydrophobicContact CD1-SD 3.83Å; T43-M45 HydrophobicContact CG2-SD 4.46Å; T43-M45 PolarHBondContact OG1-N 3.37Å; M45-P212 HydrophobicContact CG-CB 4.08Å; M45-P212 HydrophobicContact SD-CB 4.47Å
46Q88.9Confident94.9Very high178 Ų17840.5 Ų40.583%0.83222%0.215SC*.SBendtrans-105.3-33.6174.4-58.8179.246.300112D44D44-Q46 PolarHBondContact O-N 2.83Å; D44-Q46 VanDerWaalsContact O-N 3.14Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.47Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.03Å; D44-Q46 PolarHBondContact OD1-N 2.93Å
47G92.4Very high95Very high19 Ų1942.1 Ų42.120%0.19623%0.229CC..  trans-142.7169.6173.300000111.9T43 D44 W49T43-G47 VanDerWaalsContact CA-O 3.3Å; T43-G47 WeakPolarHBondContact CA-O 3.49Å; T43-G47 WeakPolarHBondContact CB-O 3.26Å; T43-G47 PolarHBondContact OG1-O 3.44Å; D44-G47 PolarHBondContact OD1-N 3.28Å; G47-W49 VanDerWaalsContact C-CH2 3.43Å; G47-W49 WeakPolarHBondContact O-CZ3 3.25Å
48V96.3Very high95.1Very high24 Ų2438.3 Ų38.315%0.14521%0.211CC..EExtended strand (participates in β ladder)trans-126.2130.4176.5-171.30000107.6L42 A129 V134 L138L42-V48 CarbonylContact O-C 3.6Å; L42-V48 WeakPolarHBondContact O-CA 3.47Å; V48-A129 HydrophobicContact CB-CB 4Å; V48-A129 HydrophobicContact CG1-CB 3.74Å; V48-A129 WeakPolarHBondContact O-CB 3.48Å; V48-A129 PolarHBondContact O-N 2.92Å; V48-V134 HydrophobicContact CB-CG2 3.9Å; V48-V134 HydrophobicContact CG1-CG2 4.2Å; V48-V134 HydrophobicContact CG2-CG1 4.29Å; V48-V134 HydrophobicContact CG2-CG2 4.06Å; V48-L138 HydrophobicContact CG2-CD1 3.67Å
49W97.5Very high95.1Very high12 Ų1242.6 Ų42.65%0.04523%0.231CC..EExtended strand (participates in β ladder)trans-120.5147.9178.7-59.6-92.2000110.6L41 L42 D44 G47 R102 G105 M107 C126 G127L41-W49 VanDerWaalsContact CA-O 3.31Å; L41-W49 WeakPolarHBondContact CA-O 3.44Å; L42-W49 HydrophobicContact CB-CB 4.48Å; L42-W49 PolarHBondContact N-O 3.03Å; L42-W49 PolarHBondContact O-N 3.05Å; D44-W49 HydrophobicContact CB-CZ3 4.32Å; D44-W49 VanDerWaalsContact OD1-CH2 3.24Å; D44-W49 WeakPolarHBondContact OD1-CH2 3.28Å; D44-W49 VanDerWaalsContact OD1-CZ3 3.3Å; D44-W49 WeakPolarHBondContact OD1-CZ3 3.49Å; G47-W49 VanDerWaalsContact C-CH2 3.43Å; G47-W49 WeakPolarHBondContact O-CZ3 3.25Å; W49-R102 VanDerWaalsContact CH2-CZ 3.49Å; W49-R102 VanDerWaalsContact CH2-NH1 3.34Å; W49-R102 VanDerWaalsContact CZ2-CZ 3.43Å; W49-R102 VanDerWaalsContact CZ2-NH2 3.28Å; W49-G105 PolarHBondContact NE1-O 3.24Å; W49-M107 HydrophobicContact CB-CB 4.15Å; W49-M107 HydrophobicContact CD2-CB 3.79Å; W49-M107 HydrophobicContact CE3-CB 4.36Å; W49-M107 HydrophobicContact CE3-CE 4.25Å; W49-M107 HydrophobicContact CG-CB 3.62Å; W49-M107 HydrophobicContact CZ3-CE 4.16Å; W49-C126 HydrophobicContact CB-CB 3.58Å; W49-C126 VanDerWaalsContact CD1-O 3.32Å; W49-G127 CarbonylContact C-O 3.5Å; W49-G127 WeakPolarHBondContact CA-O 3.5Å; W49-G127 WeakPolarHBondContact CB-O 3.23Å
50E96.7Very high95.2Very high32 Ų3248.4 Ų48.415%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-130.9152.5172.574.7167.917200111.5H39 V40 L41 R52 C126 G127 A129 P130 L133H39-E50 IonicContact CE1-OE2 3.17Å; H39-E50 IonicContact NE2-OE2 3.47Å; H39-E50 PolarHBondContact NE2-OE2 3.07Å; V40-E50 CarbonylContact O-C 3.57Å; V40-E50 VanDerWaalsContact O-CA 3.28Å; V40-E50 WeakPolarHBondContact O-CA 3.1Å; L41-E50 HydrophobicContact CD1-CB 4.28Å; L41-E50 HydrophobicContact CG-CB 4.32Å; E50-R52 IonicContact OE1-NE 3.21Å; E50-R52 IonicContact OE1-NH2 2.82Å; E50-R52 IonicContact OE2-CZ 2.81Å; E50-R52 VanDerWaalsContact OE2-CZ 3.31Å; E50-R52 IonicContact OE2-NE 3.36Å; E50-R52 PolarHBondContact OE2-NE 3.34Å; E50-R52 IonicContact OE2-NH2 2.82Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å; E50-C126 CarbonylContact O-C 3.58Å; E50-C126 VanDerWaalsContact O-CA 3.25Å; E50-C126 WeakPolarHBondContact O-CA 3.36Å; E50-G127 PolarHBondContact N-O 2.86Å; E50-G127 PolarHBondContact O-N 2.87Å; E50-A129 HydrophobicContact CB-CB 4.35Å; E50-A129 HydrophobicContact CG-CB 4.4Å; E50-P130 VanDerWaalsContact CD-CD 3.48Å; E50-P130 WeakPolarHBondContact OE1-CD 3.47Å; E50-P130 WeakPolarHBondContact OE1-CG 3.35Å; E50-L133 HydrophobicContact CB-CD2 4.13Å; E50-L133 HydrophobicContact CG-CD2 4.37Å; E50-L133 WeakPolarHBondContact OE2-CD2 3.08Å
51E97.2Very high95.3Very high12 Ų1249.8 Ų49.86%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-138.9134.9160.4-174.7175.7-125.600110Y38 H39 V40 M53 R61 F124 R125 C126Y38-E51 HydrophobicContact CE2-CB 4.45Å; Y38-E51 HydrophobicContact CE2-CG 4.1Å; Y38-E51 WeakPolarHBondContact CE2-OE2 3.41Å; Y38-E51 PolarHBondContact OH-OE2 2.92Å; H39-E51 WeakPolarHBondContact CA-O 3.38Å; H39-E51 PolarHBondContact CD2-O 3.29Å; V40-E51 PolarHBondContact N-O 3.37Å; V40-E51 PolarHBondContact O-N 3.39Å; E51-M53 HydrophobicContact CG-CG 3.97Å; E51-R61 IonicContact OE1-CZ 3.16Å; E51-R61 IonicContact OE1-NH1 3.27Å; E51-R61 PolarHBondContact OE1-NH1 3.43Å; E51-R61 IonicContact OE1-NH2 3.37Å; E51-R61 PolarHBondContact OE1-NH2 3.11Å; E51-R61 IonicContact OE2-NH1 3.14Å; E51-R61 PolarHBondContact OE2-NH1 3.45Å; E51-F124 WeakPolarHBondContact OE2-CA 3.45Å; E51-R125 VanDerWaalsContact CD-N 3.27Å; E51-R125 WeakPolarHBondContact OE1-CA 3.47Å; E51-R125 PolarHBondContact OE1-N 2.92Å; E51-R125 PolarHBondContact OE2-N 3.22Å; E51-C126 HydrophobicContact CB-CB 4.36Å
52R95.8Very high95.2Very high106 Ų10650.3 Ų50.340%0.427%0.268SS..EExtended strand (participates in β ladder)trans-121132.8173.5-57.6173.6-167.1-140.4-4.3107.9D9 Y38 H39 E50D9-R52 IonicContact OD1-CZ 3.31Å; D9-R52 IonicContact OD1-NH1 3.76Å; D9-R52 PolarHBondContact OD1-NH1 3.06Å; D9-R52 IonicContact OD1-NH2 3.29Å; D9-R52 IonicContact OD2-CZ 2.91Å; D9-R52 IonicContact OD2-NH1 3.95Å; D9-R52 PolarHBondContact OD2-NH1 3.45Å; D9-R52 VanDerWaalsContact OD2-NH1 3.16Å; D9-R52 IonicContact OD2-NH2 2.83Å; Y38-R52 WeakPolarHBondContact O-CA 3.39Å; H39-R52 VanDerWaalsContact CD2-CG 3.5Å; H39-R52 WeakPolarHBondContact CD2-CG 3.32Å; H39-R52 VanDerWaalsContact CE1-CZ 3.47Å; H39-R52 PolarHBondContact CE1-NE 2.89Å; H39-R52 PolarHBondContact CE1-NH2 3.45Å; H39-R52 PolarHBondContact NE2-NE 3.4Å; E50-R52 IonicContact OE1-NE 3.21Å; E50-R52 IonicContact OE1-NH2 2.82Å; E50-R52 IonicContact OE2-CZ 2.81Å; E50-R52 VanDerWaalsContact OE2-CZ 3.31Å; E50-R52 IonicContact OE2-NE 3.36Å; E50-R52 PolarHBondContact OE2-NE 3.34Å; E50-R52 IonicContact OE2-NH2 2.82Å; E50-R52 PolarHBondContact OE2-NH2 3.2Å
53M96.6Very high95.2Very high18 Ų1855.9 Ų55.99%0.08929%0.294CS..EExtended strand (participates in β ladder)trans-137.9133.5179.9-70.1-74.6-76.900110.2E37 Y38 E51 A57 I58 R61 W122E37-M53 CarbonylContact C-O 3.57Å; E37-M53 WeakPolarHBondContact CA-O 3.42Å; E37-M53 WeakPolarHBondContact CB-O 3.44Å; Y38-M53 HydrophobicContact CD1-CB 3.79Å; Y38-M53 HydrophobicContact CD1-CG 4.39Å; Y38-M53 HydrophobicContact CD2-CB 4.38Å; Y38-M53 HydrophobicContact CE1-CB 3.49Å; Y38-M53 VanDerWaalsContact CE1-CB 3.49Å; Y38-M53 HydrophobicContact CE1-CG 3.65Å; Y38-M53 HydrophobicContact CE2-CB 4.08Å; Y38-M53 HydrophobicContact CE2-CG 3.8Å; Y38-M53 HydrophobicContact CG-CB 4.28Å; Y38-M53 PolarHBondContact N-O 2.74Å; Y38-M53 PolarHBondContact O-N 2.59Å; Y38-M53 WeakPolarHBondContact OH-CG 3.5Å; E51-M53 HydrophobicContact CG-CG 3.97Å; M53-A57 HydrophobicContact CE-CB 3.6Å; M53-A57 VanDerWaalsContact CE-O 3.27Å; M53-A57 WeakPolarHBondContact CE-O 3.49Å; M53-A57 HydrophobicContact SD-CB 3.67Å; M53-I58 HydrophobicContact CB-CD1 4.27Å; M53-I58 HydrophobicContact CB-CG1 3.85Å; M53-I58 HydrophobicContact CE-CG1 4.18Å; M53-R61 HydrophobicContact CE-CB 4.29Å; M53-R61 PolarHBondContact SD-NH2 2.99Å; M53-R61 VanDerWaalsContact SD-NH2 3.39Å; M53-W122 HydrophobicContact CE-CH2 4.14Å; M53-W122 HydrophobicContact CE-CZ2 4.04Å
54D96Very high95.3Very high91 Ų9159.3 Ų59.349%0.48731%0.31SS..  trans-99.9175.6170.264.921000110.9A36 A56 A57 I58A36-D54 CarbonylContact O-C 3.44Å; D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 2.92Å; D54-A56 PolarHBondContact OD1-N 3.3Å; D54-A57 PolarHBondContact O-N 2.99Å; D54-A57 VanDerWaalsContact OD1-CB 3.3Å; D54-A57 WeakPolarHBondContact OD1-CB 3.46Å; D54-A57 PolarHBondContact OD1-N 3.04Å; D54-I58 WeakPolarHBondContact O-CB 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.5Å; D54-I58 PolarHBondContact O-N 2.89Å
55A96.1Very high95.5Very high39 Ų3959.8 Ų59.832%0.32231%0.312SS..Hα-helixtrans-58.4-38-176.400000113A36 I58 E59 V73A36-A55 HydrophobicContact CB-CB 3.99Å; A36-A55 WeakPolarHBondContact O-CA 3Å; A36-A55 WeakPolarHBondContact O-CB 3.32Å; A36-A55 PolarHBondContact O-N 3.39Å; A55-I58 PolarHBondContact O-N 3.34Å; A55-E59 WeakPolarHBondContact O-CB 3.46Å; A55-E59 PolarHBondContact O-N 3.35Å; A55-V73 HydrophobicContact CB-CG2 4.37Å; A55-V73 WeakPolarHBondContact O-CG2 3.38Å
56A96.7Very high95.9Very high68 Ų6854.3 Ų54.356%0.56229%0.285SS*.Hα-helixtrans-69.5-44.4-178.700000111.5D54 I58 E59 H60D54-A56 VanDerWaalsContact C-N 3.27Å; D54-A56 PolarHBondContact O-N 2.92Å; D54-A56 PolarHBondContact OD1-N 3.3Å; A56-I58 VanDerWaalsContact C-N 3.3Å; A56-I58 PolarHBondContact O-N 3.19Å; A56-E59 PolarHBondContact O-N 3.08Å; A56-H60 WeakPolarHBondContact O-CB 3.43Å; A56-H60 PolarHBondContact O-N 3.26Å
57A96.9Very high96Very high36 Ų3656.2 Ų56.230%0.29828%0.284SS..Hα-helixtrans-64.5-37.9175.100000111.3M53 D54 R61M53-A57 HydrophobicContact CE-CB 3.6Å; M53-A57 VanDerWaalsContact CE-O 3.27Å; M53-A57 WeakPolarHBondContact CE-O 3.49Å; M53-A57 HydrophobicContact SD-CB 3.67Å; D54-A57 PolarHBondContact O-N 2.99Å; D54-A57 VanDerWaalsContact OD1-CB 3.3Å; D54-A57 WeakPolarHBondContact OD1-CB 3.46Å; D54-A57 PolarHBondContact OD1-N 3.04Å; A57-R61 PolarHBondContact O-N 2.93Å
58I97.3Very high95.8Very high0 Ų066.6 Ų66.60%032%0.318CS..Hα-helixtrans-63.2-49176.6-69.1171.5000110.6A36 Y38 M53 D54 A55 A56 H60 R61 A62 V73 F76 F77 W122A36-I58 WeakPolarHBondContact O-CD1 3.48Å; Y38-I58 HydrophobicContact CD1-CD1 3.86Å; Y38-I58 HydrophobicContact CD1-CG1 4.34Å; Y38-I58 HydrophobicContact CE1-CD1 4.17Å; Y38-I58 HydrophobicContact CE1-CG1 4.14Å; M53-I58 HydrophobicContact CB-CD1 4.27Å; M53-I58 HydrophobicContact CB-CG1 3.85Å; M53-I58 HydrophobicContact CE-CG1 4.18Å; D54-I58 WeakPolarHBondContact O-CB 3.45Å; D54-I58 WeakPolarHBondContact O-CG1 3.5Å; D54-I58 PolarHBondContact O-N 2.89Å; A55-I58 PolarHBondContact O-N 3.34Å; A56-I58 VanDerWaalsContact C-N 3.3Å; A56-I58 PolarHBondContact O-N 3.19Å; I58-H60 PolarHBondContact O-N 2.93Å; I58-R61 PolarHBondContact O-N 3.23Å; I58-A62 WeakPolarHBondContact O-CB 3.3Å; I58-A62 PolarHBondContact O-N 3.16Å; I58-V73 HydrophobicContact CB-CG2 4.31Å; I58-V73 HydrophobicContact CG2-CG2 4.02Å; I58-F76 HydrophobicContact CG2-CD1 4.18Å; I58-F76 HydrophobicContact CG2-CE1 4.48Å; I58-F77 HydrophobicContact CD1-CD2 3.65Å; I58-F77 HydrophobicContact CD1-CE2 3.79Å; I58-F77 HydrophobicContact CG2-CD2 4.47Å; I58-W122 HydrophobicContact CB-CH2 4.33Å; I58-W122 HydrophobicContact CG1-CH2 4.37Å; I58-W122 HydrophobicContact CG2-CH2 4.05Å
59E96Very high95.4Very high93 Ų9367.2 Ų67.244%0.43532%0.32SS..Hα-helixtrans-59.7-46.2178.4-178172.2-157.800111.8A55 A56 R61 A62 Q63 V73A55-E59 WeakPolarHBondContact O-CB 3.46Å; A55-E59 PolarHBondContact O-N 3.35Å; A56-E59 PolarHBondContact O-N 3.08Å; E59-R61 PolarHBondContact O-N 2.95Å; E59-A62 WeakPolarHBondContact O-CB 3.29Å; E59-A62 PolarHBondContact O-N 3.38Å; E59-Q63 WeakPolarHBondContact O-CG 3.28Å; E59-Q63 PolarHBondContact O-N 2.91Å; E59-V73 HydrophobicContact CB-CB 4.39Å; E59-V73 HydrophobicContact CB-CG2 4.16Å
60H96.4Very high94.9Very high126 Ų12678.6 Ų78.658%0.58336%0.363SS*.Hα-helixtrans-58.5-49.4178178.5-82.5000111.8A56 I58 A62 Q63 E64A56-H60 WeakPolarHBondContact O-CB 3.43Å; A56-H60 PolarHBondContact O-N 3.26Å; I58-H60 PolarHBondContact O-N 2.93Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3Å; H60-Q63 PolarHBondContact O-N 3.11Å; H60-E64 PolarHBondContact O-N 3.14Å
61R97.5Very high94.5Very high28 Ų2879.4 Ų79.411%0.10638%0.375CS..Hα-helixtrans-69.4-33.8179.9-172.1-179.9-59.5171.82.2112.1E51 M53 A57 I58 E59 Q63 E64 L65 W122 E123E51-R61 IonicContact OE1-CZ 3.16Å; E51-R61 IonicContact OE1-NH1 3.27Å; E51-R61 PolarHBondContact OE1-NH1 3.43Å; E51-R61 IonicContact OE1-NH2 3.37Å; E51-R61 PolarHBondContact OE1-NH2 3.11Å; E51-R61 IonicContact OE2-NH1 3.14Å; E51-R61 PolarHBondContact OE2-NH1 3.45Å; M53-R61 HydrophobicContact CE-CB 4.29Å; M53-R61 PolarHBondContact SD-NH2 2.99Å; M53-R61 VanDerWaalsContact SD-NH2 3.39Å; A57-R61 PolarHBondContact O-N 2.93Å; I58-R61 PolarHBondContact O-N 3.23Å; E59-R61 PolarHBondContact O-N 2.95Å; R61-Q63 VanDerWaalsContact C-N 3.3Å; R61-Q63 PolarHBondContact O-N 3.44Å; R61-E64 WeakPolarHBondContact O-CB 3.35Å; R61-E64 PolarHBondContact O-N 2.88Å; R61-L65 HydrophobicContact CG-CD1 3.77Å; R61-L65 HydrophobicContact CG-CG 4.14Å; R61-L65 WeakPolarHBondContact O-CG 3.3Å; R61-L65 PolarHBondContact O-N 3.37Å; R61-W122 HydrophobicContact CB-CH2 3.69Å; R61-W122 HydrophobicContact CB-CZ3 3.88Å; R61-W122 HydrophobicContact CG-CE3 4.45Å; R61-W122 HydrophobicContact CG-CH2 3.89Å; R61-W122 HydrophobicContact CG-CZ2 4.46Å; R61-W122 HydrophobicContact CG-CZ3 3.89Å; R61-E123 PolarHBondContact NH1-O 3.44Å
62A95.4Very high94.2Very high11 Ų1183.4 Ų83.49%0.09140%0.401CS..Hα-helixtrans-59.2-44.417400000110.8I58 E59 H60 N66 F76 W122I58-A62 WeakPolarHBondContact O-CB 3.3Å; I58-A62 PolarHBondContact O-N 3.16Å; E59-A62 WeakPolarHBondContact O-CB 3.29Å; E59-A62 PolarHBondContact O-N 3.38Å; H60-A62 VanDerWaalsContact C-N 3.35Å; H60-A62 PolarHBondContact O-N 3Å; A62-N66 WeakPolarHBondContact O-CA 3.03Å; A62-N66 VanDerWaalsContact O-CB 3.28Å; A62-N66 WeakPolarHBondContact O-CB 3.24Å; A62-N66 PolarHBondContact O-N 3.12Å; A62-N66 PolarHBondContact O-ND2 2.93Å; A62-F76 HydrophobicContact CB-CD1 3.88Å; A62-F76 HydrophobicContact CB-CD2 3.82Å; A62-F76 HydrophobicContact CB-CE1 3.62Å; A62-F76 HydrophobicContact CB-CE2 3.54Å; A62-F76 HydrophobicContact CB-CG 3.99Å; A62-F76 HydrophobicContact CB-CZ 3.44Å; A62-F76 VanDerWaalsContact CB-CZ 3.44Å; A62-W122 HydrophobicContact CB-CZ3 4.3Å
63Q94.8Very high94.2Very high117 Ų11779.8 Ų79.855%0.54739%0.39SS..Hα-helixtrans-68.1-37.2176-67.7176.39.400112.6E59 H60 R61 R67E59-Q63 WeakPolarHBondContact O-CG 3.28Å; E59-Q63 PolarHBondContact O-N 2.91Å; H60-Q63 PolarHBondContact O-N 3.11Å; R61-Q63 VanDerWaalsContact C-N 3.3Å; R61-Q63 PolarHBondContact O-N 3.44Å; Q63-R67 WeakPolarHBondContact O-CG 3.16Å
64E96.5Very high94Very high77 Ų7783 Ų8336%0.3641%0.405SS..Hα-helixtrans-59.1-50.5175.5-175.7-168.9144.300111.4H60 R61 R125H60-E64 PolarHBondContact O-N 3.14Å; R61-E64 WeakPolarHBondContact O-CB 3.35Å; R61-E64 PolarHBondContact O-N 2.88Å; E64-R125 IonicContact OE1-CZ 3.96Å; E64-R125 IonicContact OE1-NH1 3.68Å; E64-R125 PolarHBondContact OE1-NH1 3.39Å; E64-R125 IonicContact OE1-NH2 3.93Å; E64-R125 PolarHBondContact OE1-NH2 3.04Å; E64-R125 IonicContact OE2-NH1 3.88Å; E64-R125 PolarHBondContact OE2-NH1 3.14Å
65L96.5Very high93.9Very high43 Ų4381.1 Ų81.123%0.22540%0.402CS..Hα-helixtrans-88.3-30.1-171.5-61.4179.2000113.5R61 H121 W122 E123R61-L65 HydrophobicContact CG-CD1 3.77Å; R61-L65 HydrophobicContact CG-CG 4.14Å; R61-L65 WeakPolarHBondContact O-CG 3.3Å; R61-L65 PolarHBondContact O-N 3.37Å; L65-H121 HydrophobicContact CB-CB 4.48Å; L65-W122 HydrophobicContact CD1-CE3 4.42Å; L65-E123 HydrophobicContact CD1-CB 4.21Å; L65-E123 HydrophobicContact CD1-CG 4Å; L65-E123 HydrophobicContact CD2-CG 4.47Å
66N95.8Very high93.9Very high10 Ų1079.6 Ų79.65%0.05339%0.388CS..  trans-12455.2-172.1-54.1-82.4000111.6A62 R68 L69 F76 H121A62-N66 WeakPolarHBondContact O-CA 3.03Å; A62-N66 VanDerWaalsContact O-CB 3.28Å; A62-N66 WeakPolarHBondContact O-CB 3.24Å; A62-N66 PolarHBondContact O-N 3.12Å; A62-N66 PolarHBondContact O-ND2 2.93Å; N66-R68 PolarHBondContact O-N 3.03Å; N66-L69 HydrophobicContact CB-CB 3.84Å; N66-L69 HydrophobicContact CB-CD2 4.42Å; N66-L69 WeakPolarHBondContact O-CB 3.48Å; N66-L69 PolarHBondContact O-N 3.03Å; N66-F76 HydrophobicContact CB-CE2 4.42Å; N66-H121 PolarHBondContact ND2-O 2.9Å; N66-H121 PolarHBondContact OD1-N 3.37Å; N66-H121 PolarHBondContact OD1-O 3.32Å
67R91.4Very high93.9Very high218 Ų21876.7 Ų76.782%0.82336%0.363SS*.THydrogen-bonded Turntrans-52.7-22.5-174.2-63.8-177.3-178.1-172.1-1.4116.3Q63Q63-R67 WeakPolarHBondContact O-CG 3.16Å
68R87.9Confident93.8Very high238 Ų23877 Ų7790%0.89836%0.363SS*.THydrogen-bonded Turntrans-93.4-16.8-179.9-62.6-176.9-177.6-174.70.9113.1N66N66-R68 PolarHBondContact O-N 3.03Å
69L88.1Confident93.7Very high37 Ų3778.3 Ų78.319%0.19437%0.369CS..  trans-83.7122.7-177.6-164.487000109N66 A71 F76 L115 L118 F120N66-L69 HydrophobicContact CB-CB 3.84Å; N66-L69 HydrophobicContact CB-CD2 4.42Å; N66-L69 WeakPolarHBondContact O-CB 3.48Å; N66-L69 PolarHBondContact O-N 3.03Å; L69-A71 HydrophobicContact CD2-CB 4.32Å; L69-F76 HydrophobicContact CD2-CD2 3.45Å; L69-F76 VanDerWaalsContact CD2-CD2 3.45Å; L69-F76 HydrophobicContact CD2-CE2 3.69Å; L69-L115 HydrophobicContact CD1-CD2 4.04Å; L69-L115 HydrophobicContact CD2-CD2 4.24Å; L69-L118 HydrophobicContact CD1-CD1 4.18Å; L69-F120 HydrophobicContact CD2-CD2 4.37Å
70R87.7Confident93.7Very high251 Ų25173.9 Ų73.995%0.94735%0.349SS*.  trans-112.697.4171.8-65.5-167.4-179-172.31.3108.3
71A87.7Confident93.6Very high49 Ų4972.3 Ų72.341%0.40534%0.337SS..  trans-134.9154.317800000109.1L69 A75 F76L69-A71 HydrophobicContact CD2-CB 4.32Å; A71-A75 HydrophobicContact CB-CB 4.45Å; A71-F76 HydrophobicContact CB-CB 4.44Å
72T92.1Very high93.4Very high96 Ų9676.7 Ų76.759%0.58936%0.359SS*.  trans-65.2151.8166.762.30000109.1Q74 A75 F76T72-Q74 PolarHBondContact O-N 3.09Å; T72-Q74 VanDerWaalsContact O-N 3.11Å; T72-A75 PolarHBondContact O-N 2.98Å; T72-A75 VanDerWaalsContact O-N 3.14Å; T72-A75 WeakPolarHBondContact OG1-CB 3.41Å; T72-A75 PolarHBondContact OG1-N 2.99Å; T72-F76 WeakPolarHBondContact O-CB 3.48Å; T72-F76 PolarHBondContact O-N 2.99Å
73V93.9Very high93.4Very high30 Ų3076.8 Ų76.818%0.18236%0.36CS..Hα-helixtrans-53.8-34.3177.167.20000112A36 A55 I58 E59 F77A36-V73 HydrophobicContact CB-CG2 4.29Å; A55-V73 HydrophobicContact CB-CG2 4.37Å; A55-V73 WeakPolarHBondContact O-CG2 3.38Å; I58-V73 HydrophobicContact CB-CG2 4.31Å; I58-V73 HydrophobicContact CG2-CG2 4.02Å; E59-V73 HydrophobicContact CB-CB 4.39Å; E59-V73 HydrophobicContact CB-CG2 4.16Å; V73-F77 WeakPolarHBondContact O-CB 3.26Å; V73-F77 PolarHBondContact O-N 3.44Å
74Q94.3Very high93.4Very high84 Ų8471.2 Ų71.239%0.39333%0.334SS..Hα-helixtrans-67.6-48.7178.1-70.2-64.2-20.200112.9N35 A36 T72 F76 F77 S78N35-Q74 VanDerWaalsContact OD1-CD 3.31Å; N35-Q74 PolarHBondContact OD1-NE2 2.96Å; N35-Q74 PolarHBondContact OD1-OE1 3.41Å; A36-Q74 VanDerWaalsContact CB-NE2 3.31Å; T72-Q74 PolarHBondContact O-N 3.09Å; T72-Q74 VanDerWaalsContact O-N 3.11Å; Q74-F76 VanDerWaalsContact C-N 3.33Å; Q74-F77 PolarHBondContact O-N 3.4Å; Q74-S78 PolarHBondContact O-N 3.46Å
75A93.3Very high93.2Very high53 Ų5371.2 Ų71.244%0.43833%0.334SS..Hα-helixtrans-65.1-40.9177.500000111.2A71 T72 H79A71-A75 HydrophobicContact CB-CB 4.45Å; T72-A75 PolarHBondContact O-N 2.98Å; T72-A75 VanDerWaalsContact O-N 3.14Å; T72-A75 WeakPolarHBondContact OG1-CB 3.41Å; T72-A75 PolarHBondContact OG1-N 2.99Å; A75-H79 PolarHBondContact O-N 3.18Å
76F95.1Very high92.9Very high7 Ų771.4 Ų71.43%0.03134%0.338CS..Hα-helixtrans-58.7-48.6173.7-175.3-84.5000111.5I58 A62 N66 L69 A71 T72 Q74 H79 L80 F120 W122I58-F76 HydrophobicContact CG2-CD1 4.18Å; I58-F76 HydrophobicContact CG2-CE1 4.48Å; A62-F76 HydrophobicContact CB-CD1 3.88Å; A62-F76 HydrophobicContact CB-CD2 3.82Å; A62-F76 HydrophobicContact CB-CE1 3.62Å; A62-F76 HydrophobicContact CB-CE2 3.54Å; A62-F76 HydrophobicContact CB-CG 3.99Å; A62-F76 HydrophobicContact CB-CZ 3.44Å; A62-F76 VanDerWaalsContact CB-CZ 3.44Å; N66-F76 HydrophobicContact CB-CE2 4.42Å; L69-F76 HydrophobicContact CD2-CD2 3.45Å; L69-F76 VanDerWaalsContact CD2-CD2 3.45Å; L69-F76 HydrophobicContact CD2-CE2 3.69Å; A71-F76 HydrophobicContact CB-CB 4.44Å; T72-F76 WeakPolarHBondContact O-CB 3.48Å; T72-F76 PolarHBondContact O-N 2.99Å; Q74-F76 VanDerWaalsContact C-N 3.33Å; F76-H79 PolarHBondContact O-N 3.27Å; F76-L80 PolarHBondContact O-N 3.26Å; F76-F120 HydrophobicContact CD1-CE2 4.39Å; F76-F120 HydrophobicContact CD1-CZ 4.36Å; F76-F120 AromaticContact CD2-CE2 3.67Å; F76-F120 HydrophobicContact CD2-CE2 3.67Å; F76-F120 HydrophobicContact CD2-CZ 4.38Å; F76-F120 AromaticContact CE1-CE2 3.99Å; F76-F120 HydrophobicContact CE1-CE2 3.99Å; F76-F120 AromaticContact CE1-CZ 3.72Å; F76-F120 HydrophobicContact CE1-CZ 3.72Å; F76-F120 HydrophobicContact CE2-CD2 4.03Å; F76-F120 AromaticContact CE2-CE2 3.2Å; F76-F120 HydrophobicContact CE2-CE2 3.2Å; F76-F120 AromaticContact CE2-CZ 3.76Å; F76-F120 HydrophobicContact CE2-CZ 3.76Å; F76-F120 HydrophobicContact CG-CE2 4.24Å; F76-F120 HydrophobicContact CZ-CD2 4.41Å; F76-F120 HydrophobicContact CZ-CE1 4.42Å; F76-F120 AromaticContact CZ-CE2 3.37Å; F76-F120 HydrophobicContact CZ-CE2 3.37Å; F76-F120 AromaticContact CZ-CZ 3.37Å; F76-F120 HydrophobicContact CZ-CZ 3.37Å; F76-W122 AromaticContact CE1-CE3 3.64Å; F76-W122 HydrophobicContact CE1-CE3 3.64Å; F76-W122 HydrophobicContact CE1-CH2 4.48Å; F76-W122 AromaticContact CE1-CZ3 3.56Å; F76-W122 HydrophobicContact CE1-CZ3 3.56Å; F76-W122 AromaticContact CZ-CE3 3.76Å; F76-W122 HydrophobicContact CZ-CE3 3.76Å; F76-W122 AromaticContact CZ-CZ3 3.92Å; F76-W122 HydrophobicContact CZ-CZ3 3.92Å
77F96.5Very high92.8Very high7 Ų773 Ų733%0.03134%0.343CS..Hα-helixtrans-69.2-35.1-176.3-176.5-104000112.9F33 G34 A36 E37 Y38 I58 V73 Q74 H79 L80 R81F33-F77 HydrophobicContact CB-CZ 4.2Å; F33-F77 HydrophobicContact CD1-CE2 4.13Å; F33-F77 AromaticContact CD1-CZ 3.82Å; F33-F77 HydrophobicContact CD1-CZ 3.82Å; G34-F77 WeakPolarHBondContact O-CE1 3.42Å; A36-F77 VanDerWaalsContact CA-CD1 3.44Å; A36-F77 HydrophobicContact CB-CB 4.34Å; A36-F77 HydrophobicContact CB-CD1 4.36Å; A36-F77 HydrophobicContact CB-CG 4.31Å; A36-F77 VanDerWaalsContact N-CD1 3.34Å; E37-F77 WeakPolarHBondContact O-CZ 3.38Å; Y38-F77 AromaticContact CD1-CE2 3.95Å; Y38-F77 HydrophobicContact CD1-CE2 3.95Å; I58-F77 HydrophobicContact CD1-CD2 3.65Å; I58-F77 HydrophobicContact CD1-CE2 3.79Å; I58-F77 HydrophobicContact CG2-CD2 4.47Å; V73-F77 WeakPolarHBondContact O-CB 3.26Å; V73-F77 PolarHBondContact O-N 3.44Å; Q74-F77 PolarHBondContact O-N 3.4Å; F77-H79 VanDerWaalsContact C-N 3.32Å; F77-H79 PolarHBondContact O-N 3.13Å; F77-L80 HydrophobicContact CD2-CD2 4.11Å; F77-L80 HydrophobicContact CE2-CD2 4.38Å; F77-L80 WeakPolarHBondContact O-CB 3.49Å; F77-L80 PolarHBondContact O-N 2.92Å; F77-R81 PolarHBondContact O-N 3.1Å
78S95.4Very high92.8Very high43 Ų4362.6 Ų62.630%0.30130%0.304SS..Hα-helixtrans-57.1-48.7173.6-164.50000110.8Q74 R81 E82Q74-S78 PolarHBondContact O-N 3.46Å; S78-R81 PolarHBondContact O-N 3.44Å; S78-E82 WeakPolarHBondContact O-CG 3.43Å; S78-E82 PolarHBondContact O-N 2.69Å; S78-E82 PolarHBondContact OG-OE1 3.27Å
79H95.4Very high92.7Very high27 Ų2753.5 Ų53.513%0.12528%0.277CS..Hα-helixtrans-64.2-41.8176.8-174.673.4000112.3A75 F76 F77 R81 E82 A83 S113 E114 L115 F120A75-H79 PolarHBondContact O-N 3.18Å; F76-H79 PolarHBondContact O-N 3.27Å; F77-H79 VanDerWaalsContact C-N 3.32Å; F77-H79 PolarHBondContact O-N 3.13Å; H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.48Å; H79-E82 PolarHBondContact O-N 3.11Å; H79-A83 WeakPolarHBondContact O-CB 3.42Å; H79-A83 PolarHBondContact O-N 2.87Å; H79-S113 PolarHBondContact NE2-OG 3Å; H79-E114 PolarHBondContact CE1-O 3.37Å; H79-E114 PolarHBondContact NE2-O 3.04Å; H79-L115 HydrophobicContact CB-CD1 4.32Å; H79-L115 HydrophobicContact CB-CD2 4.31Å; H79-F120 AromaticContact CD2-CD1 3.78Å; H79-F120 AromaticContact CD2-CD2 3.46Å; H79-F120 VanDerWaalsContact CD2-CD2 3.46Å; H79-F120 WeakPolarHBondContact CD2-CD2 3.32Å; H79-F120 AromaticContact CD2-CE1 3.92Å; H79-F120 AromaticContact CD2-CE2 3.59Å; H79-F120 AromaticContact CD2-CG 3.55Å; H79-F120 AromaticContact CD2-CZ 3.83Å; H79-F120 AromaticContact NE2-CG 3.77Å
80L95.8Very high92.3Very high0 Ų053.8 Ų53.80%029%0.289CS..Hα-helixtrans-56-48175.3174.757.9000111.1Y38 F76 F77 A83 A84 L111 F120 W122 F124Y38-L80 HydrophobicContact CE1-CD2 4.32Å; F76-L80 PolarHBondContact O-N 3.26Å; F77-L80 HydrophobicContact CD2-CD2 4.11Å; F77-L80 HydrophobicContact CE2-CD2 4.38Å; F77-L80 WeakPolarHBondContact O-CB 3.49Å; F77-L80 PolarHBondContact O-N 2.92Å; L80-A83 PolarHBondContact O-N 2.72Å; L80-A84 HydrophobicContact CD1-CB 4.26Å; L80-A84 WeakPolarHBondContact O-CB 3.47Å; L80-A84 PolarHBondContact O-N 2.97Å; L80-L111 HydrophobicContact CD1-CD2 3.82Å; L80-F120 HydrophobicContact CB-CZ 4.08Å; L80-F120 HydrophobicContact CD1-CE1 4.27Å; L80-F120 HydrophobicContact CD1-CZ 4.47Å; L80-W122 HydrophobicContact CD1-CB 3.69Å; L80-W122 HydrophobicContact CD1-CD2 3.96Å; L80-W122 HydrophobicContact CD1-CG 3.41Å; L80-W122 VanDerWaalsContact CD1-CG 3.41Å; L80-W122 HydrophobicContact CD2-CD2 3.82Å; L80-W122 HydrophobicContact CD2-CE3 4.35Å; L80-W122 HydrophobicContact CD2-CG 4.15Å; L80-W122 HydrophobicContact CD2-CH2 4.48Å; L80-W122 HydrophobicContact CD2-CZ2 4Å; L80-W122 HydrophobicContact CG-CG 4.44Å; L80-F124 HydrophobicContact CD1-CZ 4.14Å
81R94.9Very high91.4Very high92 Ų9243.5 Ų43.535%0.34726%0.261SS..Hα-helixtrans-62-49.2178.7-178.7-179.563.7172.40.8111.1F33 F77 S78 H79 A83 A84 E85F33-R81 HydrophobicContact CB-CG 3.88Å; F33-R81 HydrophobicContact CD1-CB 4.17Å; F33-R81 HydrophobicContact CD1-CG 4.11Å; F33-R81 HydrophobicContact CD2-CG 4.41Å; F33-R81 HydrophobicContact CG-CB 4.46Å; F33-R81 HydrophobicContact CG-CG 3.9Å; F77-R81 PolarHBondContact O-N 3.1Å; S78-R81 PolarHBondContact O-N 3.44Å; H79-R81 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact O-N 3.48Å; R81-A83 VanDerWaalsContact C-N 3.25Å; R81-A83 PolarHBondContact O-N 3.1Å; R81-A84 PolarHBondContact O-N 3.37Å; R81-E85 WeakPolarHBondContact CD-OE2 3.38Å; R81-E85 HydrophobicContact CG-CB 4.28Å; R81-E85 WeakPolarHBondContact CG-OE2 3.35Å; R81-E85 WeakPolarHBondContact O-CB 3.26Å; R81-E85 PolarHBondContact O-N 3.08Å
82E93.8Very high90.3Very high120 Ų12044.6 Ų44.656%0.56128%0.276SS*.Hα-helixtrans-57-39178.5-73.6165-146.600112.4S78 H79 P86S78-E82 WeakPolarHBondContact O-CG 3.43Å; S78-E82 PolarHBondContact O-N 2.69Å; S78-E82 PolarHBondContact OG-OE1 3.27Å; H79-E82 PolarHBondContact O-N 3.11Å; E82-P86 VanDerWaalsContact O-CD 3.29Å; E82-P86 WeakPolarHBondContact O-CD 3.39Å; E82-P86 WeakPolarHBondContact O-CG 3.22Å
83A94.1Very high89Confident13 Ų1341.9 Ų41.911%0.10727%0.267CS..Hα-helixtrans-80.6-33.3179.400000113.8H79 L80 R81 A96 L111H79-A83 WeakPolarHBondContact O-CB 3.42Å; H79-A83 PolarHBondContact O-N 2.87Å; L80-A83 PolarHBondContact O-N 2.72Å; R81-A83 VanDerWaalsContact C-N 3.25Å; R81-A83 PolarHBondContact O-N 3.1Å; A83-A96 HydrophobicContact CB-CB 4.09Å; A83-L111 HydrophobicContact CB-CD1 4.49Å; A83-L111 HydrophobicContact CB-CD2 3.94Å
84A94.5Very high87.7Confident0 Ų042.9 Ų42.90%028%0.284CS..Hα-helixtrans-95.2-38.1-172.100000114.2F33 L80 R81 P86 W87 L88 M98 L111 F124F33-A84 HydrophobicContact CE1-CB 4.48Å; F33-A84 HydrophobicContact CZ-CB 4.1Å; L80-A84 HydrophobicContact CD1-CB 4.26Å; L80-A84 WeakPolarHBondContact O-CB 3.47Å; L80-A84 PolarHBondContact O-N 2.97Å; R81-A84 PolarHBondContact O-N 3.37Å; A84-P86 VanDerWaalsContact C-CD 3.47Å; A84-W87 WeakPolarHBondContact O-CB 3.47Å; A84-W87 PolarHBondContact O-N 3Å; A84-W87 VanDerWaalsContact O-N 3.12Å; A84-L88 PolarHBondContact O-N 3.02Å; A84-L88 VanDerWaalsContact O-N 3.16Å; A84-M98 HydrophobicContact CB-CE 4.45Å; A84-L111 HydrophobicContact CB-CD2 3.9Å; A84-F124 HydrophobicContact CB-CE2 3.88Å; A84-F124 HydrophobicContact CB-CZ 3.57Å
85E92.3Very high87Confident78 Ų7848.6 Ų48.636%0.36431%0.311SS..Hα-helixtrans-59.3-38.9-173.8-170.9171.4-17400113.4F33 R81 W87 L88 S89F33-E85 HydrophobicContact CD2-CB 4.3Å; F33-E85 HydrophobicContact CD2-CG 4.22Å; F33-E85 HydrophobicContact CE2-CB 4.05Å; F33-E85 HydrophobicContact CE2-CG 4.24Å; R81-E85 WeakPolarHBondContact CD-OE2 3.38Å; R81-E85 HydrophobicContact CG-CB 4.28Å; R81-E85 WeakPolarHBondContact CG-OE2 3.35Å; R81-E85 WeakPolarHBondContact O-CB 3.26Å; R81-E85 PolarHBondContact O-N 3.08Å; E85-W87 VanDerWaalsContact C-N 3.3Å; E85-W87 PolarHBondContact O-N 2.86Å; E85-L88 PolarHBondContact O-N 2.87Å; E85-S89 WeakPolarHBondContact O-CB 3.33Å; E85-S89 PolarHBondContact O-N 3.42Å; E85-S89 PolarHBondContact O-OG 3.46Å; E85-S89 VanDerWaalsContact O-OG 3.08Å
86P91.9Very high86.8Confident47 Ų4746.4 Ų46.431%0.30529%0.293SS..Hα-helixtrans-56.1-45174.3-26.636000112.3E82 A84 L88 G91E82-P86 VanDerWaalsContact O-CD 3.29Å; E82-P86 WeakPolarHBondContact O-CD 3.39Å; E82-P86 WeakPolarHBondContact O-CG 3.22Å; A84-P86 VanDerWaalsContact C-CD 3.47Å; P86-L88 PolarHBondContact O-N 3.32Å; P86-G91 CarbonylContact O-C 3.55Å; P86-G91 WeakPolarHBondContact O-CA 3.43Å; P86-G91 PolarHBondContact O-N 2.63Å
87W92.1Very high86.6Confident42 Ų4252.6 Ų52.616%0.15932%0.322CS..Hα-helixtrans-66.3-34.8179.5-74100.4000113.4V20 I22 A84 E85 G93 A96 M98V20-W87 VanDerWaalsContact CG1-O 3.23Å; V20-W87 WeakPolarHBondContact CG1-O 3.39Å; I22-W87 HydrophobicContact CG1-CE3 4.14Å; A84-W87 WeakPolarHBondContact O-CB 3.47Å; A84-W87 PolarHBondContact O-N 3Å; A84-W87 VanDerWaalsContact O-N 3.12Å; E85-W87 VanDerWaalsContact C-N 3.3Å; E85-W87 PolarHBondContact O-N 2.86Å; W87-G93 VanDerWaalsContact CE2-CA 3.44Å; W87-G93 VanDerWaalsContact CZ2-CA 3.42Å; W87-A96 WeakPolarHBondContact CZ2-O 3.25Å; W87-A96 PolarHBondContact NE1-O 2.94Å; W87-M98 HydrophobicContact CB-CE 3.52Å; W87-M98 HydrophobicContact CB-SD 3.74Å; W87-M98 HydrophobicContact CD2-CB 3.69Å; W87-M98 HydrophobicContact CE3-CB 4.05Å; W87-M98 HydrophobicContact CG-CB 3.98Å; W87-M98 HydrophobicContact CG-CE 3.75Å; W87-M98 HydrophobicContact CG-SD 4.07Å; W87-M98 HydrophobicContact CZ2-CB 4.24Å; W87-M98 HydrophobicContact CZ3-CB 4.47Å
88L91.8Very high86.5Confident0 Ų052.9 Ų52.90%032%0.324CS..Hα-helixtrans-91-14.8-175.9-61.7179.8000113.4T29 F33 V40 A84 E85 P86 L109 F124T29-L88 WeakPolarHBondContact CB-O 3.49Å; T29-L88 HydrophobicContact CG2-CD2 4.13Å; T29-L88 PolarHBondContact OG1-O 2.9Å; F33-L88 HydrophobicContact CE2-CD1 4.2Å; F33-L88 HydrophobicContact CZ-CD1 3.87Å; V40-L88 HydrophobicContact CG1-CD1 4.25Å; V40-L88 HydrophobicContact CG2-CD1 3.86Å; A84-L88 PolarHBondContact O-N 3.02Å; A84-L88 VanDerWaalsContact O-N 3.16Å; E85-L88 PolarHBondContact O-N 2.87Å; P86-L88 PolarHBondContact O-N 3.32Å; L88-L109 HydrophobicContact CD2-CD1 3.72Å; L88-F124 HydrophobicContact CD1-CE1 4.39Å; L88-F124 HydrophobicContact CD1-CZ 4.23Å
89S87Confident86.5Confident48 Ų4852.3 Ų52.334%0.33632%0.319SS..THydrogen-bonded Turntrans-100.820.8-178.7-62.60000113.4L18 E85 G91L18-S89 WeakPolarHBondContact CD1-O 3.4Å; E85-S89 WeakPolarHBondContact O-CB 3.33Å; E85-S89 PolarHBondContact O-N 3.42Å; E85-S89 PolarHBondContact O-OG 3.46Å; E85-S89 VanDerWaalsContact O-OG 3.08Å; S89-G91 PolarHBondContact O-N 3.02Å
90G77.7Confident86.4Confident43 Ų4351.9 Ų51.944%0.44332%0.318SS..THydrogen-bonded Turntrans73.77-177.200000114.1
91G69.4Low86.2Confident35 Ų3557.6 Ų57.636%0.36134%0.34SS..PPolyproline II helixtrans-77.1143.1171.700000110.9P86 S89P86-G91 CarbonylContact O-C 3.55Å; P86-G91 WeakPolarHBondContact O-CA 3.43Å; P86-G91 PolarHBondContact O-N 2.63Å; S89-G91 PolarHBondContact O-N 3.02Å
92G65.9Low86Confident71 Ų7159.1 Ų59.173%0.73235%0.346SS*.PPolyproline II helixtrans-64.9146.8167.400000110.7G94G92-G94 PolarHBondContact O-N 3.02Å
93G63.8Low85.8Confident39 Ų3961.5 Ų61.540%0.40235%0.349SS..PPolyproline II helixtrans-52.7131.8-175.400000113.8W87W87-G93 VanDerWaalsContact CE2-CA 3.44Å; W87-G93 VanDerWaalsContact CZ2-CA 3.42Å
94G66.8Low85.6Confident52 Ų5268.1 Ų68.154%0.53638%0.383SS..  trans-73.5-149.7166.800000111.6G92 A96G92-G94 PolarHBondContact O-N 3.02Å; G94-A96 PolarHBondContact O-N 3.33Å; G94-A96 VanDerWaalsContact O-N 3.17Å
95E78.9Confident85.2Confident204 Ų20470 Ų7095%0.95340%0.403SS*.SBendtrans-65.6-16.2175.9-64.2-178.1164.800113.4
96A88.9Confident85.3Confident7 Ų768.6 Ų68.66%0.05840%0.399CS..SBendtrans-82.7142.718000000112.4A83 W87 G94 L111 K112A83-A96 HydrophobicContact CB-CB 4.09Å; W87-A96 WeakPolarHBondContact CZ2-O 3.25Å; W87-A96 PolarHBondContact NE1-O 2.94Å; G94-A96 PolarHBondContact O-N 3.33Å; G94-A96 VanDerWaalsContact O-N 3.17Å; A96-L111 HydrophobicContact CB-CD1 3.68Å; A96-K112 CarbonylContact C-O 3.54Å; A96-K112 WeakPolarHBondContact CA-O 3.46Å
97Q92.7Very high85.4Confident137 Ų13766.6 Ų66.664%0.6439%0.386SS*.EExtended strand (participates in β ladder)trans-98.6134.8174.2-62.5174.35.800110.2L111 K112Q97-L111 CarbonylContact O-C 3.58Å; Q97-L111 WeakPolarHBondContact O-CA 3.34Å; Q97-K112 HydrophobicContact CB-CB 4.49Å; Q97-K112 PolarHBondContact N-O 2.91Å; Q97-K112 PolarHBondContact O-N 3.26Å
98M94.2Very high85.7Confident13 Ų1365.6 Ų65.66%0.06439%0.385CS..EExtended strand (participates in β ladder)trans-125134.9174.6-164.9174.5-71.300111.3I22 A84 W87 L109 K110 L111 F124I22-M98 HydrophobicContact CD1-SD 3.79Å; I22-M98 HydrophobicContact CG2-CB 3.91Å; I22-M98 HydrophobicContact CG2-CG 3.75Å; I22-M98 WeakPolarHBondContact CG2-O 3.48Å; I22-M98 HydrophobicContact CG2-SD 4.27Å; A84-M98 HydrophobicContact CB-CE 4.45Å; W87-M98 HydrophobicContact CB-CE 3.52Å; W87-M98 HydrophobicContact CB-SD 3.74Å; W87-M98 HydrophobicContact CD2-CB 3.69Å; W87-M98 HydrophobicContact CE3-CB 4.05Å; W87-M98 HydrophobicContact CG-CB 3.98Å; W87-M98 HydrophobicContact CG-CE 3.75Å; W87-M98 HydrophobicContact CG-SD 4.07Å; W87-M98 HydrophobicContact CZ2-CB 4.24Å; W87-M98 HydrophobicContact CZ3-CB 4.47Å; M98-L109 HydrophobicContact CG-CB 4.44Å; M98-L109 HydrophobicContact SD-CB 4.17Å; M98-L109 HydrophobicContact SD-CD1 4.3Å; M98-K110 CarbonylContact C-O 3.5Å; M98-K110 VanDerWaalsContact CA-O 3.26Å; M98-K110 WeakPolarHBondContact CA-O 3.47Å; M98-L111 HydrophobicContact CE-CB 4.28Å; M98-L111 HydrophobicContact CE-CD1 3.8Å; M98-L111 HydrophobicContact CE-CG 4.47Å; M98-F124 HydrophobicContact CE-CE2 4.29Å
99C93.9Very high85.9Confident30 Ų3065.6 Ų65.620%0.20339%0.385CS..EExtended strand (participates in β ladder)trans-133.6157.3175.462.70000113.5D23 W101 L109 K110D23-C99 HydrophobicContact CB-CB 4.19Å; D23-C99 WeakPolarHBondContact OD2-CB 3.07Å; C99-W101 PolarHBondContact SG-NE1 2.86Å; C99-L109 WeakPolarHBondContact O-CA 3.42Å; C99-K110 PolarHBondContact N-O 3.44Å; C99-K110 PolarHBondContact O-N 3.49Å
100V94.1Very high86.3Confident18 Ų1865.5 Ų65.511%0.10938%0.378CS..EExtended strand (participates in β ladder)trans-113.4131.5-170-173.60000111.2I22 D23 C25 M107 L109I22-V100 HydrophobicContact CB-CG2 3.62Å; I22-V100 HydrophobicContact CG2-CG2 3.48Å; I22-V100 VanDerWaalsContact CG2-CG2 3.48Å; I22-V100 WeakPolarHBondContact O-CG2 3.36Å; D23-V100 HydrophobicContact CB-CG2 4.38Å; C25-V100 HydrophobicContact CB-CB 4.39Å; C25-V100 HydrophobicContact CB-CG1 4.48Å; C25-V100 HydrophobicContact CB-CG2 4.22Å; V100-M107 HydrophobicContact CG1-CE 4.24Å; V100-M107 HydrophobicContact CG1-SD 3.35Å; V100-M107 WeakPolarHBondContact CG1-SD 3.5Å; V100-L109 HydrophobicContact CB-CD2 4.35Å; V100-L109 HydrophobicContact CG1-CD2 4.11Å; V100-L109 HydrophobicContact CG2-CD2 3.74Å
101W92.5Very high87.2Confident121 Ų12163.5 Ų63.546%0.45836%0.357SS..EExtended strand (participates in β ladder)trans-132.3128.7-177.9-66.253.5000108.9C99 T108 K110C99-W101 PolarHBondContact SG-NE1 2.86Å; W101-T108 PolarHBondContact N-O 3.13Å; W101-T108 PolarHBondContact O-N 2.93Å; W101-K110 HydrophobicContact CD2-CD 4.16Å; W101-K110 HydrophobicContact CG-CD 4.31Å; W101-K110 HydrophobicContact CZ2-CD 4.25Å; W101-K110 VanDerWaalsContact CZ3-NZ 3.33Å
102R89.8Confident88.5Confident124 Ų12466.8 Ų66.847%0.46836%0.361SS..EExtended strand (participates in β ladder)trans-113.3125.6173.8-176179.3-70.3-124.7-5.5110D44 W49D44-R102 IonicContact OD2-CZ 3.65Å; D44-R102 IonicContact OD2-NH1 2.63Å; D44-R102 IonicContact OD2-NH2 3.44Å; D44-R102 PolarHBondContact OD2-NH2 3.13Å; W49-R102 VanDerWaalsContact CH2-CZ 3.49Å; W49-R102 VanDerWaalsContact CH2-NH1 3.34Å; W49-R102 VanDerWaalsContact CZ2-CZ 3.43Å; W49-R102 VanDerWaalsContact CZ2-NH2 3.28Å
103R90.2Very high89.8Confident169 Ų16964.4 Ų64.464%0.63833%0.334SS*.EExtended strand (participates in β ladder)trans-151.6135.6175.4-175.3177.5-66.5166.2-1.1110.3G105 V106R103-G105 PolarHBondContact O-N 3.48Å; R103-G105 VanDerWaalsContact O-N 3.11Å; R103-V106 PolarHBondContact N-O 3.5Å; R103-V106 VanDerWaalsContact N-O 3.08Å; R103-V106 WeakPolarHBondContact O-CB 3.35Å; R103-V106 PolarHBondContact O-N 3.17Å
104D88.8Confident91.2Very high153 Ų15368.7 Ų68.782%0.81834%0.343SS*.THydrogen-bonded Turntrans51.537.4173.8-53.9-34.2000114.3V106D104-V106 PolarHBondContact O-N 2.83Å
105G86.4Confident92.3Very high40 Ų4068.4 Ų68.441%0.41233%0.329SS..THydrogen-bonded Turntrans76.2-0.7-178.500000115.1W49 R103W49-G105 PolarHBondContact NE1-O 3.24Å; R103-G105 PolarHBondContact O-N 3.48Å; R103-G105 VanDerWaalsContact O-N 3.11Å
106V94Very high92.6Very high47 Ų4763.5 Ų63.529%0.28532%0.323SS..EExtended strand (participates in β ladder)trans-95.4131.9174.4-177.30000109.7R103 D104 C126R103-V106 PolarHBondContact N-O 3.5Å; R103-V106 VanDerWaalsContact N-O 3.08Å; R103-V106 WeakPolarHBondContact O-CB 3.35Å; R103-V106 PolarHBondContact O-N 3.17Å; D104-V106 PolarHBondContact O-N 2.83Å; V106-C126 WeakPolarHBondContact CA-O 3.32Å; V106-C126 WeakPolarHBondContact CG1-O 3.18Å
107M95.5Very high92.5Very high5 Ų565.6 Ų65.63%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-95.2119.3170.8-176.567.790.800109L27 L42 W49 V100 C126L27-M107 HydrophobicContact CD2-CE 4.22Å; L42-M107 HydrophobicContact CD1-CG 3.97Å; W49-M107 HydrophobicContact CB-CB 4.15Å; W49-M107 HydrophobicContact CD2-CB 3.79Å; W49-M107 HydrophobicContact CE3-CB 4.36Å; W49-M107 HydrophobicContact CE3-CE 4.25Å; W49-M107 HydrophobicContact CG-CB 3.62Å; W49-M107 HydrophobicContact CZ3-CE 4.16Å; V100-M107 HydrophobicContact CG1-CE 4.24Å; V100-M107 HydrophobicContact CG1-SD 3.35Å; V100-M107 WeakPolarHBondContact CG1-SD 3.5Å; M107-C126 HydrophobicContact CB-CB 4.42Å; M107-C126 PolarHBondContact N-O 2.76Å; M107-C126 WeakPolarHBondContact O-CA 3.48Å; M107-C126 WeakPolarHBondContact O-CB 3.4Å; M107-C126 PolarHBondContact O-N 2.93Å
108T96.8Very high92.4Very high22 Ų2263.3 Ų63.314%0.13534%0.337CS..EExtended strand (participates in β ladder)trans-112.5121.1179.3-55.80000111.1W101 K110 E123 F124 R125W101-T108 PolarHBondContact N-O 3.13Å; W101-T108 PolarHBondContact O-N 2.93Å; T108-K110 HydrophobicContact CG2-CG 4.04Å; T108-E123 HydrophobicContact CG2-CB 4.13Å; T108-F124 CarbonylContact C-O 3.51Å; T108-F124 WeakPolarHBondContact CA-O 3.14Å; T108-R125 HydrophobicContact CG2-CG 4.38Å
109L96.4Very high92.4Very high0 Ų067 Ų670%036%0.362CS..EExtended strand (participates in β ladder)trans-98.5115.3169.3-49178.8000108.7I22 L27 L42 L88 M98 C99 V100 E123 F124I22-L109 HydrophobicContact CD1-CD1 4.45Å; I22-L109 HydrophobicContact CD1-CD2 4.49Å; L27-L109 HydrophobicContact CD1-CD2 4.37Å; L42-L109 HydrophobicContact CD1-CD1 3.68Å; L42-L109 HydrophobicContact CD1-CD2 4.21Å; L42-L109 HydrophobicContact CD1-CG 3.9Å; L42-L109 HydrophobicContact CD2-CD1 3.98Å; L42-L109 HydrophobicContact CG-CD1 4.48Å; L88-L109 HydrophobicContact CD2-CD1 3.72Å; M98-L109 HydrophobicContact CG-CB 4.44Å; M98-L109 HydrophobicContact SD-CB 4.17Å; M98-L109 HydrophobicContact SD-CD1 4.3Å; C99-L109 WeakPolarHBondContact O-CA 3.42Å; V100-L109 HydrophobicContact CB-CD2 4.35Å; V100-L109 HydrophobicContact CG1-CD2 4.11Å; V100-L109 HydrophobicContact CG2-CD2 3.74Å; L109-E123 CarbonylContact O-C 3.56Å; L109-E123 WeakPolarHBondContact O-CA 3.26Å; L109-F124 HydrophobicContact CB-CB 4.08Å; L109-F124 HydrophobicContact CB-CD2 4.06Å; L109-F124 HydrophobicContact CB-CG 4.5Å; L109-F124 HydrophobicContact CG-CB 4.46Å; L109-F124 PolarHBondContact N-O 2.91Å; L109-F124 PolarHBondContact O-N 3.43Å
110K96.3Very high92.5Very high45 Ų4565.6 Ų65.620%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-96.8122.5178-59-170.1178.1178.40109.5M98 C99 W101 T108 E123M98-K110 CarbonylContact C-O 3.5Å; M98-K110 VanDerWaalsContact CA-O 3.26Å; M98-K110 WeakPolarHBondContact CA-O 3.47Å; C99-K110 PolarHBondContact N-O 3.44Å; C99-K110 PolarHBondContact O-N 3.49Å; W101-K110 HydrophobicContact CD2-CD 4.16Å; W101-K110 HydrophobicContact CG-CD 4.31Å; W101-K110 HydrophobicContact CZ2-CD 4.25Å; W101-K110 VanDerWaalsContact CZ3-NZ 3.33Å; T108-K110 HydrophobicContact CG2-CG 4.04Å; K110-E123 VanDerWaalsContact CE-OE1 3.23Å; K110-E123 WeakPolarHBondContact CE-OE1 3.22Å; K110-E123 HydrophobicContact CG-CG 4.14Å; K110-E123 IonicContact NZ-OE1 3.72Å
111L96.2Very high92.6Very high1 Ų168.2 Ų68.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-106131.6176.9177.867.2000109.5L80 A83 A84 A96 Q97 M98 H121 W122L80-L111 HydrophobicContact CD1-CD2 3.82Å; A83-L111 HydrophobicContact CB-CD1 4.49Å; A83-L111 HydrophobicContact CB-CD2 3.94Å; A84-L111 HydrophobicContact CB-CD2 3.9Å; A96-L111 HydrophobicContact CB-CD1 3.68Å; Q97-L111 CarbonylContact O-C 3.58Å; Q97-L111 WeakPolarHBondContact O-CA 3.34Å; M98-L111 HydrophobicContact CE-CB 4.28Å; M98-L111 HydrophobicContact CE-CD1 3.8Å; M98-L111 HydrophobicContact CE-CG 4.47Å; L111-H121 WeakPolarHBondContact O-CA 3.38Å; L111-W122 HydrophobicContact CB-CB 4.16Å; L111-W122 HydrophobicContact CD2-CB 4.28Å; L111-W122 PolarHBondContact N-O 2.89Å; L111-W122 PolarHBondContact O-N 2.85Å
112K95.9Very high92.9Very high104 Ų10462.5 Ų62.545%0.45234%0.342SS..EExtended strand (participates in β ladder)trans-124.6126.5171.2-63.8-177.9179.1176.30108.9A96 Q97 F120A96-K112 CarbonylContact C-O 3.54Å; A96-K112 WeakPolarHBondContact CA-O 3.46Å; Q97-K112 HydrophobicContact CB-CB 4.49Å; Q97-K112 PolarHBondContact N-O 2.91Å; Q97-K112 PolarHBondContact O-N 3.26Å; K112-F120 WeakPolarHBondContact CA-O 3.37Å
113S94.9Very high93.2Very high21 Ų2158.4 Ų58.415%0.14733%0.328CS..EExtended strand (participates in β ladder)trans-143.6-175.2174.365.80000110.2H79 F120H79-S113 PolarHBondContact NE2-OG 3Å; S113-F120 PolarHBondContact N-O 2.86Å; S113-F120 PolarHBondContact O-N 3.39Å; S113-F120 VanDerWaalsContact OG-CD1 3.22Å; S113-F120 WeakPolarHBondContact OG-CD1 3.36Å
114E93.1Very high93.6Very high129 Ų12950.4 Ų50.460%0.60330%0.298SS*.EExtended strand (participates in β ladder)trans-119139.7173.8-168-176.4125.900109.4H79 G117 L118H79-E114 PolarHBondContact CE1-O 3.37Å; H79-E114 PolarHBondContact NE2-O 3.04Å; E114-G117 WeakPolarHBondContact OE1-CA 3.35Å; E114-G117 PolarHBondContact OE1-N 2.97Å; E114-L118 CarbonylContact C-O 3.58Å; E114-L118 WeakPolarHBondContact CA-O 3.44Å
115L89.4Confident94Very high46 Ų4646.9 Ų46.924%0.24127%0.273CS..EExtended strand (participates in β ladder)trans-125104.7172.5176.756.5000108.3L69 H79 G117 L118 F120L69-L115 HydrophobicContact CD1-CD2 4.04Å; L69-L115 HydrophobicContact CD2-CD2 4.24Å; H79-L115 HydrophobicContact CB-CD1 4.32Å; H79-L115 HydrophobicContact CB-CD2 4.31Å; L115-G117 PolarHBondContact O-N 2.61Å; L115-L118 PolarHBondContact N-O 3.49Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 3.01Å; L115-F120 HydrophobicContact CB-CB 4.34Å; L115-F120 HydrophobicContact CB-CD2 4.44Å; L115-F120 HydrophobicContact CD2-CD2 4.28Å
116A85.3Confident94.5Very high101 Ų10145 Ų4584%0.83525%0.254SS*.THydrogen-bonded Turntrans51.550179.600000114.1L118A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.37Å
117G86.8Confident94.6Very high51 Ų5143.9 Ų43.953%0.52625%0.252SS..THydrogen-bonded Turntrans84.5-8.1-178.100000114.8E114 L115E114-G117 WeakPolarHBondContact OE1-CA 3.35Å; E114-G117 PolarHBondContact OE1-N 2.97Å; L115-G117 PolarHBondContact O-N 2.61Å
118L90.1Very high94.7Very high89 Ų8948 Ų4847%0.46628%0.279SS..EExtended strand (participates in β ladder)trans-104136.5-177.2-62.6175.1000111.7L69 E114 L115 A116 F120L69-L118 HydrophobicContact CD1-CD1 4.18Å; E114-L118 CarbonylContact C-O 3.58Å; E114-L118 WeakPolarHBondContact CA-O 3.44Å; L115-L118 PolarHBondContact N-O 3.49Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 3.01Å; A116-L118 VanDerWaalsContact C-N 3.27Å; A116-L118 PolarHBondContact O-N 3.37Å; L118-F120 PolarHBondContact O-N 3.4Å
119P93.4Very high94.7Very high91 Ų9147.6 Ų47.659%0.59128%0.278SS*.EExtended strand (participates in β ladder)trans-60.9128.2173.4-22.933000111.8
120F96.1Very high94.6Very high1 Ų150.2 Ų50.20%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-114.2129.8177-178.4-83.4000109.9L69 F76 H79 L80 K112 S113 L115 L118 W122L69-F120 HydrophobicContact CD2-CD2 4.37Å; F76-F120 HydrophobicContact CD1-CE2 4.39Å; F76-F120 HydrophobicContact CD1-CZ 4.36Å; F76-F120 AromaticContact CD2-CE2 3.67Å; F76-F120 HydrophobicContact CD2-CE2 3.67Å; F76-F120 HydrophobicContact CD2-CZ 4.38Å; F76-F120 AromaticContact CE1-CE2 3.99Å; F76-F120 HydrophobicContact CE1-CE2 3.99Å; F76-F120 AromaticContact CE1-CZ 3.72Å; F76-F120 HydrophobicContact CE1-CZ 3.72Å; F76-F120 HydrophobicContact CE2-CD2 4.03Å; F76-F120 AromaticContact CE2-CE2 3.2Å; F76-F120 HydrophobicContact CE2-CE2 3.2Å; F76-F120 AromaticContact CE2-CZ 3.76Å; F76-F120 HydrophobicContact CE2-CZ 3.76Å; F76-F120 HydrophobicContact CG-CE2 4.24Å; F76-F120 HydrophobicContact CZ-CD2 4.41Å; F76-F120 HydrophobicContact CZ-CE1 4.42Å; F76-F120 AromaticContact CZ-CE2 3.37Å; F76-F120 HydrophobicContact CZ-CE2 3.37Å; F76-F120 AromaticContact CZ-CZ 3.37Å; F76-F120 HydrophobicContact CZ-CZ 3.37Å; H79-F120 AromaticContact CD2-CD1 3.78Å; H79-F120 AromaticContact CD2-CD2 3.46Å; H79-F120 VanDerWaalsContact CD2-CD2 3.46Å; H79-F120 WeakPolarHBondContact CD2-CD2 3.32Å; H79-F120 AromaticContact CD2-CE1 3.92Å; H79-F120 AromaticContact CD2-CE2 3.59Å; H79-F120 AromaticContact CD2-CG 3.55Å; H79-F120 AromaticContact CD2-CZ 3.83Å; H79-F120 AromaticContact NE2-CG 3.77Å; L80-F120 HydrophobicContact CB-CZ 4.08Å; L80-F120 HydrophobicContact CD1-CE1 4.27Å; L80-F120 HydrophobicContact CD1-CZ 4.47Å; K112-F120 WeakPolarHBondContact CA-O 3.37Å; S113-F120 PolarHBondContact N-O 2.86Å; S113-F120 PolarHBondContact O-N 3.39Å; S113-F120 VanDerWaalsContact OG-CD1 3.22Å; S113-F120 WeakPolarHBondContact OG-CD1 3.36Å; L115-F120 HydrophobicContact CB-CB 4.34Å; L115-F120 HydrophobicContact CB-CD2 4.44Å; L115-F120 HydrophobicContact CD2-CD2 4.28Å; L118-F120 PolarHBondContact O-N 3.4Å; F120-W122 HydrophobicContact CE1-CB 4.16Å
121H96.9Very high94.6Very high72 Ų7253.5 Ų53.533%0.33332%0.319SS..EExtended strand (participates in β ladder)trans-127.7136.2-177.9-61.781.3000110.8L65 N66 L111L65-H121 HydrophobicContact CB-CB 4.48Å; N66-H121 PolarHBondContact ND2-O 2.9Å; N66-H121 PolarHBondContact OD1-N 3.37Å; N66-H121 PolarHBondContact OD1-O 3.32Å; L111-H121 WeakPolarHBondContact O-CA 3.38Å
122W97.8Very high94.5Very high1 Ų157.6 Ų57.60%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-139.1151.1169.5-169.9-103.8000111Y38 M53 I58 R61 A62 L65 F76 L80 L111 F120 F124Y38-W122 AromaticContact CE1-CZ2 3.81Å; Y38-W122 HydrophobicContact CE1-CZ2 3.81Å; Y38-W122 AromaticContact CZ-NE1 3.96Å; Y38-W122 WeakPolarHBondContact OH-CZ2 3.4Å; Y38-W122 PolarHBondContact OH-NE1 3.35Å; M53-W122 HydrophobicContact CE-CH2 4.14Å; M53-W122 HydrophobicContact CE-CZ2 4.04Å; I58-W122 HydrophobicContact CB-CH2 4.33Å; I58-W122 HydrophobicContact CG1-CH2 4.37Å; I58-W122 HydrophobicContact CG2-CH2 4.05Å; R61-W122 HydrophobicContact CB-CH2 3.69Å; R61-W122 HydrophobicContact CB-CZ3 3.88Å; R61-W122 HydrophobicContact CG-CE3 4.45Å; R61-W122 HydrophobicContact CG-CH2 3.89Å; R61-W122 HydrophobicContact CG-CZ2 4.46Å; R61-W122 HydrophobicContact CG-CZ3 3.89Å; A62-W122 HydrophobicContact CB-CZ3 4.3Å; L65-W122 HydrophobicContact CD1-CE3 4.42Å; F76-W122 AromaticContact CE1-CE3 3.64Å; F76-W122 HydrophobicContact CE1-CE3 3.64Å; F76-W122 HydrophobicContact CE1-CH2 4.48Å; F76-W122 AromaticContact CE1-CZ3 3.56Å; F76-W122 HydrophobicContact CE1-CZ3 3.56Å; F76-W122 AromaticContact CZ-CE3 3.76Å; F76-W122 HydrophobicContact CZ-CE3 3.76Å; F76-W122 AromaticContact CZ-CZ3 3.92Å; F76-W122 HydrophobicContact CZ-CZ3 3.92Å; L80-W122 HydrophobicContact CD1-CB 3.69Å; L80-W122 HydrophobicContact CD1-CD2 3.96Å; L80-W122 HydrophobicContact CD1-CG 3.41Å; L80-W122 VanDerWaalsContact CD1-CG 3.41Å; L80-W122 HydrophobicContact CD2-CD2 3.82Å; L80-W122 HydrophobicContact CD2-CE3 4.35Å; L80-W122 HydrophobicContact CD2-CG 4.15Å; L80-W122 HydrophobicContact CD2-CH2 4.48Å; L80-W122 HydrophobicContact CD2-CZ2 4Å; L80-W122 HydrophobicContact CG-CG 4.44Å; L111-W122 HydrophobicContact CB-CB 4.16Å; L111-W122 HydrophobicContact CD2-CB 4.28Å; L111-W122 PolarHBondContact N-O 2.89Å; L111-W122 PolarHBondContact O-N 2.85Å; F120-W122 HydrophobicContact CE1-CB 4.16Å; W122-F124 AromaticContact CD1-CD2 3.72Å; W122-F124 AromaticContact CD1-CE1 4Å; W122-F124 AromaticContact CD1-CE2 3.53Å; W122-F124 AromaticContact CD1-CZ 3.67Å; W122-F124 AromaticContact NE1-CD1 3.84Å; W122-F124 AromaticContact NE1-CE1 3.74Å; W122-F124 AromaticContact NE1-CZ 3.89Å
123E97.5Very high94.4Very high39 Ų3953.2 Ų53.218%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-129.3120.5172.6-59.8-171.5150.300108.2R61 L65 T108 L109 K110 R125R61-E123 PolarHBondContact NH1-O 3.44Å; L65-E123 HydrophobicContact CD1-CB 4.21Å; L65-E123 HydrophobicContact CD1-CG 4Å; L65-E123 HydrophobicContact CD2-CG 4.47Å; T108-E123 HydrophobicContact CG2-CB 4.13Å; L109-E123 CarbonylContact O-C 3.56Å; L109-E123 WeakPolarHBondContact O-CA 3.26Å; K110-E123 VanDerWaalsContact CE-OE1 3.23Å; K110-E123 WeakPolarHBondContact CE-OE1 3.22Å; K110-E123 HydrophobicContact CG-CG 4.14Å; K110-E123 IonicContact NZ-OE1 3.72Å; E123-R125 HydrophobicContact CB-CG 4.16Å; E123-R125 IonicContact OE2-CZ 3.03Å; E123-R125 IonicContact OE2-NE 3.8Å; E123-R125 PolarHBondContact OE2-NE 2.97Å; E123-R125 IonicContact OE2-NH2 3.68Å; E123-R125 PolarHBondContact OE2-NH2 3.45Å
124F97.8Very high94.3Very high0 Ų053.9 Ų53.90%033%0.332CS..EExtended strand (participates in β ladder)trans-83.5112.9164.3-61-89.3000107.5F33 Y38 V40 E51 L80 A84 L88 M98 T108 L109 W122F33-F124 HydrophobicContact CZ-CZ 4.47Å; Y38-F124 HydrophobicContact CD2-CD1 4.44Å; Y38-F124 HydrophobicContact CD2-CE1 4.27Å; Y38-F124 HydrophobicContact CE1-CE1 4.28Å; Y38-F124 AromaticContact CE2-CD1 3.62Å; Y38-F124 HydrophobicContact CE2-CD1 3.62Å; Y38-F124 AromaticContact CE2-CE1 3.79Å; Y38-F124 HydrophobicContact CE2-CE1 3.79Å; Y38-F124 AromaticContact CZ-CD1 3.68Å; Y38-F124 AromaticContact CZ-CE1 3.74Å; V40-F124 HydrophobicContact CG2-CD1 4.15Å; V40-F124 HydrophobicContact CG2-CE1 4.17Å; E51-F124 WeakPolarHBondContact OE2-CA 3.45Å; L80-F124 HydrophobicContact CD1-CZ 4.14Å; A84-F124 HydrophobicContact CB-CE2 3.88Å; A84-F124 HydrophobicContact CB-CZ 3.57Å; L88-F124 HydrophobicContact CD1-CE1 4.39Å; L88-F124 HydrophobicContact CD1-CZ 4.23Å; M98-F124 HydrophobicContact CE-CE2 4.29Å; T108-F124 CarbonylContact C-O 3.51Å; T108-F124 WeakPolarHBondContact CA-O 3.14Å; L109-F124 HydrophobicContact CB-CB 4.08Å; L109-F124 HydrophobicContact CB-CD2 4.06Å; L109-F124 HydrophobicContact CB-CG 4.5Å; L109-F124 HydrophobicContact CG-CB 4.46Å; L109-F124 PolarHBondContact N-O 2.91Å; L109-F124 PolarHBondContact O-N 3.43Å; W122-F124 AromaticContact CD1-CD2 3.72Å; W122-F124 AromaticContact CD1-CE1 4Å; W122-F124 AromaticContact CD1-CE2 3.53Å; W122-F124 AromaticContact CD1-CZ 3.67Å; W122-F124 AromaticContact NE1-CD1 3.84Å; W122-F124 AromaticContact NE1-CE1 3.74Å; W122-F124 AromaticContact NE1-CZ 3.89Å
125R97.2Very high94.4Very high80 Ų8049.5 Ų49.530%0.30232%0.315SS..EExtended strand (participates in β ladder)trans-105.475.7-173.9-63.5178.5179.7163.20.5109E51 E64 T108 E123 G127E51-R125 VanDerWaalsContact CD-N 3.27Å; E51-R125 WeakPolarHBondContact OE1-CA 3.47Å; E51-R125 PolarHBondContact OE1-N 2.92Å; E51-R125 PolarHBondContact OE2-N 3.22Å; E64-R125 IonicContact OE1-CZ 3.96Å; E64-R125 IonicContact OE1-NH1 3.68Å; E64-R125 PolarHBondContact OE1-NH1 3.39Å; E64-R125 IonicContact OE1-NH2 3.93Å; E64-R125 PolarHBondContact OE1-NH2 3.04Å; E64-R125 IonicContact OE2-NH1 3.88Å; E64-R125 PolarHBondContact OE2-NH1 3.14Å; T108-R125 HydrophobicContact CG2-CG 4.38Å; E123-R125 HydrophobicContact CB-CG 4.16Å; E123-R125 IonicContact OE2-CZ 3.03Å; E123-R125 IonicContact OE2-NE 3.8Å; E123-R125 PolarHBondContact OE2-NE 2.97Å; E123-R125 IonicContact OE2-NH2 3.68Å; E123-R125 PolarHBondContact OE2-NH2 3.45Å; R125-G127 PolarHBondContact O-N 2.81Å
126C97.4Very high94.6Very high0 Ų048.5 Ų48.50%031%0.313CS..EExtended strand (participates in β ladder)trans-80.1114.9-172.4-52.20000111.9L42 W49 E50 E51 V106 M107L42-C126 HydrophobicContact CD1-CB 4.15Å; W49-C126 HydrophobicContact CB-CB 3.58Å; W49-C126 VanDerWaalsContact CD1-O 3.32Å; E50-C126 CarbonylContact O-C 3.58Å; E50-C126 VanDerWaalsContact O-CA 3.25Å; E50-C126 WeakPolarHBondContact O-CA 3.36Å; E51-C126 HydrophobicContact CB-CB 4.36Å; V106-C126 WeakPolarHBondContact CA-O 3.32Å; V106-C126 WeakPolarHBondContact CG1-O 3.18Å; M107-C126 HydrophobicContact CB-CB 4.42Å; M107-C126 PolarHBondContact N-O 2.76Å; M107-C126 WeakPolarHBondContact O-CA 3.48Å; M107-C126 WeakPolarHBondContact O-CB 3.4Å; M107-C126 PolarHBondContact O-N 2.93Å
127G96.9Very high94.9Very high23 Ų2343.9 Ų43.924%0.23728%0.275CS..EExtended strand (participates in β ladder)trans-82.9168.4174.800000112.1W49 E50 R125 A129W49-G127 CarbonylContact C-O 3.5Å; W49-G127 WeakPolarHBondContact CA-O 3.5Å; W49-G127 WeakPolarHBondContact CB-O 3.23Å; E50-G127 PolarHBondContact N-O 2.86Å; E50-G127 PolarHBondContact O-N 2.87Å; R125-G127 PolarHBondContact O-N 2.81Å; G127-A129 PolarHBondContact O-N 3.25Å
128P97.1Very high95.2Very high91 Ų9142.8 Ų42.859%0.59126%0.256SS*.EExtended strand (participates in β ladder)trans-56128.8175.4-23.433.2000111.7
129A96.4Very high95.4Very high15 Ų1541.6 Ų41.612%0.12425%0.253CS..PPolyproline II helixtrans-68.5139.5-178.700000111.5V48 E50 G127 L133 V134V48-A129 HydrophobicContact CB-CB 4Å; V48-A129 HydrophobicContact CG1-CB 3.74Å; V48-A129 WeakPolarHBondContact O-CB 3.48Å; V48-A129 PolarHBondContact O-N 2.92Å; E50-A129 HydrophobicContact CB-CB 4.35Å; E50-A129 HydrophobicContact CG-CB 4.4Å; G127-A129 PolarHBondContact O-N 3.25Å; A129-L133 HydrophobicContact CB-CD2 4.33Å; A129-V134 HydrophobicContact CB-CG2 3.98Å
130P95.1Very high95.5Very high55 Ų5543.4 Ų43.436%0.35725%0.248SC..PPolyproline II helixtrans-57.3141.7172.9-24.733.2000111.6E50 S132 L133 V134E50-P130 VanDerWaalsContact CD-CD 3.48Å; E50-P130 WeakPolarHBondContact OE1-CD 3.47Å; E50-P130 WeakPolarHBondContact OE1-CG 3.35Å; P130-S132 PolarHBondContact O-N 2.86Å; P130-S132 VanDerWaalsContact O-N 3.12Å; P130-L133 WeakPolarHBondContact O-CA 3.19Å; P130-L133 WeakPolarHBondContact O-CB 3.41Å; P130-L133 PolarHBondContact O-N 2.9Å; P130-V134 PolarHBondContact O-N 2.93Å; P130-V134 VanDerWaalsContact O-N 3.07Å
131V95.6Very high95.4Very high114 Ų11443.3 Ų43.369%0.69125%0.248SC*.Hα-helixtrans-55.7-35.4179.6177.90000111.9L133 V134 C135V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 2.85Å; V131-V134 PolarHBondContact O-N 2.84Å; V131-C135 WeakPolarHBondContact O-CB 3.45Å; V131-C135 PolarHBondContact O-N 2.93Å; V131-C135 PolarHBondContact O-SG 2.92Å; V131-C135 VanDerWaalsContact O-SG 3.39Å
132S93.7Very high95.3Very high87 Ų8743.5 Ų43.561%0.60825%0.251SS*.Hα-helixtrans-58.8-41.1175.751.50000112.4P130 A136P130-S132 PolarHBondContact O-N 2.86Å; P130-S132 VanDerWaalsContact O-N 3.12Å; S132-A136 WeakPolarHBondContact O-CB 3.42Å; S132-A136 PolarHBondContact O-N 2.85Å
133L93.1Very high95.2Very high12 Ų1248.5 Ų48.56%0.06328%0.277CS..Hα-helixtrans-71.5-44.8177.9-175.366000111.3L41 E50 A129 P130 V131 C135 A136 Q137L41-L133 HydrophobicContact CD1-CD2 4.28Å; L41-L133 HydrophobicContact CD2-CD1 4.45Å; L41-L133 HydrophobicContact CD2-CD2 3.96Å; L41-L133 HydrophobicContact CD2-CG 4.14Å; L41-L133 HydrophobicContact CG-CD2 4.21Å; E50-L133 HydrophobicContact CB-CD2 4.13Å; E50-L133 HydrophobicContact CG-CD2 4.37Å; E50-L133 WeakPolarHBondContact OE2-CD2 3.08Å; A129-L133 HydrophobicContact CB-CD2 4.33Å; P130-L133 WeakPolarHBondContact O-CA 3.19Å; P130-L133 WeakPolarHBondContact O-CB 3.41Å; P130-L133 PolarHBondContact O-N 2.9Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 2.85Å; L133-C135 VanDerWaalsContact C-N 3.27Å; L133-C135 PolarHBondContact O-N 2.85Å; L133-A136 PolarHBondContact O-N 2.87Å; L133-Q137 HydrophobicContact CD1-CG 3.66Å; L133-Q137 HydrophobicContact CG-CG 4.04Å; L133-Q137 WeakPolarHBondContact O-CB 3.35Å; L133-Q137 WeakPolarHBondContact O-CG 3.14Å; L133-Q137 PolarHBondContact O-N 3.12Å
134V94.8Very high95.1Very high35 Ų3548.3 Ų48.321%0.21228%0.282CS..Hα-helixtrans-57-44.2174.6178.60000110.6V48 A129 P130 V131 A136 L138 V139V48-V134 HydrophobicContact CB-CG2 3.9Å; V48-V134 HydrophobicContact CG1-CG2 4.2Å; V48-V134 HydrophobicContact CG2-CG1 4.29Å; V48-V134 HydrophobicContact CG2-CG2 4.06Å; A129-V134 HydrophobicContact CB-CG2 3.98Å; P130-V134 PolarHBondContact O-N 2.93Å; P130-V134 VanDerWaalsContact O-N 3.07Å; V131-V134 PolarHBondContact O-N 2.84Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.24Å; V134-L138 HydrophobicContact CG1-CD1 4.47Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.42Å; V134-V139 HydrophobicContact CG1-CG2 4.39Å; V134-V139 PolarHBondContact O-N 3.32Å
135C94.5Very high95Very high37 Ų3748.6 Ų48.625%0.2528%0.283CS..Iπ-helixtrans-62.3-39.8175.5-79.50000112.6V131 L133 R140V131-C135 WeakPolarHBondContact O-CB 3.45Å; V131-C135 PolarHBondContact O-N 2.93Å; V131-C135 PolarHBondContact O-SG 2.92Å; V131-C135 VanDerWaalsContact O-SG 3.39Å; L133-C135 VanDerWaalsContact C-N 3.27Å; L133-C135 PolarHBondContact O-N 2.85Å; C135-R140 WeakPolarHBondContact O-CB 3.43Å; C135-R140 WeakPolarHBondContact O-CG 2.92Å; C135-R140 PolarHBondContact O-N 2.98Å
136A92.3Very high94.9Very high25 Ų2548.2 Ų48.221%0.20729%0.293CS..Iπ-helixtrans-71.8-42.5-18000000112.9L13 S132 L133 V134 P141L13-A136 VanDerWaalsContact CD1-O 3.27Å; L13-A136 WeakPolarHBondContact CD1-O 3.46Å; S132-A136 WeakPolarHBondContact O-CB 3.42Å; S132-A136 PolarHBondContact O-N 2.85Å; L133-A136 PolarHBondContact O-N 2.87Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.24Å; A136-P141 WeakPolarHBondContact O-CD 3.34Å; A136-P141 VanDerWaalsContact O-CG 3.24Å; A136-P141 WeakPolarHBondContact O-CG 3.23Å
137Q92.8Very high94.8Very high4 Ų456.2 Ų56.22%0.01932%0.323CS..Iπ-helixtrans-91.3-22.8-171.2-65.7-71.1-13.100114.3W17 L41 L133 Y222W17-Q137 HydrophobicContact CZ2-CB 4.05Å; W17-Q137 PolarHBondContact NE1-O 2.62Å; L41-Q137 HydrophobicContact CD2-CB 4.26Å; L41-Q137 HydrophobicContact CD2-CG 3.74Å; L133-Q137 HydrophobicContact CD1-CG 3.66Å; L133-Q137 HydrophobicContact CG-CG 4.04Å; L133-Q137 WeakPolarHBondContact O-CB 3.35Å; L133-Q137 WeakPolarHBondContact O-CG 3.14Å; L133-Q137 PolarHBondContact O-N 3.12Å; Q137-Y222 VanDerWaalsContact O-CE2 3.32Å; Q137-Y222 WeakPolarHBondContact O-CE2 3.34Å; Q137-Y222 PolarHBondContact O-OH 3.11Å; Q137-Y222 PolarHBondContact OE1-OH 3.28Å
138L93.4Very high94.8Very high27 Ų2758.8 Ų58.814%0.14133%0.331CS..Iπ-helixtrans-126.9-64.8-176.6-68.7169.2000111.6W17 V48 V134 R140 P141 L142W17-L138 HydrophobicContact CD2-CD2 4.47Å; W17-L138 HydrophobicContact CZ2-CD1 4.22Å; W17-L138 HydrophobicContact CZ2-CD2 3.69Å; W17-L138 HydrophobicContact CZ2-CG 3.81Å; V48-L138 HydrophobicContact CG2-CD1 3.67Å; V134-L138 HydrophobicContact CG1-CD1 4.47Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.42Å; L138-R140 PolarHBondContact O-N 3.48Å; L138-P141 WeakPolarHBondContact O-CD 3.38Å; L138-L142 HydrophobicContact CB-CD1 4.33Å; L138-L142 HydrophobicContact CD2-CD1 4.49Å; L138-L142 VanDerWaalsContact O-CB 3.26Å; L138-L142 WeakPolarHBondContact O-CB 3.49Å; L138-L142 WeakPolarHBondContact O-CD1 2.95Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 2.97Å
139V94.8Very high94.7Very high65 Ų6557.6 Ų57.639%0.39432%0.319SS..Iπ-helixtrans-59.9-53.3-167-176.30000112.1V134 L143V134-V139 HydrophobicContact CG1-CG2 4.39Å; V134-V139 PolarHBondContact O-N 3.32Å; V139-L143 HydrophobicContact CG1-CD1 3.95Å; V139-L143 WeakPolarHBondContact O-CB 3.25Å; V139-L143 VanDerWaalsContact O-CG 3.29Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.1Å
140R94.4Very high94.6Very high128 Ų12862.2 Ų62.248%0.48334%0.338SS..Hα-helixtrans-71.3-41.2-175.2-59.2170179.4156.4-3.7113.1C135 L138 A144 R229C135-R140 WeakPolarHBondContact O-CB 3.43Å; C135-R140 WeakPolarHBondContact O-CG 2.92Å; C135-R140 PolarHBondContact O-N 2.98Å; L138-R140 PolarHBondContact O-N 3.48Å; R140-A144 WeakPolarHBondContact O-CB 3.4Å; R140-A144 PolarHBondContact O-N 3.31Å; R140-A144 VanDerWaalsContact O-N 3.14Å; R140-R229 VanDerWaalsContact CB-NH1 3.26Å
141P94Very high94.6Very high0 Ų066.6 Ų66.60%035%0.347CS..Hα-helixtrans-58.2-50.1170.9-27.235.7000112.4A136 L138 L143 A144 M145 Y222 V225 T226A136-P141 WeakPolarHBondContact O-CD 3.34Å; A136-P141 VanDerWaalsContact O-CG 3.24Å; A136-P141 WeakPolarHBondContact O-CG 3.23Å; L138-P141 WeakPolarHBondContact O-CD 3.38Å; P141-L143 PolarHBondContact O-N 3.05Å; P141-A144 WeakPolarHBondContact O-CA 3.24Å; P141-A144 WeakPolarHBondContact O-CB 3.27Å; P141-A144 PolarHBondContact O-N 3.12Å; P141-M145 VanDerWaalsContact O-CG 3.26Å; P141-M145 WeakPolarHBondContact O-CG 3.28Å; P141-M145 PolarHBondContact O-N 2.91Å; P141-Y222 HydrophobicContact CB-CD2 3.71Å; P141-Y222 HydrophobicContact CB-CE2 3.33Å; P141-Y222 HydrophobicContact CG-CE2 3.77Å; P141-V225 HydrophobicContact CB-CG1 4.49Å; P141-T226 HydrophobicContact CB-CG2 4.05Å; P141-T226 HydrophobicContact CG-CG2 3.87Å
142L94.5Very high94.7Very high76 Ų7666 Ų6640%0.39834%0.337SS..Hα-helixtrans-62-40.5-178.1-68.8171.2000112.5L138 A144 M145 S146 F214L138-L142 HydrophobicContact CB-CD1 4.33Å; L138-L142 HydrophobicContact CD2-CD1 4.49Å; L138-L142 VanDerWaalsContact O-CB 3.26Å; L138-L142 WeakPolarHBondContact O-CB 3.49Å; L138-L142 WeakPolarHBondContact O-CD1 2.95Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 2.97Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.07Å; L142-M145 HydrophobicContact CD2-SD 4.12Å; L142-M145 PolarHBondContact O-N 3.19Å; L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.41Å; L142-F214 HydrophobicContact CD2-CE2 4.1Å; L142-F214 HydrophobicContact CD2-CZ 4.39Å
143L96.1Very high94.7Very high106 Ų10665.2 Ų65.256%0.55533%0.328SS*.Hα-helixtrans-62.7-38.7173.2-74.6174000112.5V139 P141 R147V139-L143 HydrophobicContact CG1-CD1 3.95Å; V139-L143 WeakPolarHBondContact O-CB 3.25Å; V139-L143 VanDerWaalsContact O-CG 3.29Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.1Å; P141-L143 PolarHBondContact O-N 3.05Å; L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.39Å; L143-R147 PolarHBondContact O-N 3.46Å; L143-R147 VanDerWaalsContact O-N 3.1Å
144A95.2Very high94.9Very high34 Ų3467.5 Ų67.528%0.28134%0.339SS..Hα-helixtrans-69.9-38.4176.800000111.9R140 P141 L142 R147 L148 V225R140-A144 WeakPolarHBondContact O-CB 3.4Å; R140-A144 PolarHBondContact O-N 3.31Å; R140-A144 VanDerWaalsContact O-N 3.14Å; P141-A144 WeakPolarHBondContact O-CA 3.24Å; P141-A144 WeakPolarHBondContact O-CB 3.27Å; P141-A144 PolarHBondContact O-N 3.12Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.07Å; A144-R147 PolarHBondContact O-N 2.91Å; A144-L148 PolarHBondContact O-N 3.29Å; A144-V225 HydrophobicContact CB-CG1 3.58Å
145M95.7Very high95Very high6 Ų671.8 Ų71.83%0.0336%0.356CS..Hα-helixtrans-62.5-48.3173.2-64.1172.463.100111.2P141 L142 R147 L148 L149 F214 L218 L221 Y222 V225P141-M145 VanDerWaalsContact O-CG 3.26Å; P141-M145 WeakPolarHBondContact O-CG 3.28Å; P141-M145 PolarHBondContact O-N 2.91Å; L142-M145 HydrophobicContact CD2-SD 4.12Å; L142-M145 PolarHBondContact O-N 3.19Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 2.83Å; M145-L148 WeakPolarHBondContact O-CB 3.43Å; M145-L148 PolarHBondContact O-N 2.82Å; M145-L149 WeakPolarHBondContact O-CG 3.49Å; M145-L149 PolarHBondContact O-N 3.03Å; M145-F214 HydrophobicContact CE-CE2 3.88Å; M145-F214 HydrophobicContact CE-CZ 4.31Å; M145-F214 HydrophobicContact SD-CE2 4.4Å; M145-F214 HydrophobicContact SD-CZ 4.41Å; M145-L218 HydrophobicContact CE-CB 4.28Å; M145-L218 HydrophobicContact CE-CD2 4.2Å; M145-L218 WeakPolarHBondContact CE-O 3.04Å; M145-L221 HydrophobicContact CB-CD2 3.99Å; M145-L221 HydrophobicContact CB-CG 4.26Å; M145-L221 HydrophobicContact CE-CB 3.97Å; M145-L221 HydrophobicContact CE-CD2 3.81Å; M145-L221 HydrophobicContact CE-CG 3.77Å; M145-L221 HydrophobicContact CG-CD2 4.22Å; M145-L221 HydrophobicContact CG-CG 3.95Å; M145-Y222 VanDerWaalsContact SD-CA 3.6Å; M145-Y222 HydrophobicContact SD-CD2 3.96Å; M145-Y222 HydrophobicContact SD-CG 4.32Å; M145-V225 HydrophobicContact CG-CB 4.34Å; M145-V225 HydrophobicContact CG-CG2 3.88Å
146S95.6Very high95.1Very high73 Ų7374.3 Ų74.351%0.5137%0.367SS..Hα-helixtrans-56-43.9176.8172.30000111.7L142 L148 L149 H150L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.41Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 3.05Å; S146-L149 PolarHBondContact O-N 2.99Å; S146-H150 VanDerWaalsContact O-CB 3.32Å; S146-H150 WeakPolarHBondContact O-CB 3.2Å; S146-H150 PolarHBondContact O-N 3.03Å
147R95.9Very high95.3Very high168 Ų16873.5 Ų73.563%0.63436%0.361SS*.Hα-helixtrans-64-37.2174.9-72.1173.866.61783.8113.1L143 A144 M145 R151L143-R147 VanDerWaalsContact O-CG 3.28Å; L143-R147 WeakPolarHBondContact O-CG 3.39Å; L143-R147 PolarHBondContact O-N 3.46Å; L143-R147 VanDerWaalsContact O-N 3.1Å; A144-R147 PolarHBondContact O-N 2.91Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 2.83Å; R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.47Å; R147-R151 VanDerWaalsContact O-N 3.13Å
148L95.6Very high95.5Very high77 Ų7779 Ų7940%0.40339%0.387SS..Hα-helixtrans-69.4-47.6178.1-164.882.5000111A144 M145 S146 H150 R151 Q152 L221A144-L148 PolarHBondContact O-N 3.29Å; M145-L148 WeakPolarHBondContact O-CB 3.43Å; M145-L148 PolarHBondContact O-N 2.82Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 3.05Å; L148-H150 VanDerWaalsContact C-N 3.29Å; L148-H150 PolarHBondContact O-N 3.24Å; L148-R151 WeakPolarHBondContact O-CB 3.46Å; L148-R151 PolarHBondContact O-N 3.44Å; L148-R151 VanDerWaalsContact O-N 3.17Å; L148-Q152 PolarHBondContact O-N 3.37Å; L148-L221 HydrophobicContact CD2-CD1 3.32Å
149L95.4Very high95.7Very high65 Ų6581.6 Ų81.634%0.3440%0.401SS..Hα-helixtrans-60.4-41.2176.9-70170.4000111.2M145 S146 R151 Q152 V153 L218 L221M145-L149 WeakPolarHBondContact O-CG 3.49Å; M145-L149 PolarHBondContact O-N 3.03Å; S146-L149 PolarHBondContact O-N 2.99Å; L149-R151 PolarHBondContact O-N 2.86Å; L149-Q152 WeakPolarHBondContact O-CB 3.39Å; L149-Q152 PolarHBondContact O-N 3.49Å; L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 3.4Å; L149-L218 HydrophobicContact CD1-CD2 4.37Å; L149-L221 HydrophobicContact CD1-CD2 3.97Å; L149-L221 HydrophobicContact CD2-CD2 3.82Å; L149-L221 HydrophobicContact CG-CD2 3.74Å
150H94.4Very high95.9Very high112 Ų11282.3 Ų82.352%0.51940%0.402SS..Hα-helixtrans-60.8-46.5174.8-17656.3000111.6S146 L148 Q152 V153 E154S146-H150 VanDerWaalsContact O-CB 3.32Å; S146-H150 WeakPolarHBondContact O-CB 3.2Å; S146-H150 PolarHBondContact O-N 3.03Å; L148-H150 VanDerWaalsContact C-N 3.29Å; L148-H150 PolarHBondContact O-N 3.24Å; H150-Q152 VanDerWaalsContact C-N 3.3Å; H150-Q152 PolarHBondContact O-N 2.91Å; H150-V153 WeakPolarHBondContact O-CB 3.45Å; H150-V153 PolarHBondContact O-N 2.91Å; H150-V153 VanDerWaalsContact O-N 3.12Å; H150-E154 IonicContact CE1-OE1 3.68Å; H150-E154 WeakPolarHBondContact O-CG 3.37Å; H150-E154 PolarHBondContact O-N 2.79Å
151R95.9Very high96Very high147 Ų14778.2 Ų78.256%0.55540%0.395SS*.Hα-helixtrans-60.1-39174.8-74.5177.2177.6-173.1-5113R147 L148 L149 V153 E154 E155R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.47Å; R147-R151 VanDerWaalsContact O-N 3.13Å; L148-R151 WeakPolarHBondContact O-CB 3.46Å; L148-R151 PolarHBondContact O-N 3.44Å; L148-R151 VanDerWaalsContact O-N 3.17Å; L149-R151 PolarHBondContact O-N 2.86Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.85Å; R151-E154 WeakPolarHBondContact O-CB 3.26Å; R151-E154 PolarHBondContact O-N 2.93Å; R151-E155 WeakPolarHBondContact O-CG 3.49Å; R151-E155 PolarHBondContact O-N 2.85Å
152Q95.8Very high96.2Very high101 Ų10185.1 Ų85.147%0.47242%0.421SS..Hα-helixtrans-61-40.8175.5-175-179.8-0.100111.4L148 L149 H150 E155 L156L148-Q152 PolarHBondContact O-N 3.37Å; L149-Q152 WeakPolarHBondContact O-CB 3.39Å; L149-Q152 PolarHBondContact O-N 3.49Å; H150-Q152 VanDerWaalsContact C-N 3.3Å; H150-Q152 PolarHBondContact O-N 2.91Å; Q152-E155 PolarHBondContact O-N 2.93Å; Q152-L156 HydrophobicContact CG-CD1 4.17Å; Q152-L156 WeakPolarHBondContact O-CB 2.98Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 2.84Å
153V95.5Very high96.3Very high71 Ų7186.2 Ų86.243%0.4342%0.423SS..Hα-helixtrans-63.8-40.4174.3173.10000111.4L149 H150 R151 G157L149-V153 WeakPolarHBondContact O-CG2 3.44Å; L149-V153 PolarHBondContact O-N 3.4Å; H150-V153 WeakPolarHBondContact O-CB 3.45Å; H150-V153 PolarHBondContact O-N 2.91Å; H150-V153 VanDerWaalsContact O-N 3.12Å; R151-V153 VanDerWaalsContact C-N 3.3Å; R151-V153 PolarHBondContact O-N 2.85Å; V153-G157 PolarHBondContact O-N 3.16Å
154E95.5Very high96.4Very high61 Ų6182.6 Ų82.629%0.28540%0.404SS..Hα-helixtrans-61-50.9175.4-61.7-65.3107.300111.7H150 R151 L156 G157 E158 K189H150-E154 IonicContact CE1-OE1 3.68Å; H150-E154 WeakPolarHBondContact O-CG 3.37Å; H150-E154 PolarHBondContact O-N 2.79Å; R151-E154 WeakPolarHBondContact O-CB 3.26Å; R151-E154 PolarHBondContact O-N 2.93Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.3Å; E154-G157 WeakPolarHBondContact O-CA 3.42Å; E154-G157 PolarHBondContact O-N 3.11Å; E154-G157 VanDerWaalsContact O-N 3.09Å; E154-E158 PolarHBondContact O-N 2.89Å; E154-K189 WeakPolarHBondContact OE1-CE 3.49Å; E154-K189 IonicContact OE1-NZ 2.74Å; E154-K189 PolarHBondContact OE1-NZ 2.95Å; E154-K189 IonicContact OE2-NZ 2.59Å; E154-K189 PolarHBondContact OE2-NZ 2.94Å
155E97.2Very high96.5Very high124 Ų12487.4 Ų87.458%0.57942%0.421SS*.Hα-helixtrans-62.2-38.7-179.9-72173.9-167.500112.2R151 Q152 E158 L159R151-E155 WeakPolarHBondContact O-CG 3.49Å; R151-E155 PolarHBondContact O-N 2.85Å; Q152-E155 PolarHBondContact O-N 2.93Å; E155-E158 PolarHBondContact O-N 3.37Å; E155-L159 WeakPolarHBondContact O-CB 3.34Å; E155-L159 PolarHBondContact O-N 3.38Å
156L97.8Very high96.6Very high90 Ų9090.9 Ų90.947%0.47144%0.437SS..Hα-helixtrans-66.1-39.3173.5-73171.5000111.7Q152 E154 L159 L160Q152-L156 HydrophobicContact CG-CD1 4.17Å; Q152-L156 WeakPolarHBondContact O-CB 2.98Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 2.84Å; E154-L156 VanDerWaalsContact C-N 3.33Å; E154-L156 PolarHBondContact O-N 3.3Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.17Å
157G96.2Very high96.6Very high8 Ų890.1 Ų90.18%0.08243%0.427CS..Hα-helixtrans-61.6-43174.800000112.7V153 E154 L159 L160 A161V153-G157 PolarHBondContact O-N 3.16Å; E154-G157 WeakPolarHBondContact O-CA 3.42Å; E154-G157 PolarHBondContact O-N 3.11Å; E154-G157 VanDerWaalsContact O-N 3.09Å; G157-L159 VanDerWaalsContact C-N 3.35Å; G157-L160 PolarHBondContact O-N 3.12Å; G157-A161 PolarHBondContact O-N 3.02Å
158E96.6Very high96.6Very high120 Ų12086.1 Ų86.156%0.56142%0.415SS*.Hα-helixtrans-66.2-35.5174.6-69.2178.3-177.300112.6E154 E155 R162E154-E158 PolarHBondContact O-N 2.89Å; E155-E158 PolarHBondContact O-N 3.37Å; E158-R162 WeakPolarHBondContact O-CG 3.33Å; E158-R162 PolarHBondContact O-N 3.37Å; E158-R162 VanDerWaalsContact O-N 3.13Å; E158-R162 PolarHBondContact O-NE 3.02Å
159L98.1Very high96.7Very high82 Ų8286.3 Ų86.343%0.42942%0.417SS..Hα-helixtrans-65.1-42.3174.8-177.963000111.7E155 L156 G157 R162 K163E155-L159 WeakPolarHBondContact O-CB 3.34Å; E155-L159 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.91Å; G157-L159 VanDerWaalsContact C-N 3.35Å; L159-R162 PolarHBondContact O-N 2.79Å; L159-K163 WeakPolarHBondContact O-CG 3.17Å; L159-K163 PolarHBondContact O-N 3.16Å; L159-K163 VanDerWaalsContact O-N 3.1Å
160L98.1Very high96.7Very high79 Ų7989.5 Ų89.541%0.41443%0.425SS..Hα-helixtrans-64.6-43.4176.4-71.3170.9000111.6L156 G157 R162 K163 D164 F187L156-L160 WeakPolarHBondContact O-CG 3.43Å; L156-L160 PolarHBondContact O-N 3.17Å; G157-L160 PolarHBondContact O-N 3.12Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.2Å; L160-K163 WeakPolarHBondContact O-CA 3.11Å; L160-K163 WeakPolarHBondContact O-CB 3.5Å; L160-K163 PolarHBondContact O-N 3.45Å; L160-D164 PolarHBondContact O-N 2.89Å; L160-F187 HydrophobicContact CB-CB 4.15Å; L160-F187 HydrophobicContact CB-CD1 3.73Å; L160-F187 HydrophobicContact CB-CE1 4.28Å; L160-F187 HydrophobicContact CB-CG 3.91Å; L160-F187 HydrophobicContact CD1-CD1 3.99Å; L160-F187 HydrophobicContact CD1-CD2 3.75Å; L160-F187 HydrophobicContact CD1-CE1 3.96Å; L160-F187 HydrophobicContact CD1-CE2 3.72Å; L160-F187 HydrophobicContact CD1-CG 3.89Å; L160-F187 HydrophobicContact CD1-CZ 3.82Å
161A96.5Very high96.7Very high43 Ų4388.3 Ų88.336%0.35542%0.416SS..Hα-helixtrans-58.6-44.3175.900000112.3G157 K163 D164 E165G157-A161 PolarHBondContact O-N 3.02Å; A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 2.6Å; A161-D164 PolarHBondContact O-N 2.82Å; A161-E165 WeakPolarHBondContact O-CG 3.34Å; A161-E165 PolarHBondContact O-N 2.9Å
162R97.9Very high96.7Very high144 Ų14487.8 Ų87.854%0.54342%0.42SS..Hα-helixtrans-62.4-33.3174.7-74.6-177.6-70.1-174.9-3.4112.9E158 L159 L160 E166E158-R162 WeakPolarHBondContact O-CG 3.33Å; E158-R162 PolarHBondContact O-N 3.37Å; E158-R162 VanDerWaalsContact O-N 3.13Å; E158-R162 PolarHBondContact O-NE 3.02Å; L159-R162 PolarHBondContact O-N 2.79Å; L160-R162 VanDerWaalsContact C-N 3.34Å; L160-R162 PolarHBondContact O-N 3.2Å; R162-E166 WeakPolarHBondContact O-CB 3.46Å; R162-E166 PolarHBondContact O-N 3.45Å; R162-E166 VanDerWaalsContact O-N 3.08Å
163K98.1Very high96.7Very high100 Ų10088.6 Ų88.644%0.43543%0.427SS..Hα-helixtrans-71.9-36.1175.5-75.5-72.5169.8-160.20112.1L159 L160 A161 E166 I167L159-K163 WeakPolarHBondContact O-CG 3.17Å; L159-K163 PolarHBondContact O-N 3.16Å; L159-K163 VanDerWaalsContact O-N 3.1Å; L160-K163 WeakPolarHBondContact O-CA 3.11Å; L160-K163 WeakPolarHBondContact O-CB 3.5Å; L160-K163 PolarHBondContact O-N 3.45Å; A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 2.6Å; K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE1 2.69Å; K163-E166 IonicContact NZ-OE2 3.47Å; K163-E166 PolarHBondContact NZ-OE2 3.46Å; K163-E166 PolarHBondContact O-N 3.43Å; K163-I167 WeakPolarHBondContact O-CD1 3.38Å; K163-I167 VanDerWaalsContact O-CG1 3.25Å; K163-I167 WeakPolarHBondContact O-CG1 3.4Å; K163-I167 PolarHBondContact O-N 2.8Å
164D98Very high96.6Very high29 Ų2988 Ų8816%0.15544%0.436CS..Hα-helixtrans-66.2-40.2173.2-73.5-30.3000111.9L160 A161 I167 Q168 V186 F187L160-D164 PolarHBondContact O-N 2.89Å; A161-D164 PolarHBondContact O-N 2.82Å; D164-I167 PolarHBondContact O-N 2.99Å; D164-Q168 VanDerWaalsContact O-CB 3.32Å; D164-Q168 WeakPolarHBondContact O-CB 3.28Å; D164-Q168 PolarHBondContact O-N 3.34Å; D164-V186 HydrophobicContact CB-CG1 4.49Å; D164-F187 VanDerWaalsContact OD2-CB 3.26Å; D164-F187 WeakPolarHBondContact OD2-CB 3.29Å; D164-F187 PolarHBondContact OD2-N 3.38Å
165E97.3Very high96.5Very high136 Ų13687.5 Ų87.564%0.63644%0.442SS*.Hα-helixtrans-60-44.4172.3-72.2173.4-178.200111.7A161 Q168 D169A161-E165 WeakPolarHBondContact O-CG 3.34Å; A161-E165 PolarHBondContact O-N 2.9Å; E165-Q168 PolarHBondContact O-N 3.28Å; E165-D169 PolarHBondContact O-N 3.17Å
166E97.6Very high96.2Very high78 Ų7887.9 Ų87.936%0.36445%0.453SS..Hα-helixtrans-61.8-44.1176.1-173.8-175.7161.600111.8R162 K163 Q168 D169 Y170R162-E166 WeakPolarHBondContact O-CB 3.46Å; R162-E166 PolarHBondContact O-N 3.45Å; R162-E166 VanDerWaalsContact O-N 3.08Å; K163-E166 WeakPolarHBondContact CD-OE2 3.49Å; K163-E166 IonicContact NZ-OE1 2.69Å; K163-E166 IonicContact NZ-OE2 3.47Å; K163-E166 PolarHBondContact NZ-OE2 3.46Å; K163-E166 PolarHBondContact O-N 3.43Å; E166-Q168 VanDerWaalsContact C-N 3.3Å; E166-Q168 PolarHBondContact O-N 3.37Å; E166-D169 PolarHBondContact O-N 3.17Å; E166-Y170 HydrophobicContact CG-CD2 4.24Å; E166-Y170 HydrophobicContact CG-CE2 3.74Å; E166-Y170 WeakPolarHBondContact O-CD2 3.2Å; E166-Y170 PolarHBondContact O-N 3.43Å; E166-Y170 VanDerWaalsContact O-N 3.11Å
167I96.3Very high95.9Very high58 Ų5887.3 Ų87.330%0.29745%0.45SS..Hα-helixtrans-63.1-39.7176-69.9163.8000111K163 D164 Y170 R171K163-I167 WeakPolarHBondContact O-CD1 3.38Å; K163-I167 VanDerWaalsContact O-CG1 3.25Å; K163-I167 WeakPolarHBondContact O-CG1 3.4Å; K163-I167 PolarHBondContact O-N 2.8Å; D164-I167 PolarHBondContact O-N 2.99Å; I167-Y170 PolarHBondContact O-N 3.16Å; I167-R171 WeakPolarHBondContact O-CG 3.38Å; I167-R171 PolarHBondContact O-N 3.4Å
168Q95.7Very high95.8Very high83 Ų8392.6 Ų92.639%0.38849%0.486SS..Hα-helixtrans-66.9-44.1179.1-176.859.122.700111.4D164 E165 E166 Y170 R171 E172D164-Q168 VanDerWaalsContact O-CB 3.32Å; D164-Q168 WeakPolarHBondContact O-CB 3.28Å; D164-Q168 PolarHBondContact O-N 3.34Å; E165-Q168 PolarHBondContact O-N 3.28Å; E166-Q168 VanDerWaalsContact C-N 3.3Å; E166-Q168 PolarHBondContact O-N 3.37Å; Q168-Y170 VanDerWaalsContact C-N 3.32Å; Q168-Y170 PolarHBondContact O-N 3.14Å; Q168-R171 WeakPolarHBondContact O-CB 3.47Å; Q168-R171 PolarHBondContact O-N 3.15Å; Q168-R171 VanDerWaalsContact O-N 3.07Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.17Å
169D97.4Very high95.7Very high82 Ų8293.6 Ų93.644%0.43948%0.484SS..Hα-helixtrans-58.1-42.5174.5178.264.1000111.7E165 E166 R171 E172 N173E165-D169 PolarHBondContact O-N 3.17Å; E166-D169 PolarHBondContact O-N 3.17Å; D169-R171 VanDerWaalsContact C-N 3.3Å; D169-R171 PolarHBondContact O-N 2.81Å; D169-E172 PolarHBondContact O-N 3.39Å; D169-N173 WeakPolarHBondContact O-CB 3.43Å; D169-N173 VanDerWaalsContact O-CG 3.3Å; D169-N173 PolarHBondContact O-N 2.72Å; D169-N173 PolarHBondContact O-ND2 2.66Å; D169-N173 PolarHBondContact OD1-ND2 2.94Å; D169-N173 PolarHBondContact OD2-ND2 2.58Å; D169-N173 VanDerWaalsContact OD2-ND2 3.16Å
170Y95.9Very high95.4Very high131 Ų13197.4 Ų97.451%0.51450%0.5SS..Hα-helixtrans-58.1-42.4174.1-79-56.4000112.5E166 I167 Q168 N173 G174 A175E166-Y170 HydrophobicContact CG-CD2 4.24Å; E166-Y170 HydrophobicContact CG-CE2 3.74Å; E166-Y170 WeakPolarHBondContact O-CD2 3.2Å; E166-Y170 PolarHBondContact O-N 3.43Å; E166-Y170 VanDerWaalsContact O-N 3.11Å; I167-Y170 PolarHBondContact O-N 3.16Å; Q168-Y170 VanDerWaalsContact C-N 3.32Å; Q168-Y170 PolarHBondContact O-N 3.14Å; Y170-N173 PolarHBondContact O-N 3.43Å; Y170-G174 PolarHBondContact O-N 2.93Å; Y170-A175 WeakPolarHBondContact O-CA 3.21Å; Y170-A175 WeakPolarHBondContact O-CB 3.44Å; Y170-A175 PolarHBondContact O-N 3.37Å
171R93.1Very high95.2Very high87 Ų87103 Ų10333%0.32852%0.516SS..Hα-helixtrans-67.1-42.3178.5-69.4173.5179.3168.63.2111.9I167 Q168 D169 N173 G174I167-R171 WeakPolarHBondContact O-CG 3.38Å; I167-R171 PolarHBondContact O-N 3.4Å; Q168-R171 WeakPolarHBondContact O-CB 3.47Å; Q168-R171 PolarHBondContact O-N 3.15Å; Q168-R171 VanDerWaalsContact O-N 3.07Å; D169-R171 VanDerWaalsContact C-N 3.3Å; D169-R171 PolarHBondContact O-N 2.81Å; R171-N173 VanDerWaalsContact C-N 3.27Å; R171-N173 PolarHBondContact O-N 2.82Å; R171-G174 PolarHBondContact O-N 3.47Å
172E95.6Very high95.1Very high137 Ų137105.5 Ų105.564%0.6452%0.523SS*.Hα-helixtrans-64.8-33.7178.1-71.5176.6-171.600111.8Q168 D169 G174Q168-E172 WeakPolarHBondContact CG-OE1 3.29Å; Q168-E172 PolarHBondContact NE2-OE1 3.27Å; Q168-E172 WeakPolarHBondContact O-CG 3.46Å; Q168-E172 PolarHBondContact O-N 3.17Å; D169-E172 PolarHBondContact O-N 3.39Å; E172-G174 PolarHBondContact O-N 2.82Å
173N96.3Very high94.9Very high117 Ų117103.9 Ų103.963%0.62652%0.521SS*.THydrogen-bonded Turntrans-80.69.3173.6-67-43.2000113.8D169 Y170 R171D169-N173 WeakPolarHBondContact O-CB 3.43Å; D169-N173 VanDerWaalsContact O-CG 3.3Å; D169-N173 PolarHBondContact O-N 2.72Å; D169-N173 PolarHBondContact O-ND2 2.66Å; D169-N173 PolarHBondContact OD1-ND2 2.94Å; D169-N173 PolarHBondContact OD2-ND2 2.58Å; D169-N173 VanDerWaalsContact OD2-ND2 3.16Å; Y170-N173 PolarHBondContact O-N 3.43Å; R171-N173 VanDerWaalsContact C-N 3.27Å; R171-N173 PolarHBondContact O-N 2.82Å
174G93.6Very high94.8Very high59 Ų59103.1 Ų103.161%0.60853%0.525SS*.THydrogen-bonded Turntrans83.81017300000115.2Y170 R171 E172Y170-G174 PolarHBondContact O-N 2.93Å; R171-G174 PolarHBondContact O-N 3.47Å; E172-G174 PolarHBondContact O-N 2.82Å
175A92.8Very high94.7Very high51 Ų51109 Ų10942%0.42156%0.557SS.*  trans-68.8135.2172.500000110.3Y170Y170-A175 WeakPolarHBondContact O-CA 3.21Å; Y170-A175 WeakPolarHBondContact O-CB 3.44Å; Y170-A175 PolarHBondContact O-N 3.37Å
176T91.3Very high94.6Very high132 Ų132107.7 Ų107.781%0.8156%0.558SS**  trans-115.8141.4176.5500000110S178T176-S178 PolarHBondContact O-N 3.04Å
177L92.8Very high94.6Very high77 Ų77106.8 Ų106.840%0.40355%0.552SS.*  trans-70.7126.8176.3-96.7129000109.8R179 L182 Q183L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 WeakPolarHBondContact CD2-O 3.12Å; L177-R179 PolarHBondContact O-N 3.3Å; L177-L182 HydrophobicContact CD2-CB 3.91Å; L177-Q183 HydrophobicContact CD1-CB 4.3Å
178S92.4Very high94.5Very high119 Ų119107.8 Ų107.883%0.83256%0.558SS**SBendtrans-71.9-21.8173.658.60000113.1T176T176-S178 PolarHBondContact O-N 3.04Å
179R95Very high94.4Very high141 Ų141107.1 Ų107.153%0.53255%0.554SS.*  trans-136.3102-179.5-64.3178.7177.7-174.1-2.8109.6L177 R181 L182L177-R179 VanDerWaalsContact C-N 3.26Å; L177-R179 WeakPolarHBondContact CD2-O 3.12Å; L177-R179 PolarHBondContact O-N 3.3Å; R179-R181 PolarHBondContact O-N 3.31Å; R179-L182 HydrophobicContact CB-CD1 3.92Å; R179-L182 HydrophobicContact CB-CG 3.99Å; R179-L182 WeakPolarHBondContact O-CB 3.45Å; R179-L182 PolarHBondContact O-N 2.97Å
180E91.3Very high94.2Very high163 Ų163109.6 Ų109.676%0.76256%0.563SS**G310 helixtrans-56.5-34.8-177.2-68.5-17917500113.4L182 Q183E180-L182 PolarHBondContact O-N 2.92Å; E180-Q183 WeakPolarHBondContact O-CB 3.36Å; E180-Q183 PolarHBondContact O-N 3.26Å
181R94.6Very high94.1Very high197 Ų197108.4 Ų108.474%0.74357%0.565SS**G310 helixtrans-60.5-12.5177.571.5179-179.389.7-6.4115.4R179R179-R181 PolarHBondContact O-N 3.31Å
182L94.7Very high94.2Very high95 Ų95109.8 Ų109.850%0.49757%0.571SS.*G310 helixtrans-88.4-9175.9-61.3-179.4000112.4L177 R179 E180 T184L177-L182 HydrophobicContact CD2-CB 3.91Å; R179-L182 HydrophobicContact CB-CD1 3.92Å; R179-L182 HydrophobicContact CB-CG 3.99Å; R179-L182 WeakPolarHBondContact O-CB 3.45Å; R179-L182 PolarHBondContact O-N 2.97Å; E180-L182 PolarHBondContact O-N 2.92Å; L182-T184 PolarHBondContact O-N 3Å
183Q93.7Very high94.1Very high109 Ų109106 Ų10651%0.50956%0.558SS.*PPolyproline II helixtrans-67.1124.8176-178.7168.1-10.400110L177 E180L177-Q183 HydrophobicContact CD1-CB 4.3Å; E180-Q183 WeakPolarHBondContact O-CB 3.36Å; E180-Q183 PolarHBondContact O-N 3.26Å
184T95.8Very high93.9Very high85 Ų85104.8 Ų104.852%0.52155%0.548SS..PPolyproline II helixtrans-97.7152.5170.9550000110.2L182L182-T184 PolarHBondContact O-N 3Å
185D95.1Very high94Very high153 Ų153104.9 Ų104.982%0.81854%0.535SS*.PPolyproline II helixtrans-69.5151.9167.4-62.8-43.5000110.3F187D185-F187 PolarHBondContact O-N 3.17Å
186V96Very high94Very high108 Ų108107 Ų10766%0.65553%0.534SS*.PPolyproline II helixtrans-62.1129.7175.51790000109.1D164 N188D164-V186 HydrophobicContact CB-CG1 4.49Å; V186-N188 PolarHBondContact O-N 3.42Å
187F97.1Very high94Very high58 Ų58105 Ų10525%0.25452%0.518SS..PPolyproline II helixtrans-68.2121.6-177.2179.3-108.5000111.1L160 D164 D185 K189 Y192L160-F187 HydrophobicContact CB-CB 4.15Å; L160-F187 HydrophobicContact CB-CD1 3.73Å; L160-F187 HydrophobicContact CB-CE1 4.28Å; L160-F187 HydrophobicContact CB-CG 3.91Å; L160-F187 HydrophobicContact CD1-CD1 3.99Å; L160-F187 HydrophobicContact CD1-CD2 3.75Å; L160-F187 HydrophobicContact CD1-CE1 3.96Å; L160-F187 HydrophobicContact CD1-CE2 3.72Å; L160-F187 HydrophobicContact CD1-CG 3.89Å; L160-F187 HydrophobicContact CD1-CZ 3.82Å; D164-F187 VanDerWaalsContact OD2-CB 3.26Å; D164-F187 WeakPolarHBondContact OD2-CB 3.29Å; D164-F187 PolarHBondContact OD2-N 3.38Å; D185-F187 PolarHBondContact O-N 3.17Å; F187-K189 HydrophobicContact CE1-CB 3.77Å; F187-K189 HydrophobicContact CE1-CG 4.38Å; F187-K189 HydrophobicContact CZ-CB 4.19Å; F187-Y192 HydrophobicContact CE2-CD1 4.46Å; F187-Y192 HydrophobicContact CE2-CD2 4.39Å; F187-Y192 HydrophobicContact CE2-CG 4.01Å; F187-Y192 HydrophobicContact CZ-CD1 4.48Å; F187-Y192 HydrophobicContact CZ-CG 4.42Å
188N95.1Very high94Very high79 Ų79108 Ų10842%0.42253%0.53SS..  trans-113.3105.1171.4-173.9-42.1000110V186 Q190 L191 Y192V186-N188 PolarHBondContact O-N 3.42Å; N188-Q190 VanDerWaalsContact C-N 3.32Å; N188-Q190 PolarHBondContact O-N 3.49Å; N188-Q190 PolarHBondContact OD1-N 3.22Å; N188-L191 HydrophobicContact CB-CB 4.12Å; N188-L191 HydrophobicContact CB-CD1 3.98Å; N188-L191 HydrophobicContact CB-CG 4.25Å; N188-L191 PolarHBondContact O-N 2.86Å; N188-L191 PolarHBondContact OD1-N 3.22Å; N188-Y192 WeakPolarHBondContact O-CB 3.14Å; N188-Y192 PolarHBondContact O-N 3.24Å
189K93.4Very high94Very high70 Ų70108.5 Ų108.530%0.30452%0.517SS..Hα-helixtrans-58.7-39.2-177.6-176.3-180172.7-169.50113.7E154 F187 T193E154-K189 WeakPolarHBondContact OE1-CE 3.49Å; E154-K189 IonicContact OE1-NZ 2.74Å; E154-K189 PolarHBondContact OE1-NZ 2.95Å; E154-K189 IonicContact OE2-NZ 2.59Å; E154-K189 PolarHBondContact OE2-NZ 2.94Å; F187-K189 HydrophobicContact CE1-CB 3.77Å; F187-K189 HydrophobicContact CE1-CG 4.38Å; F187-K189 HydrophobicContact CZ-CB 4.19Å; K189-T193 WeakPolarHBondContact O-CB 3.49Å; K189-T193 PolarHBondContact O-N 2.8Å; K189-T193 PolarHBondContact O-OG1 3.24Å
190Q93.2Very high93.7Very high134 Ų134104.7 Ų104.763%0.62651%0.507SS*.Hα-helixtrans-69.4-50.8-177.5-178174.9-7.500110.4N188 Y192 T193 E194N188-Q190 VanDerWaalsContact C-N 3.32Å; N188-Q190 PolarHBondContact O-N 3.49Å; N188-Q190 PolarHBondContact OD1-N 3.22Å; Q190-Y192 VanDerWaalsContact C-N 3.31Å; Q190-Y192 PolarHBondContact O-N 3.47Å; Q190-T193 PolarHBondContact O-N 2.84Å; Q190-T193 VanDerWaalsContact O-N 3.14Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.41Å; Q190-E194 PolarHBondContact NE2-OE1 3.02Å; Q190-E194 WeakPolarHBondContact O-CG 3.3Å; Q190-E194 PolarHBondContact O-N 3.12Å
191L94.5Very high93.3Very high106 Ų106100.4 Ų100.456%0.55549%0.489SS*.Hα-helixtrans-59.3-43176.5-69176.8000111.5N188 T193 E194 D195N188-L191 HydrophobicContact CB-CB 4.12Å; N188-L191 HydrophobicContact CB-CD1 3.98Å; N188-L191 HydrophobicContact CB-CG 4.25Å; N188-L191 PolarHBondContact O-N 2.86Å; N188-L191 PolarHBondContact OD1-N 3.22Å; L191-T193 PolarHBondContact O-N 2.93Å; L191-E194 PolarHBondContact O-N 3.08Å; L191-D195 WeakPolarHBondContact O-CB 3.2Å; L191-D195 PolarHBondContact O-N 3.27Å
192Y94.2Very high92.9Very high116 Ų11694.3 Ų94.346%0.45548%0.475SS..Hα-helixtrans-58.5-46.4175174.6-96.8000111.9F187 N188 Q190 E194 D195 F196F187-Y192 HydrophobicContact CE2-CD1 4.46Å; F187-Y192 HydrophobicContact CE2-CD2 4.39Å; F187-Y192 HydrophobicContact CE2-CG 4.01Å; F187-Y192 HydrophobicContact CZ-CD1 4.48Å; F187-Y192 HydrophobicContact CZ-CG 4.42Å; N188-Y192 WeakPolarHBondContact O-CB 3.14Å; N188-Y192 PolarHBondContact O-N 3.24Å; Q190-Y192 VanDerWaalsContact C-N 3.31Å; Q190-Y192 PolarHBondContact O-N 3.47Å; Y192-E194 PolarHBondContact O-N 2.89Å; Y192-D195 PolarHBondContact O-N 2.87Å; Y192-F196 HydrophobicContact CE1-CB 4.38Å; Y192-F196 WeakPolarHBondContact O-CB 3.39Å; Y192-F196 PolarHBondContact O-N 3.24Å
193T92.4Very high92.3Very high58 Ų5894.2 Ų94.236%0.35648%0.479SS..Hα-helixtrans-63-45.4-178.6-57.20000111.4K189 Q190 L191 I197K189-T193 WeakPolarHBondContact O-CB 3.49Å; K189-T193 PolarHBondContact O-N 2.8Å; K189-T193 PolarHBondContact O-OG1 3.24Å; Q190-T193 PolarHBondContact O-N 2.84Å; Q190-T193 VanDerWaalsContact O-N 3.14Å; L191-T193 PolarHBondContact O-N 2.93Å; T193-I197 HydrophobicContact CG2-CD1 4.06Å; T193-I197 VanDerWaalsContact O-CG1 3.3Å; T193-I197 WeakPolarHBondContact O-CG1 3.45Å; T193-I197 PolarHBondContact O-N 3.35Å; T193-I197 VanDerWaalsContact O-N 3.1Å
194E93.9Very high91.3Very high90 Ų9095.4 Ų95.442%0.42149%0.487SS..Hα-helixtrans-62.5-49.1178.3-70.1171.6-168.100111.1Q190 L191 Y192 I197 Q198Q190-E194 WeakPolarHBondContact CG-OE1 3.41Å; Q190-E194 PolarHBondContact NE2-OE1 3.02Å; Q190-E194 WeakPolarHBondContact O-CG 3.3Å; Q190-E194 PolarHBondContact O-N 3.12Å; L191-E194 PolarHBondContact O-N 3.08Å; Y192-E194 PolarHBondContact O-N 2.89Å; E194-I197 PolarHBondContact O-N 2.81Å; E194-Q198 VanDerWaalsContact O-CG 3.29Å; E194-Q198 WeakPolarHBondContact O-CG 3.27Å; E194-Q198 PolarHBondContact O-N 3.33Å
195D94.5Very high89.8Confident62 Ų62100.8 Ų100.833%0.33250%0.498SS..Hα-helixtrans-63.9-42.1179.1-17463.4000112.2L191 Y192 I197 Q198 K199L191-D195 WeakPolarHBondContact O-CB 3.2Å; L191-D195 PolarHBondContact O-N 3.27Å; Y192-D195 PolarHBondContact O-N 2.87Å; D195-I197 PolarHBondContact O-N 3.44Å; D195-Q198 PolarHBondContact O-N 3.2Å; D195-K199 WeakPolarHBondContact O-CB 3.2Å; D195-K199 WeakPolarHBondContact O-CG 3.35Å; D195-K199 PolarHBondContact O-N 3.5Å; D195-K199 WeakPolarHBondContact OD1-CD 3.41Å; D195-K199 WeakPolarHBondContact OD1-CE 3.39Å; D195-K199 IonicContact OD1-NZ 2.81Å; D195-K199 PolarHBondContact OD1-NZ 2.94Å; D195-K199 WeakPolarHBondContact OD2-CD 3.19Å; D195-K199 WeakPolarHBondContact OD2-CE 3.28Å; D195-K199 IonicContact OD2-NZ 2.69Å; D195-K199 PolarHBondContact OD2-NZ 3.2Å
196F92.9Very high88.4Confident94 Ų9497.7 Ų97.741%0.41249%0.488SS..Hα-helixtrans-59.9-47177.5-178-90.7000111.2Y192 N200Y192-F196 HydrophobicContact CE1-CB 4.38Å; Y192-F196 WeakPolarHBondContact O-CB 3.39Å; Y192-F196 PolarHBondContact O-N 3.24Å; F196-N200 VanDerWaalsContact CD2-ND2 3.29Å; F196-N200 WeakPolarHBondContact CD2-ND2 3.22Å; F196-N200 HydrophobicContact CE1-CB 4.36Å; F196-N200 WeakPolarHBondContact CE2-ND2 3.17Å; F196-N200 HydrophobicContact CZ-CB 4.3Å; F196-N200 VanDerWaalsContact O-CB 3.26Å; F196-N200 WeakPolarHBondContact O-CB 3.36Å; F196-N200 PolarHBondContact O-N 3.17Å; F196-N200 PolarHBondContact O-ND2 3.24Å
197I92.1Very high86.6Confident92 Ų9297.3 Ų97.347%0.47248%0.483SS..Hα-helixtrans-63.5-47.3178.2-69167.5000110.3T193 E194 D195 K199 L201T193-I197 HydrophobicContact CG2-CD1 4.06Å; T193-I197 VanDerWaalsContact O-CG1 3.3Å; T193-I197 WeakPolarHBondContact O-CG1 3.45Å; T193-I197 PolarHBondContact O-N 3.35Å; T193-I197 VanDerWaalsContact O-N 3.1Å; E194-I197 PolarHBondContact O-N 2.81Å; D195-I197 PolarHBondContact O-N 3.44Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.26Å; I197-L201 HydrophobicContact CG2-CD2 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.36Å; I197-L201 PolarHBondContact O-N 2.93Å
198Q93.3Very high84.4Confident140 Ų140100 Ų10065%0.65451%0.506SS*.Hα-helixtrans-61.6-41.2-178.4-72.7176.911.200112.3E194 D195 P202E194-Q198 VanDerWaalsContact O-CG 3.29Å; E194-Q198 WeakPolarHBondContact O-CG 3.27Å; E194-Q198 PolarHBondContact O-N 3.33Å; D195-Q198 PolarHBondContact O-N 3.2Å; Q198-P202 WeakPolarHBondContact O-CD 3.47Å
199K91.9Very high82.4Confident128 Ų12898.7 Ų98.756%0.55750%0.503SS*.Hα-helixtrans-80.3-39.3-177.9-70.7175.7176.7160.70113.6D195 I197D195-K199 WeakPolarHBondContact O-CB 3.2Å; D195-K199 WeakPolarHBondContact O-CG 3.35Å; D195-K199 PolarHBondContact O-N 3.5Å; D195-K199 WeakPolarHBondContact OD1-CD 3.41Å; D195-K199 WeakPolarHBondContact OD1-CE 3.39Å; D195-K199 IonicContact OD1-NZ 2.81Å; D195-K199 PolarHBondContact OD1-NZ 2.94Å; D195-K199 WeakPolarHBondContact OD2-CD 3.19Å; D195-K199 WeakPolarHBondContact OD2-CE 3.28Å; D195-K199 IonicContact OD2-NZ 2.69Å; D195-K199 PolarHBondContact OD2-NZ 3.2Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.26Å
200N87.3Confident80.6Confident61 Ų61101.2 Ų101.233%0.32652%0.52SS..Hα-helixtrans-96.5-27.4-169.9-64.9-85000113.9F196 V203 L204F196-N200 VanDerWaalsContact CD2-ND2 3.29Å; F196-N200 WeakPolarHBondContact CD2-ND2 3.22Å; F196-N200 HydrophobicContact CE1-CB 4.36Å; F196-N200 WeakPolarHBondContact CE2-ND2 3.17Å; F196-N200 HydrophobicContact CZ-CB 4.3Å; F196-N200 VanDerWaalsContact O-CB 3.26Å; F196-N200 WeakPolarHBondContact O-CB 3.36Å; F196-N200 PolarHBondContact O-N 3.17Å; F196-N200 PolarHBondContact O-ND2 3.24Å; N200-V203 WeakPolarHBondContact O-CB 3.2Å; N200-V203 PolarHBondContact O-N 2.94Å; N200-V203 VanDerWaalsContact O-N 3.13Å; N200-L204 WeakPolarHBondContact O-CG 3.37Å; N200-L204 PolarHBondContact O-N 3.34Å
201L84.8Confident79.1Confident73 Ų7399 Ų9938%0.38252%0.516SS..Hα-helixtrans-59.6-40.2-179.7-170.771.1000113.3I197 V203 L204 R205I197-L201 HydrophobicContact CG2-CD2 4.46Å; I197-L201 WeakPolarHBondContact O-CB 3.36Å; I197-L201 PolarHBondContact O-N 2.93Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-L204 PolarHBondContact O-N 3.14Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 3.32Å
202P85.8Confident77.6Confident69 Ų6995 Ų9545%0.44850%0.496SS..Hα-helixtrans-65.2-36.5174.9-22.135.1000113Q198 R205 S206Q198-P202 WeakPolarHBondContact O-CD 3.47Å; P202-R205 PolarHBondContact O-N 3.47Å; P202-S206 WeakPolarHBondContact O-CB 3.46Å; P202-S206 PolarHBondContact O-N 2.98Å; P202-S206 VanDerWaalsContact O-N 3.09Å; P202-S206 PolarHBondContact O-OG 3.25Å
203V80.8Confident76.3Confident94 Ų9492.6 Ų92.657%0.5751%0.507SS*.Hα-helixtrans-64.4-43.7178.3-178.80000110.4N200 L201 R205 S206 D207N200-V203 WeakPolarHBondContact O-CB 3.2Å; N200-V203 PolarHBondContact O-N 2.94Å; N200-V203 VanDerWaalsContact O-N 3.13Å; L201-V203 VanDerWaalsContact C-N 3.34Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 3.4Å; V203-S206 PolarHBondContact O-N 3.02Å; V203-S206 VanDerWaalsContact O-N 3.15Å; V203-D207 PolarHBondContact O-N 2.99Å; V203-D207 VanDerWaalsContact O-N 3.1Å
204L73.3Confident75.8Confident133 Ų13391.1 Ų91.170%0.69650%0.495SS*.Hα-helixtrans-63-28.7175.9-68.7173.5000113.8N200 L201N200-L204 WeakPolarHBondContact O-CG 3.37Å; N200-L204 PolarHBondContact O-N 3.34Å; L201-L204 PolarHBondContact O-N 3.14Å
205R64.3Low75.3Confident199 Ų19991.1 Ų91.175%0.75150%0.498SS*.Hα-helixtrans-82.6-22.6176.9-71.6179.6178.3173.40.4113.3L201 P202 V203L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 3.32Å; P202-R205 PolarHBondContact O-N 3.47Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 3.4Å
206S65.3Low74.9Confident87 Ų8791.5 Ų91.561%0.60851%0.51SS*.Hα-helixtrans-101.9-8.2-171.7-510000112.6P202 V203 P208P202-S206 WeakPolarHBondContact O-CB 3.46Å; P202-S206 PolarHBondContact O-N 2.98Å; P202-S206 VanDerWaalsContact O-N 3.09Å; P202-S206 PolarHBondContact O-OG 3.25Å; V203-S206 PolarHBondContact O-N 3.02Å; V203-S206 VanDerWaalsContact O-N 3.15Å; S206-P208 WeakPolarHBondContact O-CD 3.22Å; S206-P208 VanDerWaalsContact O-N 3.07Å
207D58.1Low74.7Confident101 Ų10192.3 Ų92.354%0.5452%0.519SS..  trans-62.9109178.9-165.81.1000109.1V203 S209V203-D207 PolarHBondContact O-N 2.99Å; V203-D207 VanDerWaalsContact O-N 3.1Å; D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 VanDerWaalsContact OD1-CB 3.28Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 3.5Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.36Å; D207-S209 PolarHBondContact OD2-OG 3.05Å
208P51.2Low74.6Confident114 Ų11490.3 Ų90.374%0.7451%0.509SS*.  trans-82.210.7177.836.9-31.5000110.5S206 D210S206-P208 WeakPolarHBondContact O-CD 3.22Å; S206-P208 VanDerWaalsContact O-N 3.07Å; P208-D210 PolarHBondContact O-N 3.31Å
209S54.3Low74.4Confident52 Ų5284.4 Ų84.436%0.36448%0.481SS..  trans-58.2115.1177.467.60000109D207 T211D207-S209 PolarHBondContact O-N 3.46Å; D207-S209 VanDerWaalsContact OD1-CB 3.28Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 3.5Å; D207-S209 VanDerWaalsContact OD1-N 3.11Å; D207-S209 PolarHBondContact OD1-OG 3.36Å; D207-S209 PolarHBondContact OD2-OG 3.05Å; S209-T211 PolarHBondContact O-N 3.48Å; S209-T211 PolarHBondContact OG-OG1 2.89Å
210D54.9Low74.4Confident122 Ų12284.8 Ų84.865%0.65249%0.485SS*.SBendtrans-60.6-0.4173.7-77.1-35.5000112.2Q26 P208Q26-D210 WeakPolarHBondContact CB-O 3.49Å; Q26-D210 HydrophobicContact CG-CB 3.92Å; Q26-D210 WeakPolarHBondContact CG-O 3.11Å; Q26-D210 PolarHBondContact OE1-O 3.4Å; P208-D210 PolarHBondContact O-N 3.31Å
211T60.6Low74.7Confident88 Ų8883.3 Ų83.354%0.5448%0.477SS..SBendtrans-86.1125.6176.4530000109.6S209 G213S209-T211 PolarHBondContact O-N 3.48Å; S209-T211 PolarHBondContact OG-OG1 2.89Å; T211-G213 PolarHBondContact O-N 2.97Å
212P63.8Low75.1Confident21 Ų2179.9 Ų79.914%0.13646%0.459CS..  trans-7274.5-176.827.3-34.8000111.6P19 L28 M45 F214P19-P212 HydrophobicContact CB-CG 4.41Å; L28-P212 HydrophobicContact CD1-CB 4.24Å; L28-P212 HydrophobicContact CD1-CG 4.34Å; L28-P212 HydrophobicContact CD2-CB 4.31Å; L28-P212 HydrophobicContact CD2-CG 3.55Å; L28-P212 HydrophobicContact CG-CB 3.96Å; L28-P212 HydrophobicContact CG-CG 3.59Å; M45-P212 HydrophobicContact CG-CB 4.08Å; M45-P212 HydrophobicContact SD-CB 4.47Å; P212-F214 WeakPolarHBondContact O-CA 3.17Å; P212-F214 VanDerWaalsContact O-CB 3.25Å; P212-F214 WeakPolarHBondContact O-CB 3.39Å; P212-F214 PolarHBondContact O-N 2.99Å
213G67.4Low75.3Confident66 Ų6678.1 Ų78.168%0.6845%0.448SS*.SBendtrans45.50.9160.100000120.6T211T211-G213 PolarHBondContact O-N 2.97Å
214F81.1Confident75.9Confident28 Ų2876.6 Ų76.612%0.12345%0.445CS..  trans-125.168.1-161.4-154.5-141.5000109.2W17 L28 L142 M145 P212 L218 Q219 Y222W17-F214 HydrophobicContact CB-CD1 3.82Å; W17-F214 HydrophobicContact CB-CE1 3.84Å; W17-F214 AromaticContact CD1-CE1 3.76Å; W17-F214 HydrophobicContact CG-CD1 4.39Å; W17-F214 HydrophobicContact CG-CE1 4.12Å; L28-F214 HydrophobicContact CD1-CB 4.25Å; L28-F214 HydrophobicContact CD1-CD1 4.25Å; L142-F214 HydrophobicContact CD2-CE2 4.1Å; L142-F214 HydrophobicContact CD2-CZ 4.39Å; M145-F214 HydrophobicContact CE-CE2 3.88Å; M145-F214 HydrophobicContact CE-CZ 4.31Å; M145-F214 HydrophobicContact SD-CE2 4.4Å; M145-F214 HydrophobicContact SD-CZ 4.41Å; P212-F214 WeakPolarHBondContact O-CA 3.17Å; P212-F214 VanDerWaalsContact O-CB 3.25Å; P212-F214 WeakPolarHBondContact O-CB 3.39Å; P212-F214 PolarHBondContact O-N 2.99Å; F214-L218 HydrophobicContact CD2-CB 3.62Å; F214-L218 HydrophobicContact CD2-CD1 4.14Å; F214-L218 HydrophobicContact CE2-CB 3.71Å; F214-Q219 VanDerWaalsContact CD1-CD 3.43Å; F214-Q219 VanDerWaalsContact CE1-CD 3.44Å; F214-Q219 VanDerWaalsContact CE1-NE2 3.29Å; F214-Q219 VanDerWaalsContact CE1-OE1 3.25Å; F214-Q219 PolarHBondContact O-NE2 2.93Å; F214-Y222 HydrophobicContact CE1-CD2 4.29Å; F214-Y222 HydrophobicContact CE1-CG 4.34Å; F214-Y222 AromaticContact CZ-CD2 3.78Å; F214-Y222 HydrophobicContact CZ-CD2 3.78Å; F214-Y222 AromaticContact CZ-CG 3.91Å; F214-Y222 HydrophobicContact CZ-CG 3.91Å
215N83.7Confident76.8Confident90 Ų9071.2 Ų71.248%0.48142%0.418SS..  trans-65.8171.5-175.869.116.5000112.9D217 L218 Q219N215-D217 VanDerWaalsContact C-N 3.27Å; N215-D217 PolarHBondContact O-N 3.37Å; N215-D217 PolarHBondContact OD1-N 3.45Å; N215-L218 PolarHBondContact O-N 3.09Å; N215-L218 VanDerWaalsContact O-N 3.1Å; N215-L218 WeakPolarHBondContact OD1-CB 3.04Å; N215-L218 WeakPolarHBondContact OD1-CG 3.4Å; N215-L218 PolarHBondContact OD1-N 2.98Å; N215-Q219 WeakPolarHBondContact O-CG 3.39Å; N215-Q219 PolarHBondContact O-N 3.45Å
216A85.4Confident78Confident69 Ų6961.7 Ų61.757%0.5738%0.382SS*.Hα-helixtrans-53.7-39.7-175.900000113.8Q219 Q220A216-Q219 WeakPolarHBondContact O-CB 3.21Å; A216-Q219 PolarHBondContact O-N 3.4Å; A216-Q220 WeakPolarHBondContact O-CG 3.34Å; A216-Q220 PolarHBondContact O-N 2.83Å
217D88.4Confident79.1Confident112 Ų11259.7 Ų59.760%0.59937%0.37SS*.Hα-helixtrans-66-43.2179.7-61.1-24.8000111.6N215 Q219 Q220 L221N215-D217 VanDerWaalsContact C-N 3.27Å; N215-D217 PolarHBondContact O-N 3.37Å; N215-D217 PolarHBondContact OD1-N 3.45Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 2.82Å; D217-Q220 PolarHBondContact O-N 2.9Å; D217-L221 PolarHBondContact O-N 2.88Å
218L90.9Very high80.1Confident50 Ų5064.2 Ų64.226%0.26238%0.38SS..Hα-helixtrans-67-33.7175.7-68.2176.9000111.8M145 L149 F214 N215 L221 Y222M145-L218 HydrophobicContact CE-CB 4.28Å; M145-L218 HydrophobicContact CE-CD2 4.2Å; M145-L218 WeakPolarHBondContact CE-O 3.04Å; L149-L218 HydrophobicContact CD1-CD2 4.37Å; F214-L218 HydrophobicContact CD2-CB 3.62Å; F214-L218 HydrophobicContact CD2-CD1 4.14Å; F214-L218 HydrophobicContact CE2-CB 3.71Å; N215-L218 PolarHBondContact O-N 3.09Å; N215-L218 VanDerWaalsContact O-N 3.1Å; N215-L218 WeakPolarHBondContact OD1-CB 3.04Å; N215-L218 WeakPolarHBondContact OD1-CG 3.4Å; N215-L218 PolarHBondContact OD1-N 2.98Å; L218-L221 PolarHBondContact O-N 2.98Å; L218-Y222 WeakPolarHBondContact O-CB 3.36Å; L218-Y222 PolarHBondContact O-N 3.3Å
219Q90.1Very high81.2Confident15 Ų1562 Ų627%0.0736%0.357CS..Hα-helixtrans-64.6-43.3172.5-61.9-64.7-17.100112.2P16 W17 F214 N215 A216 D217 L221 Y222 S223P16-Q219 HydrophobicContact CB-CB 4.22Å; W17-Q219 PolarHBondContact O-NE2 2.83Å; W17-Q219 PolarHBondContact O-OE1 2.8Å; W17-Q219 VanDerWaalsContact O-OE1 3.11Å; F214-Q219 VanDerWaalsContact CD1-CD 3.43Å; F214-Q219 VanDerWaalsContact CE1-CD 3.44Å; F214-Q219 VanDerWaalsContact CE1-NE2 3.29Å; F214-Q219 VanDerWaalsContact CE1-OE1 3.25Å; F214-Q219 PolarHBondContact O-NE2 2.93Å; N215-Q219 WeakPolarHBondContact O-CG 3.39Å; N215-Q219 PolarHBondContact O-N 3.45Å; A216-Q219 WeakPolarHBondContact O-CB 3.21Å; A216-Q219 PolarHBondContact O-N 3.4Å; D217-Q219 VanDerWaalsContact C-N 3.32Å; D217-Q219 PolarHBondContact O-N 2.82Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 2.89Å; Q219-Y222 WeakPolarHBondContact O-CB 3.47Å; Q219-Y222 PolarHBondContact O-N 3.41Å; Q219-S223 PolarHBondContact O-N 3.25Å; Q219-S223 PolarHBondContact O-OG 2.85Å; Q219-S223 VanDerWaalsContact O-OG 3.11Å
220Q90.8Very high82.2Confident137 Ų13759.8 Ų59.864%0.6434%0.342SS*.Hα-helixtrans-60.4-44.8176.5-73-179.50.200110.8A216 D217 S223 A224A216-Q220 WeakPolarHBondContact O-CG 3.34Å; A216-Q220 PolarHBondContact O-N 2.83Å; D217-Q220 PolarHBondContact O-N 2.9Å; Q220-S223 PolarHBondContact O-N 2.96Å; Q220-A224 PolarHBondContact O-N 3.36Å
221L93.2Very high83.1Confident30 Ų3056.3 Ų56.316%0.15733%0.33CS..Hα-helixtrans-63.3-41.5176.1175.158.5000111.9M145 L148 L149 D217 L218 Q219 A224 V225M145-L221 HydrophobicContact CB-CD2 3.99Å; M145-L221 HydrophobicContact CB-CG 4.26Å; M145-L221 HydrophobicContact CE-CB 3.97Å; M145-L221 HydrophobicContact CE-CD2 3.81Å; M145-L221 HydrophobicContact CE-CG 3.77Å; M145-L221 HydrophobicContact CG-CD2 4.22Å; M145-L221 HydrophobicContact CG-CG 3.95Å; L148-L221 HydrophobicContact CD2-CD1 3.32Å; L149-L221 HydrophobicContact CD1-CD2 3.97Å; L149-L221 HydrophobicContact CD2-CD2 3.82Å; L149-L221 HydrophobicContact CG-CD2 3.74Å; D217-L221 PolarHBondContact O-N 2.88Å; L218-L221 PolarHBondContact O-N 2.98Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 2.89Å; L221-A224 PolarHBondContact O-N 3.08Å; L221-V225 HydrophobicContact CD1-CG2 4.21Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.28Å
222Y93.5Very high83.7Confident0 Ų056.6 Ų56.60%033%0.328CS..Hα-helixtrans-57.3-51.7174.5176.3-83.6000111.6L13 W17 K30 Q137 P141 M145 F214 L218 Q219 A224 V225 T226L13-Y222 PolarHBondContact O-OH 3.39Å; W17-Y222 AromaticContact CD1-CE2 3.99Å; W17-Y222 AromaticContact CD1-CZ 3.99Å; W17-Y222 AromaticContact NE1-CE2 3.97Å; W17-Y222 AromaticContact NE1-CZ 3.92Å; K30-Y222 VanDerWaalsContact NZ-CE1 3.29Å; K30-Y222 VanDerWaalsContact NZ-CZ 3.33Å; K30-Y222 PolarHBondContact NZ-OH 2.85Å; Q137-Y222 VanDerWaalsContact O-CE2 3.32Å; Q137-Y222 WeakPolarHBondContact O-CE2 3.34Å; Q137-Y222 PolarHBondContact O-OH 3.11Å; Q137-Y222 PolarHBondContact OE1-OH 3.28Å; P141-Y222 HydrophobicContact CB-CD2 3.71Å; P141-Y222 HydrophobicContact CB-CE2 3.33Å; P141-Y222 HydrophobicContact CG-CE2 3.77Å; M145-Y222 VanDerWaalsContact SD-CA 3.6Å; M145-Y222 HydrophobicContact SD-CD2 3.96Å; M145-Y222 HydrophobicContact SD-CG 4.32Å; F214-Y222 HydrophobicContact CE1-CD2 4.29Å; F214-Y222 HydrophobicContact CE1-CG 4.34Å; F214-Y222 AromaticContact CZ-CD2 3.78Å; F214-Y222 HydrophobicContact CZ-CD2 3.78Å; F214-Y222 AromaticContact CZ-CG 3.91Å; F214-Y222 HydrophobicContact CZ-CG 3.91Å; L218-Y222 WeakPolarHBondContact O-CB 3.36Å; L218-Y222 PolarHBondContact O-N 3.3Å; Q219-Y222 WeakPolarHBondContact O-CB 3.47Å; Q219-Y222 PolarHBondContact O-N 3.41Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 2.93Å; Y222-V225 PolarHBondContact O-N 3.32Å; Y222-V225 VanDerWaalsContact O-N 3.12Å; Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CE1-CG2 3.6Å; Y222-T226 HydrophobicContact CE2-CG2 4.14Å; Y222-T226 PolarHBondContact O-N 3.4Å; Y222-T226 PolarHBondContact O-OG1 3.41Å
223S91.3Very high83.9Confident32 Ų3260.1 Ų60.122%0.22434%0.342CS..Hα-helixtrans-60.1-39.6179.9-62.90000112Q219 Q220 T226 A227Q219-S223 PolarHBondContact O-N 3.25Å; Q219-S223 PolarHBondContact O-OG 2.85Å; Q219-S223 VanDerWaalsContact O-OG 3.11Å; Q220-S223 PolarHBondContact O-N 2.96Å; S223-T226 PolarHBondContact O-N 3.04Å; S223-T226 PolarHBondContact O-OG1 3.02Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 3.26Å
224A91.9Very high84Confident62 Ų6263.3 Ų63.351%0.51234%0.337SS..Hα-helixtrans-63.7-42.6174.900000112.4Q220 L221 Y222 R228Q220-A224 PolarHBondContact O-N 3.36Å; L221-A224 PolarHBondContact O-N 3.08Å; Y222-A224 VanDerWaalsContact C-N 3.3Å; Y222-A224 PolarHBondContact O-N 2.93Å; A224-R228 PolarHBondContact O-N 2.82Å
225V92.1Very high83.4Confident20 Ų2071.9 Ų71.912%0.12137%0.369CS..Hα-helixtrans-65.7-42.6178.31650000111.6P141 A144 M145 L221 Y222 R229P141-V225 HydrophobicContact CB-CG1 4.49Å; A144-V225 HydrophobicContact CB-CG1 3.58Å; M145-V225 HydrophobicContact CG-CB 4.34Å; M145-V225 HydrophobicContact CG-CG2 3.88Å; L221-V225 HydrophobicContact CD1-CG2 4.21Å; L221-V225 WeakPolarHBondContact O-CG2 3.4Å; L221-V225 PolarHBondContact O-N 3.28Å; Y222-V225 PolarHBondContact O-N 3.32Å; Y222-V225 VanDerWaalsContact O-N 3.12Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 2.98Å
226T90.5Very high82.4Confident0 Ų077 Ų770%038%0.381CS..Hα-helixtrans-74.4-38.1-179.255.10000112.7L13 P141 Y222 S223 R228 R229 A230L13-T226 HydrophobicContact CD1-CG2 3.97Å; L13-T226 HydrophobicContact CG-CG2 4.18Å; L13-T226 WeakPolarHBondContact O-CB 3.46Å; L13-T226 PolarHBondContact O-OG1 3.41Å; P141-T226 HydrophobicContact CB-CG2 4.05Å; P141-T226 HydrophobicContact CG-CG2 3.87Å; Y222-T226 HydrophobicContact CD1-CG2 4.18Å; Y222-T226 HydrophobicContact CE1-CG2 3.6Å; Y222-T226 HydrophobicContact CE2-CG2 4.14Å; Y222-T226 PolarHBondContact O-N 3.4Å; Y222-T226 PolarHBondContact O-OG1 3.41Å; S223-T226 PolarHBondContact O-N 3.04Å; S223-T226 PolarHBondContact O-OG1 3.02Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 3.23Å; T226-R229 WeakPolarHBondContact O-CB 3.15Å; T226-R229 PolarHBondContact O-N 2.99Å; T226-A230 PolarHBondContact O-N 3.29Å
227A87.3Confident81.1Confident44 Ų4480.6 Ų80.636%0.36438%0.38SS..Hα-helixtrans-59.6-42.6174.600000112.3S223 R229 A230 A231S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 3.26Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.01Å; A227-A230 PolarHBondContact O-N 3.25Å; A227-A231 PolarHBondContact O-N 3.41Å
228R79.3Confident79.2Confident197 Ų19779.7 Ų79.774%0.74338%0.38SS*.Hα-helixtrans-62-37.8176.6-174176.5179.51792.6112.3A224 T226 A231 L232A224-R228 PolarHBondContact O-N 2.82Å; T226-R228 VanDerWaalsContact C-N 3.34Å; T226-R228 PolarHBondContact O-N 3.23Å; R228-A231 PolarHBondContact O-N 3.47Å; R228-L232 PolarHBondContact O-N 2.84Å
229R74.6Confident77Confident66 Ų6686 Ų8625%0.24941%0.409CS..Hα-helixtrans-66.8-45.5175.9-69.117165.21119.9111.2R140 V225 T226 A227 A231 L232 H233R140-R229 VanDerWaalsContact CB-NH1 3.26Å; V225-R229 WeakPolarHBondContact O-CG 3.46Å; V225-R229 PolarHBondContact O-N 2.98Å; T226-R229 WeakPolarHBondContact O-CB 3.15Å; T226-R229 PolarHBondContact O-N 2.99Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.01Å; R229-A231 VanDerWaalsContact C-N 3.29Å; R229-A231 PolarHBondContact O-N 3.29Å; R229-L232 PolarHBondContact O-N 3.41Å; R229-L232 VanDerWaalsContact O-N 3.15Å; R229-H233 PolarHBondContact O-CD2 3.37Å; R229-H233 PolarHBondContact O-N 2.91Å
230A74.8Confident74.9Confident6 Ų694.1 Ų94.15%0.0545%0.446CS..Hα-helixtrans-57.8-43.717600000111.2T226 A227 L232 H233 K234T226-A230 PolarHBondContact O-N 3.29Å; A227-A230 PolarHBondContact O-N 3.25Å; A230-L232 PolarHBondContact O-N 2.99Å; A230-H233 PolarHBondContact O-N 3.38Å; A230-K234 WeakPolarHBondContact O-CG 3.37Å; A230-K234 PolarHBondContact O-N 2.92Å
231A75.1Confident72.7Confident49 Ų4993.5 Ų93.541%0.40545%0.452SS..Hα-helixtrans-61.9-41.5174.900000112.9A227 R228 R229 K234 R235A227-A231 PolarHBondContact O-N 3.41Å; R228-A231 PolarHBondContact O-N 3.47Å; R229-A231 VanDerWaalsContact C-N 3.29Å; R229-A231 PolarHBondContact O-N 3.29Å; A231-K234 PolarHBondContact O-N 3.45Å; A231-R235 WeakPolarHBondContact O-CG 3.25Å; A231-R235 PolarHBondContact O-N 3.02Å
232L72.7Confident70.1Confident94 Ų94101.2 Ų101.249%0.49249%0.487SS..Hα-helixtrans-65-39.9176.8-172.468000112R228 R229 A230 R235 R236R228-L232 PolarHBondContact O-N 2.84Å; R229-L232 PolarHBondContact O-N 3.41Å; R229-L232 VanDerWaalsContact O-N 3.15Å; A230-L232 PolarHBondContact O-N 2.99Å; L232-R235 PolarHBondContact O-N 3.11Å; L232-R236 WeakPolarHBondContact O-CG 3.11Å; L232-R236 PolarHBondContact O-N 2.97Å
233H67.4Low67.3Low96 Ų96104.8 Ų104.844%0.44452%0.524SS..Hα-helixtrans-64.4-42.6174.2-78.8-68.8000111.8R229 A230 R235 R236 R237R229-H233 PolarHBondContact O-CD2 3.37Å; R229-H233 PolarHBondContact O-N 2.91Å; A230-H233 PolarHBondContact O-N 3.38Å; H233-R235 VanDerWaalsContact C-N 3.34Å; H233-R235 PolarHBondContact O-N 3.31Å; H233-R236 PolarHBondContact O-N 3.36Å; H233-R237 PolarHBondContact O-N 2.93Å
234K70.3Confident64.5Low133 Ų133109.8 Ų109.858%0.57855%0.548SS*.Hα-helixtrans-62.1-37.8175-72.5178.4-177.2-176.90112.8A230 A231 R236 R237 P238A230-K234 WeakPolarHBondContact O-CG 3.37Å; A230-K234 PolarHBondContact O-N 2.92Å; A231-K234 PolarHBondContact O-N 3.45Å; K234-R236 VanDerWaalsContact C-N 3.34Å; K234-R236 PolarHBondContact O-N 2.92Å; K234-R237 PolarHBondContact O-N 3.26Å; K234-P238 WeakPolarHBondContact O-CD 3.46Å; K234-P238 WeakPolarHBondContact O-CG 3.34Å
235R69.1Low62.3Low207 Ų207112.8 Ų112.878%0.78156%0.562SS**Hα-helixtrans-73-19.8177.4-71.7179.674.4-175.55.6114.5A231 L232 H233 P238A231-R235 WeakPolarHBondContact O-CG 3.25Å; A231-R235 PolarHBondContact O-N 3.02Å; L232-R235 PolarHBondContact O-N 3.11Å; H233-R235 VanDerWaalsContact C-N 3.34Å; H233-R235 PolarHBondContact O-N 3.31Å; R235-P238 WeakPolarHBondContact O-CD 3.46Å
236R62.5Low60.1Low197 Ų197117.2 Ų117.274%0.74359%0.585SS**Hα-helixtrans-85.5-19.3173.9-73.5-177.7177.1-139.4-0.5113.4L232 H233 K234 P238L232-R236 WeakPolarHBondContact O-CG 3.11Å; L232-R236 PolarHBondContact O-N 2.97Å; H233-R236 PolarHBondContact O-N 3.36Å; K234-R236 VanDerWaalsContact C-N 3.34Å; K234-R236 PolarHBondContact O-N 2.92Å; R236-P238 VanDerWaalsContact C-CD 3.44Å
237R56.4Low57.5Low145 Ų145128.8 Ų128.855%0.54763%0.629SS.*SBendtrans-80-15176.6-71.5-176.9-179.3171.75.1117.9H233 K234 Q239H233-R237 PolarHBondContact O-N 2.93Å; K234-R237 PolarHBondContact O-N 3.26Å; R237-Q239 VanDerWaalsContact C-N 3.29Å; R237-Q239 PolarHBondContact O-N 3.14Å
238P48.5Very low55.1Low93 Ų93132.6 Ų132.660%0.60465%0.648SS**THydrogen-bonded Turntrans-81.47.2-174.1-11.430.1000115.6K234 R235 R236K234-P238 WeakPolarHBondContact O-CD 3.46Å; K234-P238 WeakPolarHBondContact O-CG 3.34Å; R235-P238 WeakPolarHBondContact O-CD 3.46Å; R236-P238 VanDerWaalsContact C-CD 3.44Å
239Q45.9Very low53.1Low184 Ų184131.6 Ų131.686%0.8665%0.652SS**THydrogen-bonded Turntrans-113.716-170.1-105.3-179.7-5.500115.8R237R237-Q239 VanDerWaalsContact C-N 3.29Å; R237-Q239 PolarHBondContact O-N 3.14Å
240E44.9Very low51.4Low184 Ų184134.1 Ų134.186%0.8668%0.676SS**SBendtrans-124.447.3174.5-67.5-177.1178.600111.8
241T44.7Very low49.7Very low124 Ų124139.9 Ų139.976%0.76171%0.713SS**  trans-15576.416126.20000109
242H40.1Very low48Very low193 Ų193146.4 Ų146.489%0.89474%0.735SS**  trans-138.491.2147.4-96.3-72.1000105.9D244H242-D244 PolarHBondContact O-N 3.38Å
243G33.5Very low46.3Very low74 Ų74147.7 Ų147.776%0.76375%0.749SS**  trans-66.5117.4157.600000106.9
244D33.2Very low45.1Very low137 Ų137152.2 Ų152.273%0.73377%0.771SS**  trans-71.9120.6171.2-166.67.8000108.4H242 D246H242-D244 PolarHBondContact O-N 3.38Å; D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact O-N 3.43Å
245P46.3Very low43.7Very low125 Ų125151.4 Ų151.481%0.81278%0.779SS**  trans-97.154.9177.439.4-30.6000109.8
246D44.3Very low42.3Very low114 Ų114147.5 Ų147.561%0.6178%0.78SS**  trans-158.588.2162.9-157.55.5000112D244D244-D246 VanDerWaalsContact C-N 3.34Å; D244-D246 PolarHBondContact O-N 3.43Å
247R36.1Very low41Very low243 Ų243147.2 Ų147.292%0.91779%0.788SS**  trans-137.791.2153.1-104.8-176.1175.3-156.7-2.4108.1E249R247-E249 PolarHBondContact O-N 3.21Å
248T37.7Very low40.1Very low123 Ų123145.9 Ų145.976%0.75580%0.798SS**  trans-61110.1163.6-53.70000108.2
249E37.3Very low39.7Very low177 Ų177147.3 Ų147.383%0.82781%0.807SS**PPolyproline II helixtrans-70132.1166.2-73-175.2156.300109.1R247R247-E249 PolarHBondContact O-N 3.21Å
250P39.1Very low39Very low118 Ų118142.4 Ų142.477%0.76680%0.798SS**PPolyproline II helixtrans-76.4139170.7-0.116.2000110
251P39Very low38.4Very low127 Ų127142.3 Ų142.383%0.82580%0.797SS**PPolyproline II helixtrans-75141.3179.530-31.7000112
252E38.7Very low37.6Very low187 Ų187142 Ų14287%0.87480%0.795SS**PPolyproline II helixtrans-72.3141175.7-162.3170-168.600110.9
253P37.6Very low37.1Very low121 Ų121138.9 Ų138.979%0.78679%0.79SS**PPolyproline II helixtrans-85.9126.1-17531.6-30.7000112.6
254E41.7Very low36.9Very low190 Ų190141 Ų14189%0.88879%0.788SS**PPolyproline II helixtrans-75.5148.6169.2-83.3-170.4153.500112.6
255P40.6Very low36.9Very low116 Ų116142.2 Ų142.275%0.75379%0.793SS**PPolyproline II helixtrans-85.1159.6176.421.9-9.4000113.4
256P41.3Very low36Very low125 Ų125139.3 Ų139.381%0.81279%0.785SS**PPolyproline II helixtrans-92.3148.9-16536-32.5000113.6
257E33.3Very low36.4Very low192 Ų192140 Ų14090%0.89780%0.796SS**  trans-122.4153.6162.3-86.2-162.816900112.6
258P38.9Very low36.1Very low117 Ų117136.6 Ų136.676%0.7680%0.796SS**  trans-98.7178.9-153.740.2-32.4000114.2
259P39.9Very low35.7Very low122 Ų122134.1 Ų134.179%0.79280%0.795SS**  trans-106.8170.3-138.340.4-37.4000117.8
260A31.5Very low35.2Very low81 Ų81129.5 Ų129.567%0.66980%0.795SS**  trans98.8116.6145.500000118.7
261Q31.4Very low34.9Very low182 Ų182131.7 Ų131.785%0.8580%0.801SS**  -179125100.1-91.4167.364.800113.1
262T27.9Very low35.4Very low118 Ų118130.4 Ų130.472%0.72479%0.792SS**  trans24.8129.6138.3-42.90000118.4
263T29.3Very low35.1Very low128 Ų128129.2 Ų129.279%0.78579%0.786SS**  -171.2134.184-49.20000114.1
264V30.9Very low34.8Very low118 Ų118128.5 Ų128.572%0.71578%0.776SS**  trans-16.2142.2155.3-168.10000119.5
265I31.9Very low34.4Very low163 Ų163127.2 Ų127.284%0.83677%0.77SS**  171.4126.4118.3-76.6155.3000109.8
266G27Very low34Very low63 Ų63128.8 Ų128.865%0.64977%0.772SS**  trans-97.8-146.417200000112.7
267P52.9Low34.5Very low130 Ų130127.8 Ų127.884%0.84477%0.766SS**  cis-138.1-156-2340.5-20.5000112.4
268D31Very low34.4Very low170 Ų170123.9 Ų123.991%0.90976%0.759SS**  trans103.9129.1160.2-140.336.6000115.3
269G28.5Very low33.9Very low71 Ų71121.7 Ų121.773%0.73276%0.759SS**  cis159.61413.500000108.6
270G27.4Very low34.4Very low81 Ų81121.7 Ų121.784%0.83576%0.758SS**  trans127.6100.1159.200000119.2
271D31.5Very low34.7Very low164 Ų164123.7 Ų123.788%0.87776%0.762SS**  trans-96.6178.5148.3-93.9-31.6000108.1
272P51.3Low34.9Very low99 Ų99120.6 Ų120.664%0.64375%0.751SS**  cis-146.2-177.118.337.9-14.4000117.7
273E31.1Very low35.1Very low162 Ų162122.6 Ų122.676%0.75775%0.753SS**  trans60.6144.8144-89.1178.410300120.6
274N32Very low35.2Very low106 Ų106124 Ų12457%0.56776%0.755SS**  cis-170.3162.635.7-137.9-26.9000114
275Q31.9Very low36.3Very low163 Ų163123.8 Ų123.876%0.76276%0.756SS**  trans78.3103.5142.2-82.8162.670.900123.5
276N34Very low36.1Very low150 Ų150119.7 Ų119.780%0.80275%0.754SS**  trans-74.4-176.1139.8-128.6-1000109.3
277P51Low36.5Very low104 Ų104123.3 Ų123.368%0.67576%0.764SS**  cis-139.8175.81329.2-2.3000114.1
278S31.5Very low36Very low109 Ų109122.9 Ų122.976%0.76276%0.761SS**  161.814188-65.90000109.9
279G28.3Very low36.1Very low72 Ų72121.4 Ų121.474%0.74276%0.758SS**  trans-85.8-139.8174.500000114.1
280P50.3Low36Very low121 Ų121121.4 Ų121.479%0.78676%0.758SS**  cis-145.6-164.6-20.626.61.1000115
281V37.8Very low36.9Very low124 Ų124124.2 Ų124.275%0.75276%0.761SS**  trans84144149.2-176.30000118.8
282D35.5Very low36.7Very low116 Ų116120.4 Ų120.462%0.6276%0.761SS**  cis-169.5159-17.3-113.4-35.3000110.6
283Q31.4Very low35.6Very low161 Ų161119.7 Ų119.775%0.75277%0.772SS**  trans60.8112.1138-63.417046.700125.9
284N32.4Very low35.5Very low157 Ų157117.2 Ų117.284%0.8478%0.779SS**  24.8177.5124.6-12511.4000123.9
285P52.8Low35.5Very low113 Ų113116.8 Ų116.873%0.73479%0.79SS**  cis-128.9-177-42.925.2-2.5000114
286G27.8Very low35.4Very low78 Ų78118.6 Ų118.680%0.80480%0.799SS**  trans166.6121.5156.500000119
287T35.2Very low35.3Very low139 Ų139117.8 Ų117.885%0.85380%0.799SS**  trans-84.3161.2166.9-20000112.3
288P42.3Very low34.2Very low120 Ų120124.4 Ų124.478%0.77981%0.81SS**  -156.5152.399.935.8-14.5000119.6
289V34Very low34.1Very low140 Ų140125.2 Ų125.285%0.84881%0.81SS**  48.6113.4130-169.60000124.9
290G26.6Very low34.1Very low71 Ų71132.1 Ų132.173%0.73281%0.814SS**  62.6177.4121.900000124.3
291P46.5Very low33.1Very low139 Ų139134.1 Ų134.190%0.90382%0.817SS**  -135.6176.5-68.239.2-24.2000114.5
292G26.5Very low32.8Very low85 Ų85135.6 Ų135.688%0.87682%0.816SS**  trans142.9133.215100000118.5
293G28.5Very low32.6Very low84 Ų84138 Ų13887%0.86683%0.827SS**  trans144.887.8158.500000116.2
294A30.2Very low32.9Very low110 Ų110137.4 Ų137.491%0.90983%0.828SS**  trans-74140.5174.800000112.8
295A32Very low33Very low97 Ų97138.1 Ų138.180%0.80283%0.827SS**  trans-109.1115.6171.200000110.6
296Q29.6Very low32.4Very low200 Ų200140.8 Ų140.894%0.93583%0.834SS**  trans-85.4125.9165.2-87.2177.1-2.700109.4
297V30.7Very low32.9Very low133 Ų133145.9 Ų145.981%0.80684%0.836SS**  trans-104.7119.1169.1177.60000108.4
298R28.1Very low32.9Very low243 Ų243148 Ų14892%0.91784%0.837SS**  trans-103.6114.3-179.4-161.6175.3-176.8178.41.2108.5
299V30Very low32.7Very low126 Ų126154 Ų15476%0.76486%0.862SS**  trans-82.7129.8176.41790000109.3
300R27.9Very low32.7Very low218 Ų218154.7 Ų154.782%0.82386%0.863SS**  trans-114.3102179.4-161.2-179.9-173.3-177.61.7108.9
301L30.2Very low33Very low163 Ų163159.1 Ų159.185%0.85387%0.87SS**PPolyproline II helixtrans-73.1124.2171.1-81.1155.5000109.6
302H31.6Very low32.2Very low154 Ų154160.2 Ų160.271%0.71387%0.868SS**PPolyproline II helixtrans-91.7118.2169.5-92.263.2000109.5
303L30.8Very low32.6Very low166 Ų166164.6 Ų164.687%0.86987%0.867SS**PPolyproline II helixtrans-76126.6163.1-99.2117.3000109
304I37.9Very low32.8Very low149 Ų149169.7 Ų169.776%0.76487%0.868SS**  trans-96.5114.6164.6-67.4174.6000107.4
305Q34Very low33Very low173 Ų173173.7 Ų173.781%0.80887%0.865SS**  trans-78.2129161.6-78-158.7-32.700108.9
306L40Very low33.1Very low168 Ų168179.1 Ų179.188%0.8887%0.869SS**  trans-100.8115.4160.8-80.3165.2000107.9
307Q38Very low33.3Very low185 Ų185177.5 Ų177.586%0.86486%0.864SS**  trans-71.9142.1168.3-82178.9-71.900110.3
308E35.6Very low33.5Very low185 Ų185181.3 Ų181.386%0.86487%0.869SS**  trans-61140.2169.6-67167.7142.100111.7
309N38.5Very low34Very low245 Ų245175.6 Ų175.6100%1.3187%0.865SS**  trans-1520140.2-119.510.8000108.4

Retrieved 309 of 309 residues in 75.3 ms (Link to these results)

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