A0A077ZH42_TRITR Loading...

Protein crumbs

AlphaFold DB , UniProt , Accession A0A077ZH42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 282 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
1M45.8Very low53.1Low187 Ų187134 Ų13492%0.92164%0.636SS**  093.80-88.9166.843.300105.8
2D53.3Low53.6Low116 Ų116130.5 Ų130.562%0.6262%0.619SS**  trans-69.1141.8-177.2-76.7-47.7000110.3E4 Q5D2-E4 PolarHBondContact O-N 3.26Å; D2-Q5 PolarHBondContact O-N 2.77Å
3W50.6Low54.6Low214 Ų214131.4 Ų131.481%0.81163%0.628SS**Hα-helixtrans-55.5-19.9176.4-83.382.4000113N7W3-N7 PolarHBondContact O-N 3.41Å
4E51.7Low56.3Low167 Ų167131.5 Ų131.578%0.7863%0.633SS**Hα-helixtrans-66.2-36.3171.6-64.1-174.8166.700113D2 S8D2-E4 PolarHBondContact O-N 3.26Å; E4-S8 PolarHBondContact O-N 2.8Å; E4-S8 VanDerWaalsContact O-N 3.1Å
5Q52.1Low58.2Low120 Ų120126 Ų12656%0.56161%0.608SS**Hα-helixtrans-73.2-34179.6-81-179.4-2000113.1D2 N9D2-Q5 PolarHBondContact O-N 2.77Å; Q5-N9 PolarHBondContact O-N 2.92Å; Q5-N9 VanDerWaalsContact O-N 3.11Å
6L53.2Low60Low93 Ų93126.1 Ų126.149%0.48761%0.612SS.*Hα-helixtrans-70.8-37.9178.8-75.9168.3000111.6Y10L6-Y10 PolarHBondContact O-N 3.34Å
7N53.1Low61.7Low101 Ų101121.9 Ų121.954%0.5459%0.593SS.*Hα-helixtrans-68.9-42172.8-85.2-3.4000111.5W3 N9 Y10 F11W3-N7 PolarHBondContact O-N 3.41Å; N7-N9 PolarHBondContact O-N 2.74Å; N7-Y10 PolarHBondContact O-N 3.44Å; N7-F11 VanDerWaalsContact O-CD2 3.29Å; N7-F11 WeakPolarHBondContact O-CD2 3.28Å; N7-F11 PolarHBondContact O-N 2.78Å; N7-F11 VanDerWaalsContact O-N 3.1Å
8S55.8Low63.3Low63 Ų63117.5 Ų117.544%0.44157%0.571SS.*Hα-helixtrans-56.4-48.2176.9-164.10000111.8E4 Y10 F11 H12E4-S8 PolarHBondContact O-N 2.8Å; E4-S8 VanDerWaalsContact O-N 3.1Å; S8-Y10 VanDerWaalsContact C-N 3.34Å; S8-Y10 PolarHBondContact O-N 3.33Å; S8-F11 PolarHBondContact O-N 2.79Å; S8-H12 PolarHBondContact O-CD2 3.34Å; S8-H12 PolarHBondContact O-N 2.84Å
9N54.4Low64.8Low103 Ų103113.3 Ų113.355%0.55156%0.555SS**Hα-helixtrans-67.5-28.1-179.5-78.8-26.9000114.1Q5 N7Q5-N9 PolarHBondContact O-N 2.92Å; Q5-N9 VanDerWaalsContact O-N 3.11Å; N7-N9 PolarHBondContact O-N 2.74Å
10Y57.8Low66.1Low158 Ų158114 Ų11462%0.6256%0.561SS**Hα-helixtrans-74.2-37.3174.4-167.2-97.5000111.8L6 N7 S8 H12 L13L6-Y10 PolarHBondContact O-N 3.34Å; N7-Y10 PolarHBondContact O-N 3.44Å; S8-Y10 VanDerWaalsContact C-N 3.34Å; S8-Y10 PolarHBondContact O-N 3.33Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.98Å; Y10-L13 PolarHBondContact O-N 3.19Å
11F55.8Low67Low152 Ų152111.2 Ų111.267%0.66755%0.553SS**Hα-helixtrans-64.5-31173.7-87-79.9000112.6N7 S8 L13N7-F11 VanDerWaalsContact O-CD2 3.29Å; N7-F11 WeakPolarHBondContact O-CD2 3.28Å; N7-F11 PolarHBondContact O-N 2.78Å; N7-F11 VanDerWaalsContact O-N 3.1Å; S8-F11 PolarHBondContact O-N 2.79Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.35Å
12H59Low68.8Low92 Ų92110.9 Ų110.943%0.42656%0.555SS.*G310 helixtrans-64.8-25.4176.7-77.6-72.5000114.8S8 Y10 V36S8-H12 PolarHBondContact O-CD2 3.34Å; S8-H12 PolarHBondContact O-N 2.84Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.98Å; H12-V36 HydrophobicContact CB-CG1 4.42Å; H12-V36 WeakPolarHBondContact ND1-CG1 3.31Å; H12-V36 WeakPolarHBondContact ND1-CG2 3.15Å
13L67.3Low70.5Confident142 Ų142113 Ų11374%0.74356%0.561SS**G310 helixtrans-89.4-14-172.2-72.1170.9000114.4Y10 F11Y10-L13 PolarHBondContact O-N 3.19Å; F11-L13 VanDerWaalsContact C-N 3.29Å; F11-L13 PolarHBondContact O-N 3.35Å
14L78.5Confident72.3Confident133 Ų133108.8 Ų108.870%0.69655%0.55SS**G310 helixtrans-126.137.7178.9-66.5173.2000110.9L16L14-L16 PolarHBondContact O-N 3.26Å
15D84.7Confident74.2Confident49 Ų49101.6 Ų101.626%0.26252%0.518SS..  trans-62.2121.2172.9-17449.4000110.2N34 G37D15-N34 PolarHBondContact OD2-ND2 3.22Å; D15-G37 PolarHBondContact OD1-N 2.79Å
16L86.9Confident76.2Confident128 Ų12896.5 Ų96.567%0.6750%0.495SS*.  trans-86.5112.2177.1173.864.8000107.9L14 E18L14-L16 PolarHBondContact O-N 3.26Å; L16-E18 PolarHBondContact O-N 3.04Å; L16-E18 VanDerWaalsContact O-OE2 3.13Å
17D89.4Confident78.1Confident54 Ų5493.9 Ų93.929%0.28948%0.48SS..  trans-70.793.1175-172.9-14.7000110.6C19 N20 N34D17-C19 PolarHBondContact O-N 3.07Å; D17-C19 VanDerWaalsContact OD1-CB 3.24Å; D17-C19 WeakPolarHBondContact OD1-CB 3.08Å; D17-C19 PolarHBondContact OD1-N 3.49Å; D17-N20 PolarHBondContact O-N 2.53Å; D17-N20 PolarHBondContact OD2-ND2 2.89Å; D17-N34 WeakPolarHBondContact OD1-CB 3.44Å
18E90.2Very high79.8Confident43 Ų4392.5 Ų92.520%0.20147%0.473CS..G310 helixtrans-65.6-21.7-179.2-56.796.1158.400112.2L16 N20 S21 V25 N34 S38 Y39L16-E18 PolarHBondContact O-N 3.04Å; L16-E18 VanDerWaalsContact O-OE2 3.13Å; E18-N20 PolarHBondContact O-N 3.12Å; E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 2.82Å; E18-S21 PolarHBondContact O-OG 3.38Å; E18-V25 VanDerWaalsContact O-CG2 3.31Å; E18-V25 WeakPolarHBondContact O-CG2 3.38Å; E18-N34 PolarHBondContact OE2-OD1 2.91Å; E18-S38 VanDerWaalsContact OE2-C 3.31Å; E18-Y39 HydrophobicContact CB-CD1 3.77Å; E18-Y39 HydrophobicContact CB-CE1 4.48Å; E18-Y39 HydrophobicContact CB-CG 4.35Å; E18-Y39 HydrophobicContact CG-CD1 3.92Å; E18-Y39 PolarHBondContact OE2-N 2.76Å
19C91.9Very high81.4Confident38 Ų3892.7 Ų92.726%0.25748%0.484SS..G310 helixtrans-70.7-17.4178.9-57.90000113.4D17 C32 T33 N34D17-C19 PolarHBondContact O-N 3.07Å; D17-C19 VanDerWaalsContact OD1-CB 3.24Å; D17-C19 WeakPolarHBondContact OD1-CB 3.08Å; D17-C19 PolarHBondContact OD1-N 3.49Å; C19-C32 WeakPolarHBondContact CA-SG 3.42Å; C19-C32 HydrophobicContact CB-CB 3.7Å; C19-C32 WeakPolarHBondContact CB-SG 3.19Å; C19-C32 WeakPolarHBondContact SG-CB 3.24Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 3.39Å; C19-T33 VanDerWaalsContact SG-C 3.56Å; C19-N34 PolarHBondContact SG-N 2.77Å
20N90.3Very high83.2Confident127 Ų12788.4 Ų88.468%0.67947%0.465SS*.G310 helixtrans-99.49.2174.7-68.2-31.9000113.1D17 E18D17-N20 PolarHBondContact O-N 2.53Å; D17-N20 PolarHBondContact OD2-ND2 2.89Å; E18-N20 PolarHBondContact O-N 3.12Å
21S85.1Confident85Confident55 Ų5589.8 Ų89.839%0.38547%0.469SS..SBendtrans-71.2156.7172.468.40000111.3E18 E23E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 2.82Å; E18-S21 PolarHBondContact O-OG 3.38Å; S21-E23 PolarHBondContact O-N 3.43Å; S21-E23 PolarHBondContact OG-O 3.31Å
22D84.5Confident86.9Confident180 Ų18084.3 Ų84.396%0.96345%0.449SS*.SBendtrans-68.4-9.8171.7-70-41000112.4
23E87.7Confident88.6Confident160 Ų16082.5 Ų82.575%0.74844%0.444SS*.SBendtrans-88.3140.6-178.2-65.6-171.117900112.1S21 V25S21-E23 PolarHBondContact O-N 3.43Å; S21-E23 PolarHBondContact OG-O 3.31Å; E23-V25 PolarHBondContact O-N 3.29Å
24E88.9Confident89.7Confident126 Ų12678.4 Ų78.459%0.58942%0.423SS*.  trans-71104.1173.3-169.7176.2-151.700110.3F27E24-F27 HydrophobicContact CB-CE1 4.35Å; E24-F27 HydrophobicContact CB-CZ 4.24Å; E24-F27 HydrophobicContact CG-CD1 4.41Å; E24-F27 HydrophobicContact CG-CE1 4.13Å; E24-F27 HydrophobicContact CG-CZ 4.25Å; E24-F27 VanDerWaalsContact O-CE2 3.3Å; E24-F27 WeakPolarHBondContact O-CE2 3.16Å; E24-F27 WeakPolarHBondContact O-CZ 3.05Å; E24-F27 WeakPolarHBondContact OE2-CE1 3.12Å
25V92Very high90.3Very high17 Ų1774.3 Ų74.310%0.10340%0.404CS..  trans-83.1-46.6-178.1-179.20000112.2E18 E23 Y39E18-V25 VanDerWaalsContact O-CG2 3.31Å; E18-V25 WeakPolarHBondContact O-CG2 3.38Å; E23-V25 PolarHBondContact O-N 3.29Å; V25-Y39 HydrophobicContact CG1-CD1 4.04Å; V25-Y39 HydrophobicContact CG1-CD2 3.28Å; V25-Y39 HydrophobicContact CG1-CE1 3.93Å; V25-Y39 HydrophobicContact CG1-CE2 3.14Å; V25-Y39 HydrophobicContact CG1-CG 3.75Å; V25-Y39 VanDerWaalsContact CG1-CZ 3.49Å
26C94Very high90.6Very high12 Ų1275.9 Ų75.98%0.08142%0.415CS..SBendtrans-110119.4-179.6-55.10000110.5G30 C32 C41C26-G30 WeakPolarHBondContact CB-O 3.47Å; C26-C32 VanDerWaalsContact SG-CA 3.51Å; C26-C32 WeakPolarHBondContact SG-CB 3.38Å; C26-C41 WeakPolarHBondContact CA-SG 3.13Å; C26-C41 HydrophobicContact CB-CB 3.81Å; C26-C41 WeakPolarHBondContact CB-SG 3.34Å; C26-C41 VanDerWaalsContact SG-CA 3.56Å; C26-C41 WeakPolarHBondContact SG-CB 3.39Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 2.77Å
27F92.5Very high90.6Very high39 Ų3972.6 Ų72.617%0.17141%0.412CS..  trans-85.8166.1-174.8-67.9-92.5000111.9E24 G29 G30 K51 C52 R53E24-F27 HydrophobicContact CB-CE1 4.35Å; E24-F27 HydrophobicContact CB-CZ 4.24Å; E24-F27 HydrophobicContact CG-CD1 4.41Å; E24-F27 HydrophobicContact CG-CE1 4.13Å; E24-F27 HydrophobicContact CG-CZ 4.25Å; E24-F27 VanDerWaalsContact O-CE2 3.3Å; E24-F27 WeakPolarHBondContact O-CE2 3.16Å; E24-F27 WeakPolarHBondContact O-CZ 3.05Å; E24-F27 WeakPolarHBondContact OE2-CE1 3.12Å; F27-G29 VanDerWaalsContact C-N 3.26Å; F27-G29 PolarHBondContact O-N 3.01Å; F27-G30 PolarHBondContact O-N 3.37Å; F27-K51 HydrophobicContact CD2-CB 4.11Å; F27-K51 WeakPolarHBondContact CD2-O 3.46Å; F27-K51 HydrophobicContact CE2-CD 4.36Å; F27-K51 PolarHBondContact N-O 2.03Å; F27-C52 WeakPolarHBondContact O-CB 3.08Å; F27-R53 HydrophobicContact CB-CG 3.78Å; F27-R53 HydrophobicContact CD1-CG 4.49Å; F27-R53 HydrophobicContact CD2-CG 3.57Å; F27-R53 HydrophobicContact CE2-CG 4.46Å; F27-R53 HydrophobicContact CG-CG 3.63Å
28N89.4Confident90.7Very high72 Ų7272.6 Ų72.639%0.38542%0.416SS..THydrogen-bonded Turntrans56.234.3171.8-57.7-57.1000114.9G30 W47 C52N28-G30 VanDerWaalsContact C-N 3.34Å; N28-W47 HydrophobicContact CB-CD2 3.7Å; N28-W47 HydrophobicContact CB-CE3 4.38Å; N28-W47 HydrophobicContact CB-CG 3.9Å; N28-W47 HydrophobicContact CB-CH2 4.48Å; N28-W47 HydrophobicContact CB-CZ2 3.83Å; N28-W47 VanDerWaalsContact CG-CE2 3.4Å; N28-W47 WeakPolarHBondContact ND2-CH2 3.19Å; N28-W47 VanDerWaalsContact ND2-CZ3 3.26Å; N28-W47 WeakPolarHBondContact ND2-CZ3 3.34Å; N28-W47 WeakPolarHBondContact OD1-CZ2 3.19Å; N28-C52 PolarHBondContact ND2-O 3Å
29G88.5Confident90.8Very high66 Ų6673.2 Ų73.268%0.6842%0.417SS*.THydrogen-bonded Turntrans75.919.5-178.300000114.1F27F27-G29 VanDerWaalsContact C-N 3.26Å; F27-G29 PolarHBondContact O-N 3.01Å
30G93Very high91Very high14 Ų1476.8 Ų76.814%0.14443%0.431CS..PPolyproline II helixtrans-61.1138.7170.100000111.3C26 F27 N28 T42C26-G30 WeakPolarHBondContact CB-O 3.47Å; F27-G30 PolarHBondContact O-N 3.37Å; N28-G30 VanDerWaalsContact C-N 3.34Å; G30-T42 WeakPolarHBondContact CA-O 3.35Å
31R95.2Very high91.2Very high187 Ų18771.6 Ų71.671%0.70640%0.404SS*.EExtended strand (participates in β ladder)trans-88.7122.2176.6179.8-177.5-172.2-175.92.6109.6T42R31-T42 WeakPolarHBondContact CB-OG1 3.47Å; R31-T42 PolarHBondContact N-O 3.34Å; R31-T42 PolarHBondContact O-N 2.02Å; R31-T42 PolarHBondContact O-OG1 2.82Å
32C95.2Very high91.7Very high36 Ų3672.4 Ų72.424%0.24341%0.408CS..EExtended strand (participates in β ladder)trans-81.1134.9175.6-164.10000110.7C19 C26C19-C32 WeakPolarHBondContact CA-SG 3.42Å; C19-C32 HydrophobicContact CB-CB 3.7Å; C19-C32 WeakPolarHBondContact CB-SG 3.19Å; C19-C32 WeakPolarHBondContact SG-CB 3.24Å; C19-C32 CovalentContact SG-SG 2.04Å; C19-C32 PolarHBondContact SG-SG 3.39Å; C26-C32 VanDerWaalsContact SG-CA 3.51Å; C26-C32 WeakPolarHBondContact SG-CB 3.38Å
33T94.9Very high92.1Very high54 Ų5466 Ų6633%0.33138%0.376SS..EExtended strand (participates in β ladder)trans-128.4121.9170.849.80000108.7C19 M40C19-T33 VanDerWaalsContact SG-C 3.56Å; T33-M40 PolarHBondContact N-O 3.1Å; T33-M40 PolarHBondContact O-N 3.27Å; T33-M40 PolarHBondContact OG1-O 3.15Å
34N91.8Very high92.2Very high56 Ų5661.3 Ų61.330%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-70.7139.1177.6-171.741.2000110.7D15 D17 E18 C19D15-N34 PolarHBondContact OD2-ND2 3.22Å; D17-N34 WeakPolarHBondContact OD1-CB 3.44Å; E18-N34 PolarHBondContact OE2-OD1 2.91Å; C19-N34 PolarHBondContact SG-N 2.77Å
35T91.1Very high91.9Very high48 Ų4863.1 Ų63.129%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-129.6162.1175.263.30000109.1G37 S38 M40T35-G37 PolarHBondContact O-N 2.04Å; T35-S38 CarbonylContact C-O 3.47Å; T35-S38 VanDerWaalsContact CA-O 3.23Å; T35-S38 WeakPolarHBondContact CA-O 3.43Å; T35-S38 WeakPolarHBondContact CB-O 3.19Å; T35-S38 PolarHBondContact N-O 3.41Å; T35-S38 PolarHBondContact O-N 3.21Å; T35-S38 PolarHBondContact OG1-O 3.31Å; T35-M40 HydrophobicContact CG2-CB 4.41Å; T35-M40 HydrophobicContact CG2-CG 4.3Å; T35-M40 HydrophobicContact CG2-SD 4.4Å
36V89.5Confident91.6Very high82 Ų8268.1 Ų68.150%0.49739%0.386SS..THydrogen-bonded Turntrans-67.5117.3179.3-177.70000110H12H12-V36 HydrophobicContact CB-CG1 4.42Å; H12-V36 WeakPolarHBondContact ND1-CG1 3.31Å; H12-V36 WeakPolarHBondContact ND1-CG2 3.15Å
37G87.8Confident91.3Very high58 Ų5870.8 Ų70.860%0.59840%0.395SS*.THydrogen-bonded Turntrans82.46.2177.100000114.8D15 T35D15-G37 PolarHBondContact OD1-N 2.79Å; T35-G37 PolarHBondContact O-N 2.04Å
38S91.6Very high91.2Very high55 Ų5572.1 Ų72.139%0.38541%0.406SS..EExtended strand (participates in β ladder)trans-170.6175.2-177.9-174.10000110.9E18 T35E18-S38 VanDerWaalsContact OE2-C 3.31Å; T35-S38 CarbonylContact C-O 3.47Å; T35-S38 VanDerWaalsContact CA-O 3.23Å; T35-S38 WeakPolarHBondContact CA-O 3.43Å; T35-S38 WeakPolarHBondContact CB-O 3.19Å; T35-S38 PolarHBondContact N-O 3.41Å; T35-S38 PolarHBondContact O-N 3.21Å; T35-S38 PolarHBondContact OG1-O 3.31Å
39Y92.3Very high91.3Very high55 Ų5569.6 Ų69.622%0.21640%0.397CS..EExtended strand (participates in β ladder)trans-113164.9165.360.9-81.2000111.4E18 V25 K51E18-Y39 HydrophobicContact CB-CD1 3.77Å; E18-Y39 HydrophobicContact CB-CE1 4.48Å; E18-Y39 HydrophobicContact CB-CG 4.35Å; E18-Y39 HydrophobicContact CG-CD1 3.92Å; E18-Y39 PolarHBondContact OE2-N 2.76Å; V25-Y39 HydrophobicContact CG1-CD1 4.04Å; V25-Y39 HydrophobicContact CG1-CD2 3.28Å; V25-Y39 HydrophobicContact CG1-CE1 3.93Å; V25-Y39 HydrophobicContact CG1-CE2 3.14Å; V25-Y39 HydrophobicContact CG1-CG 3.75Å; V25-Y39 VanDerWaalsContact CG1-CZ 3.49Å; Y39-K51 WeakPolarHBondContact OH-CE 3.27Å
40M94.7Very high91.5Very high114 Ų11471.3 Ų71.356%0.56240%0.396SS*.EExtended strand (participates in β ladder)trans-125.1133.7165.9-86.8-179.754.500110.2T33 T35T33-M40 PolarHBondContact N-O 3.1Å; T33-M40 PolarHBondContact O-N 3.27Å; T33-M40 PolarHBondContact OG1-O 3.15Å; T35-M40 HydrophobicContact CG2-CB 4.41Å; T35-M40 HydrophobicContact CG2-CG 4.3Å; T35-M40 HydrophobicContact CG2-SD 4.4Å
41C96Very high91.5Very high17 Ų1774.5 Ų74.512%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-98.5124.3169.6-62.80000110.3C26 P50C26-C41 WeakPolarHBondContact CA-SG 3.13Å; C26-C41 HydrophobicContact CB-CB 3.81Å; C26-C41 WeakPolarHBondContact CB-SG 3.34Å; C26-C41 VanDerWaalsContact SG-CA 3.56Å; C26-C41 WeakPolarHBondContact SG-CB 3.39Å; C26-C41 CovalentContact SG-SG 2.03Å; C26-C41 PolarHBondContact SG-SG 2.77Å; C41-P50 WeakPolarHBondContact CB-O 3.01Å; C41-P50 PolarHBondContact SG-O 2.85Å; C41-P50 VanDerWaalsContact SG-O 3.38Å
42T94.7Very high91.4Very high73 Ų7365.7 Ų65.745%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-91117.9166.159.80000109.5G30 R31G30-T42 WeakPolarHBondContact CA-O 3.35Å; R31-T42 WeakPolarHBondContact CB-OG1 3.47Å; R31-T42 PolarHBondContact N-O 3.34Å; R31-T42 PolarHBondContact O-N 2.02Å; R31-T42 PolarHBondContact O-OG1 2.82Å
43C92.6Very high91.2Very high44 Ų4471.1 Ų71.130%0.29739%0.389SS..PPolyproline II helixtrans-88.3150.9-175.4-50.20000112.2W47 G49 C52C43-W47 HydrophobicContact CB-CB 4.11Å; C43-W47 VanDerWaalsContact CB-O 3.23Å; C43-W47 WeakPolarHBondContact CB-O 3.43Å; C43-G49 PolarHBondContact SG-O 3.41Å; C43-C52 WeakPolarHBondContact CA-SG 3.03Å; C43-C52 HydrophobicContact CB-CB 3.78Å; C43-C52 WeakPolarHBondContact CB-SG 3.18Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.46Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å
44S89.6Confident90.9Very high63 Ų6374 Ų7444%0.44140%0.398SS..PPolyproline II helixtrans-67.6161167.9-67.40000110.7R46 W47S44-R46 PolarHBondContact O-N 3.26Å; S44-W47 PolarHBondContact O-N 3.48Å
45E84.2Confident90.5Very high163 Ų16374.2 Ų74.276%0.76240%0.402SS*.THydrogen-bonded Turntrans-50.8-22.3-175.3-63.6-174.2166.200115.4T58E45-T58 VanDerWaalsContact O-CB 3.22Å; E45-T58 WeakPolarHBondContact O-CB 3.16Å; E45-T58 PolarHBondContact O-OG1 3.26Å
46R84Confident90.3Very high122 Ų12272.2 Ų72.246%0.4639%0.39SS..THydrogen-bonded Turntrans-91-8.9-177.8-67.5-176.7-86.2169.6-5.5114.5S44 G56 A59S44-R46 PolarHBondContact O-N 3.26Å; R46-G56 PolarHBondContact O-N 3.08Å; R46-A59 HydrophobicContact CB-CB 4.18Å; R46-A59 HydrophobicContact CG-CB 4.39Å
47W89.7Confident90Very high69 Ų6972.9 Ų72.926%0.26140%0.395SS..EExtended strand (participates in β ladder)trans-128.2152.8-172-58.4104.2000111.5N28 C43 S44 C52 E54 V55N28-W47 HydrophobicContact CB-CD2 3.7Å; N28-W47 HydrophobicContact CB-CE3 4.38Å; N28-W47 HydrophobicContact CB-CG 3.9Å; N28-W47 HydrophobicContact CB-CH2 4.48Å; N28-W47 HydrophobicContact CB-CZ2 3.83Å; N28-W47 VanDerWaalsContact CG-CE2 3.4Å; N28-W47 WeakPolarHBondContact ND2-CH2 3.19Å; N28-W47 VanDerWaalsContact ND2-CZ3 3.26Å; N28-W47 WeakPolarHBondContact ND2-CZ3 3.34Å; N28-W47 WeakPolarHBondContact OD1-CZ2 3.19Å; C43-W47 HydrophobicContact CB-CB 4.11Å; C43-W47 VanDerWaalsContact CB-O 3.23Å; C43-W47 WeakPolarHBondContact CB-O 3.43Å; S44-W47 PolarHBondContact O-N 3.48Å; W47-C52 HydrophobicContact CB-CB 4.28Å; W47-E54 CarbonylContact C-O 3.54Å; W47-E54 WeakPolarHBondContact CA-O 3.21Å; W47-V55 HydrophobicContact CZ3-CG2 4.46Å
48T90.4Very high89.8Confident66 Ų6672.9 Ų72.941%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-145.6-179.8179.7-164.30000110.9C52 R53 E54T48-C52 CarbonylContact O-C 3.47Å; T48-C52 VanDerWaalsContact O-CA 3.31Å; T48-C52 WeakPolarHBondContact O-CA 3.45Å; T48-R53 PolarHBondContact O-N 3.3Å; T48-E54 HydrophobicContact CG2-CB 3.59Å; T48-E54 PolarHBondContact N-O 2.63Å; T48-E54 WeakPolarHBondContact O-CB 3Å; T48-E54 PolarHBondContact O-N 2.97Å; T48-E54 VanDerWaalsContact O-N 3.07Å
49G91.5Very high89.5Confident19 Ų1970.4 Ų70.420%0.19637%0.366CS..SBendtrans84.2166.6-177.100000113.3C43 K51 C52C43-G49 PolarHBondContact SG-O 3.41Å; G49-K51 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact O-N 3.15Å; G49-C52 PolarHBondContact O-N 3.46Å; G49-C52 VanDerWaalsContact O-N 3.09Å
50P91.7Very high89.1Confident102 Ų10272.2 Ų72.266%0.66238%0.378SS*.THydrogen-bonded Turntrans-64.4-24.4-170.124-33.9000114C41C41-P50 WeakPolarHBondContact CB-O 3.01Å; C41-P50 PolarHBondContact SG-O 2.85Å; C41-P50 VanDerWaalsContact SG-O 3.38Å
51K93.1Very high88.6Confident82 Ų8273.8 Ų73.836%0.35738%0.382SS..THydrogen-bonded Turntrans-112.19.6177.1-67.3-168168.6-168.40113.6F27 Y39 G49 R53F27-K51 HydrophobicContact CD2-CB 4.11Å; F27-K51 WeakPolarHBondContact CD2-O 3.46Å; F27-K51 HydrophobicContact CE2-CD 4.36Å; F27-K51 PolarHBondContact N-O 2.03Å; Y39-K51 WeakPolarHBondContact OH-CE 3.27Å; G49-K51 PolarHBondContact O-N 2.85Å; G49-K51 VanDerWaalsContact O-N 3.15Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 HydrophobicContact CB-CG 4.31Å; K51-R53 PolarHBondContact O-N 2.92Å
52C93.1Very high88.2Confident1 Ų175.8 Ų75.81%0.00739%0.394CS..SBendtrans5832.1-176-51.80000115.1F27 N28 C43 W47 T48 G49F27-C52 WeakPolarHBondContact O-CB 3.08Å; N28-C52 PolarHBondContact ND2-O 3Å; C43-C52 WeakPolarHBondContact CA-SG 3.03Å; C43-C52 HydrophobicContact CB-CB 3.78Å; C43-C52 WeakPolarHBondContact CB-SG 3.18Å; C43-C52 WeakPolarHBondContact SG-CA 3.03Å; C43-C52 WeakPolarHBondContact SG-CB 3.46Å; C43-C52 CovalentContact SG-SG 2.04Å; C43-C52 PolarHBondContact SG-SG 3.05Å; W47-C52 HydrophobicContact CB-CB 4.28Å; T48-C52 CarbonylContact O-C 3.47Å; T48-C52 VanDerWaalsContact O-CA 3.31Å; T48-C52 WeakPolarHBondContact O-CA 3.45Å; G49-C52 PolarHBondContact O-N 3.46Å; G49-C52 VanDerWaalsContact O-N 3.09Å
53R91.1Very high87.9Confident151 Ų15172.8 Ų72.857%0.5738%0.376SS*.  trans-94.1-23.6178.1-71.2-173.9176.9-169.81.2113.4F27 T48 K51F27-R53 HydrophobicContact CB-CG 3.78Å; F27-R53 HydrophobicContact CD1-CG 4.49Å; F27-R53 HydrophobicContact CD2-CG 3.57Å; F27-R53 HydrophobicContact CE2-CG 4.46Å; F27-R53 HydrophobicContact CG-CG 3.63Å; T48-R53 PolarHBondContact O-N 3.3Å; K51-R53 VanDerWaalsContact C-N 3.27Å; K51-R53 HydrophobicContact CB-CG 4.31Å; K51-R53 PolarHBondContact O-N 2.92Å
54E88.8Confident87.7Confident114 Ų11474.1 Ų74.153%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-85.1148.5-176-64.7165-150.500110.4W47 T48 G56W47-E54 CarbonylContact C-O 3.54Å; W47-E54 WeakPolarHBondContact CA-O 3.21Å; T48-E54 HydrophobicContact CG2-CB 3.59Å; T48-E54 PolarHBondContact N-O 2.63Å; T48-E54 WeakPolarHBondContact O-CB 3Å; T48-E54 PolarHBondContact O-N 2.97Å; T48-E54 VanDerWaalsContact O-N 3.07Å; E54-G56 PolarHBondContact O-N 3.43Å
55V84Confident87.7Confident61 Ų6174.5 Ų74.537%0.3738%0.38SS..EExtended strand (participates in β ladder)trans-74.3126.8179.1179.10000109.7W47 A59 I60 V83W47-V55 HydrophobicContact CZ3-CG2 4.46Å; V55-A59 HydrophobicContact CG1-CB 3.69Å; V55-I60 HydrophobicContact CG1-CG1 4.26Å; V55-V83 HydrophobicContact CG1-CB 4.24Å; V55-V83 HydrophobicContact CG1-CG1 4.2Å; V55-V83 HydrophobicContact CG1-CG2 4.02Å; V55-V83 HydrophobicContact CG2-CG2 4.02Å
56G85.2Confident88.1Confident5 Ų569.4 Ų69.45%0.05236%0.358CS..PPolyproline II helixtrans-75.6156.6176.200000113R46 E54 T58 A59 I60R46-G56 PolarHBondContact O-N 3.08Å; E54-G56 PolarHBondContact O-N 3.43Å; G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.23Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 2.91Å; G56-I60 PolarHBondContact O-N 2.91Å
57T84.1Confident88.5Confident97 Ų9765.3 Ų65.360%0.59535%0.348SS*.Hα-helixtrans-59-35.9178.750.70000112.9A59 I60 F61T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.4Å; T57-I60 WeakPolarHBondContact O-CB 3.28Å; T57-I60 PolarHBondContact O-N 2.88Å; T57-I60 VanDerWaalsContact O-N 3.14Å; T57-F61 WeakPolarHBondContact O-CD2 3.21Å; T57-F61 PolarHBondContact O-N 3.36Å
58T84.5Confident88.6Confident57 Ų5769.9 Ų69.935%0.3537%0.369SS..Hα-helixtrans-57.6-41.1174.5-48.50000112E45 G56 I60 F61 V62E45-T58 VanDerWaalsContact O-CB 3.22Å; E45-T58 WeakPolarHBondContact O-CB 3.16Å; E45-T58 PolarHBondContact O-OG1 3.26Å; G56-T58 VanDerWaalsContact C-N 3.27Å; G56-T58 PolarHBondContact O-N 3.23Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; T58-F61 PolarHBondContact O-N 2.93Å; T58-V62 VanDerWaalsContact O-CG2 3.29Å; T58-V62 WeakPolarHBondContact O-CG2 3.31Å; T58-V62 PolarHBondContact O-N 3.23Å
59A83.9Confident88.7Confident4 Ų473.4 Ų73.43%0.03338%0.379CS..Hα-helixtrans-64.2-39.2177.700000111.5R46 V55 G56 T57 V62 A63 V83R46-A59 HydrophobicContact CB-CB 4.18Å; R46-A59 HydrophobicContact CG-CB 4.39Å; V55-A59 HydrophobicContact CG1-CB 3.69Å; G56-A59 WeakPolarHBondContact O-CB 3.36Å; G56-A59 PolarHBondContact O-N 2.91Å; T57-A59 VanDerWaalsContact C-N 3.3Å; T57-A59 PolarHBondContact O-N 3.4Å; A59-V62 PolarHBondContact O-N 3.15Å; A59-A63 PolarHBondContact O-N 3.36Å; A59-V83 HydrophobicContact CB-CG1 4.28Å
60I83.4Confident88.7Confident92 Ų9274.2 Ų74.247%0.47238%0.379SS..Hα-helixtrans-62.6-45.7174-59.4172.2000110.5V55 G56 T57 T58 V62 A63 V64V55-I60 HydrophobicContact CG1-CG1 4.26Å; G56-I60 PolarHBondContact O-N 2.91Å; T57-I60 WeakPolarHBondContact O-CB 3.28Å; T57-I60 PolarHBondContact O-N 2.88Å; T57-I60 VanDerWaalsContact O-N 3.14Å; T58-I60 VanDerWaalsContact C-N 3.32Å; T58-I60 PolarHBondContact O-N 2.89Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.82Å; I60-A63 WeakPolarHBondContact O-CB 3.48Å; I60-A63 PolarHBondContact O-N 2.85Å; I60-V64 WeakPolarHBondContact O-CG2 3.36Å; I60-V64 PolarHBondContact O-N 3.02Å
61F85.6Confident88.8Confident147 Ų14774 Ų7465%0.64537%0.372SS*.Hα-helixtrans-60.5-40.7176.5-73.7-63.3000112.5T57 T58 V64 D65T57-F61 WeakPolarHBondContact O-CD2 3.21Å; T57-F61 PolarHBondContact O-N 3.36Å; T58-F61 PolarHBondContact O-N 2.93Å; F61-V64 PolarHBondContact O-N 3.42Å; F61-D65 PolarHBondContact O-N 2.59Å
62V87.5Confident88.9Confident59 Ų5970.9 Ų70.936%0.35836%0.36SS..Hα-helixtrans-61.2-46.7174.9171.60000110.7T58 A59 I60 V64 D65 L66T58-V62 VanDerWaalsContact O-CG2 3.29Å; T58-V62 WeakPolarHBondContact O-CG2 3.31Å; T58-V62 PolarHBondContact O-N 3.23Å; A59-V62 PolarHBondContact O-N 3.15Å; I60-V62 VanDerWaalsContact C-N 3.32Å; I60-V62 PolarHBondContact O-N 2.82Å; V62-V64 VanDerWaalsContact C-N 3.32Å; V62-V64 PolarHBondContact O-N 3.1Å; V62-D65 PolarHBondContact O-N 3.45Å; V62-L66 HydrophobicContact CG1-CD1 3.95Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 2.97Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 2.68Å
63A87.4Confident89Confident10 Ų1075.2 Ų75.28%0.08338%0.382CS..Hα-helixtrans-57.7-44.817700000112.1A59 I60 L66 C67 A79 V83 V86A59-A63 PolarHBondContact O-N 3.36Å; I60-A63 WeakPolarHBondContact O-CB 3.48Å; I60-A63 PolarHBondContact O-N 2.85Å; A63-L66 PolarHBondContact O-N 3.37Å; A63-C67 PolarHBondContact O-N 2.78Å; A63-A79 HydrophobicContact CB-CB 4.41Å; A63-V83 HydrophobicContact CB-CG1 3.92Å; A63-V83 VanDerWaalsContact CB-O 3.25Å; A63-V83 WeakPolarHBondContact CB-O 3.39Å; A63-V86 HydrophobicContact CB-CG1 4.48Å
64V88.3Confident89.3Confident73 Ų7369.9 Ų69.944%0.44237%0.365SS..Hα-helixtrans-63.6-41.8177.6173.40000111.5I60 F61 V62 C67 K68I60-V64 WeakPolarHBondContact O-CG2 3.36Å; I60-V64 PolarHBondContact O-N 3.02Å; F61-V64 PolarHBondContact O-N 3.42Å; V62-V64 VanDerWaalsContact C-N 3.32Å; V62-V64 PolarHBondContact O-N 3.1Å; V64-C67 PolarHBondContact O-N 3.43Å; V64-K68 WeakPolarHBondContact O-CG 3.27Å; V64-K68 PolarHBondContact O-N 2.94Å
65D90.3Very high89.7Confident71 Ų7164.9 Ų64.938%0.3834%0.344SS..Hα-helixtrans-66.5-38.8176-172.352.5000112.4F61 V62 K68 K69F61-D65 PolarHBondContact O-N 2.59Å; V62-D65 PolarHBondContact O-N 3.45Å; D65-K68 WeakPolarHBondContact O-CB 3.32Å; D65-K68 PolarHBondContact O-N 3.38Å; D65-K69 PolarHBondContact O-N 3.44Å; D65-K69 IonicContact OD1-NZ 3.95Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.41Å
66L92.1Very high90.3Very high55 Ų5567 Ų6729%0.28835%0.353SS..Hα-helixtrans-62.5-43.1173.6-69.7173.3000111.3V62 A63 K68 K69 L70 F84 V86V62-L66 HydrophobicContact CG1-CD1 3.95Å; V62-L66 HydrophobicContact CG1-CG 4.27Å; V62-L66 WeakPolarHBondContact O-CB 2.97Å; V62-L66 VanDerWaalsContact O-CG 3.27Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 2.68Å; A63-L66 PolarHBondContact O-N 3.37Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.95Å; L66-K69 PolarHBondContact O-N 3.31Å; L66-K69 VanDerWaalsContact O-N 3.08Å; L66-L70 WeakPolarHBondContact O-CB 3.19Å; L66-L70 PolarHBondContact O-N 3.04Å; L66-F84 VanDerWaalsContact CD1-O 3.32Å; L66-F84 WeakPolarHBondContact CD1-O 3.09Å; L66-V86 HydrophobicContact CB-CB 4.46Å; L66-V86 HydrophobicContact CB-CG1 3.83Å; L66-V86 HydrophobicContact CB-CG2 3.72Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å
67C93.2Very high90.7Very high36 Ų3667.9 Ų67.924%0.24336%0.358CS..Hα-helixtrans-66.8-27.7175.3-78.50000113.9A63 V64 K69 C77A63-C67 PolarHBondContact O-N 2.78Å; V64-C67 PolarHBondContact O-N 3.43Å; C67-K69 VanDerWaalsContact C-N 3.26Å; C67-K69 PolarHBondContact O-N 3.43Å; C67-C77 WeakPolarHBondContact CA-SG 3.22Å; C67-C77 HydrophobicContact CB-CB 3.69Å; C67-C77 WeakPolarHBondContact CB-SG 3.5Å; C67-C77 WeakPolarHBondContact SG-CB 3.44Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.86Å
68K91.3Very high91.2Very high165 Ų16565.2 Ų65.272%0.71734%0.342SS*.Hα-helixtrans-67.9-27.8170.8-72.8173.4-177.6176.20112.7V64 D65 L66V64-K68 WeakPolarHBondContact O-CG 3.27Å; V64-K68 PolarHBondContact O-N 2.94Å; D65-K68 WeakPolarHBondContact O-CB 3.32Å; D65-K68 PolarHBondContact O-N 3.38Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.95Å
69K92.3Very high91.5Very high141 Ų14164.8 Ų64.861%0.61334%0.344SS*.Hα-helixtrans-90-30.2179.4-69.9168.3178.5158.80112.7D65 L66 C67 D71D65-K69 PolarHBondContact O-N 3.44Å; D65-K69 IonicContact OD1-NZ 3.95Å; D65-K69 WeakPolarHBondContact OD2-CE 3.37Å; D65-K69 IonicContact OD2-NZ 2.66Å; D65-K69 PolarHBondContact OD2-NZ 3.41Å; L66-K69 PolarHBondContact O-N 3.31Å; L66-K69 VanDerWaalsContact O-N 3.08Å; C67-K69 VanDerWaalsContact C-N 3.26Å; C67-K69 PolarHBondContact O-N 3.43Å; K69-D71 PolarHBondContact O-N 2.04Å
70L92.4Very high91.7Very high36 Ų3668.4 Ų68.419%0.18836%0.359CS..SBendtrans-87.3104.5178.4-176.963.6000110.1L66 C72 V86 R98L66-L70 WeakPolarHBondContact O-CB 3.19Å; L66-L70 PolarHBondContact O-N 3.04Å; L70-C72 PolarHBondContact O-N 3.31Å; L70-V86 HydrophobicContact CB-CG2 4.38Å; L70-V86 HydrophobicContact CD2-CB 4.49Å; L70-V86 HydrophobicContact CD2-CG2 3.75Å; L70-R98 HydrophobicContact CD1-CG 4.25Å
71D93.4Very high91.6Very high98 Ų9873.9 Ų73.952%0.52438%0.383SS..  trans-81.9107.4176.9-16617.1000110.8K69 I73K69-D71 PolarHBondContact O-N 2.04Å; D71-I73 WeakPolarHBondContact OD2-CD1 3.01Å
72C95.9Very high91.1Very high16 Ų1672.4 Ų72.411%0.10838%0.376CS..  trans-95.890.2175.3-58.50000109.1L70 N74 G75 C88L70-C72 PolarHBondContact O-N 3.31Å; C72-N74 PolarHBondContact O-N 2.86Å; C72-G75 WeakPolarHBondContact CB-O 3.42Å; C72-G75 PolarHBondContact O-N 2.84Å; C72-C88 VanDerWaalsContact CA-SG 3.52Å; C72-C88 HydrophobicContact CB-CB 3.8Å; C72-C88 WeakPolarHBondContact CB-SG 3.25Å; C72-C88 VanDerWaalsContact SG-CA 3.52Å; C72-C88 WeakPolarHBondContact SG-CB 3.13Å; C72-C88 CovalentContact SG-SG 2.03Å; C72-C88 PolarHBondContact SG-SG 3.09Å
73I95.4Very high90.6Very high91 Ų9171.1 Ų71.147%0.46737%0.368SS..THydrogen-bonded Turntrans-56.3-53.1-170.1-56-61000111.9D71 R98 T100D71-I73 WeakPolarHBondContact OD2-CD1 3.01Å; I73-R98 PolarHBondContact N-O 3.31Å; I73-T100 HydrophobicContact CB-CG2 4.37Å; I73-T100 HydrophobicContact CG1-CG2 3.81Å
74N96.1Very high90.3Very high40 Ų4074 Ų7421%0.21438%0.379CS..THydrogen-bonded Turntrans-118.648.5177.6-58.9-67.4000111C72 Y91 W94 C99C72-N74 PolarHBondContact O-N 2.86Å; N74-Y91 HydrophobicContact CB-CD2 4.31Å; N74-Y91 VanDerWaalsContact O-CD2 3.23Å; N74-Y91 WeakPolarHBondContact O-CD2 3.04Å; N74-Y91 PolarHBondContact O-N 2.96Å; N74-W94 HydrophobicContact CB-CB 4.04Å; N74-W94 HydrophobicContact CB-CD2 3.44Å; N74-W94 VanDerWaalsContact CB-CD2 3.44Å; N74-W94 HydrophobicContact CB-CE3 4.1Å; N74-W94 HydrophobicContact CB-CG 3.37Å; N74-W94 HydrophobicContact CB-CZ2 4.38Å; N74-W94 VanDerWaalsContact CG-CD2 3.49Å; N74-W94 VanDerWaalsContact ND2-CD2 3.27Å; N74-W94 VanDerWaalsContact ND2-CE2 3.3Å; N74-W94 WeakPolarHBondContact ND2-CH2 3.15Å; N74-W94 VanDerWaalsContact ND2-CZ2 3.29Å; N74-W94 WeakPolarHBondContact ND2-CZ2 3.36Å; N74-W94 WeakPolarHBondContact ND2-CZ3 3.18Å; N74-C99 HydrophobicContact CB-CB 4.29Å; N74-C99 WeakPolarHBondContact CB-O 3.17Å; N74-C99 PolarHBondContact ND2-O 3.23Å; N74-C99 WeakPolarHBondContact O-CB 3.42Å
75G96.6Very high90.3Very high9 Ų974 Ų749%0.09337%0.374CS..EExtended strand (participates in β ladder)trans-162.4-180178.500000113.5C72 K89C72-G75 WeakPolarHBondContact CB-O 3.42Å; C72-G75 PolarHBondContact O-N 2.84Å; G75-K89 CarbonylContact C-O 3.52Å; G75-K89 WeakPolarHBondContact CA-O 3.46Å
76L96.6Very high90.5Very high104 Ų10472 Ų7255%0.54536%0.364SS..EExtended strand (participates in β ladder)trans-109.7127.9175.7-178.165.7000109.8V78 K89L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 4.09Å; L76-V78 PolarHBondContact O-N 2.87Å; L76-K89 PolarHBondContact N-O 2.85Å; L76-K89 PolarHBondContact O-N 3.02Å
77C95.3Very high90.6Very high25 Ų2572.2 Ų72.217%0.16936%0.364CS..EExtended strand (participates in β ladder)trans-72.4126.5170.2-174.50000110.2C67C67-C77 WeakPolarHBondContact CA-SG 3.22Å; C67-C77 HydrophobicContact CB-CB 3.69Å; C67-C77 WeakPolarHBondContact CB-SG 3.5Å; C67-C77 WeakPolarHBondContact SG-CB 3.44Å; C67-C77 CovalentContact SG-SG 2.04Å; C67-C77 PolarHBondContact SG-SG 2.86Å
78V93.6Very high90.8Very high41 Ų4171.2 Ų71.225%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-130.8152.6177.1-56.50000110.5L76 V86 E87 K89L76-V78 HydrophobicContact CD2-CG1 4.11Å; L76-V78 HydrophobicContact CG-CG1 4.09Å; L76-V78 PolarHBondContact O-N 2.87Å; V78-V86 CarbonylContact O-C 3.57Å; V78-V86 VanDerWaalsContact O-CA 3.26Å; V78-V86 WeakPolarHBondContact O-CA 3.47Å; V78-E87 HydrophobicContact CG2-CG 3.92Å; V78-E87 PolarHBondContact N-O 3.36Å; V78-E87 PolarHBondContact O-N 2.02Å; V78-K89 HydrophobicContact CG1-CG 4.18Å; V78-K89 HydrophobicContact CG2-CD 4.43Å; V78-K89 HydrophobicContact CG2-CG 3.56Å
79A90Very high91.1Very high48 Ų4868.7 Ų68.740%0.39735%0.346SS..EExtended strand (participates in β ladder)trans-69.5134168.500000109.7A63 V83A63-A79 HydrophobicContact CB-CB 4.41Å; A79-V83 HydrophobicContact CB-CG1 4.5Å
80K89.6Confident91.4Very high80 Ų8064.1 Ų64.135%0.34833%0.331SS..  trans-66.7172.6165.8-67.1-168.7-178.8-1770109.5K82 E85 E87K80-K82 CarbonylContact O-C 3.19Å; K80-K82 PolarHBondContact O-N 3.46Å; K80-E85 HydrophobicContact CB-CB 4.19Å; K80-E85 HydrophobicContact CD-CB 3.98Å; K80-E85 HydrophobicContact CG-CB 4.27Å; K80-E85 PolarHBondContact N-O 3.2Å; K80-E87 VanDerWaalsContact CE-OE2 3.23Å; K80-E87 WeakPolarHBondContact CE-OE2 3.24Å; K80-E87 HydrophobicContact CG-CB 4.14Å; K80-E87 HydrophobicContact CG-CG 3.77Å
81E79.9Confident91.6Very high207 Ų20769 Ų6997%0.96735%0.348SS*.SBendtrans-48.8-33.1172-66.4-177.7166.500112.2
82K75.6Confident91.7Very high116 Ų11671.5 Ų71.550%0.50436%0.358SS..SBendtrans-85.4105.7163.5-68.8171.7178.3-179.20109.4K80 F84 E85K80-K82 CarbonylContact O-C 3.19Å; K80-K82 PolarHBondContact O-N 3.46Å; K82-F84 HydrophobicContact CB-CD1 4.22Å; K82-F84 HydrophobicContact CB-CD2 4.35Å; K82-F84 HydrophobicContact CB-CE1 3.75Å; K82-F84 HydrophobicContact CB-CE2 3.89Å; K82-F84 HydrophobicContact CB-CZ 3.58Å; K82-F84 HydrophobicContact CD-CE1 4.46Å; K82-F84 HydrophobicContact CD-CE2 3.87Å; K82-F84 HydrophobicContact CD-CZ 3.58Å; K82-F84 HydrophobicContact CG-CE1 4.04Å; K82-F84 HydrophobicContact CG-CE2 4.24Å; K82-F84 HydrophobicContact CG-CZ 3.64Å; K82-F84 PolarHBondContact O-N 3.21Å; K82-E85 HydrophobicContact CB-CB 4.48Å; K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 WeakPolarHBondContact CD-OE1 3.27Å; K82-E85 IonicContact NZ-OE1 2.69Å; K82-E85 PolarHBondContact O-N 3.44Å; K82-E85 VanDerWaalsContact O-O 3.08Å
83V77.3Confident91.7Very high31 Ų3171.1 Ų71.119%0.18836%0.357CS..THydrogen-bonded Turntrans-59-17.7-176.4-176.60000114V55 A59 A63 A79 E85V55-V83 HydrophobicContact CG1-CB 4.24Å; V55-V83 HydrophobicContact CG1-CG1 4.2Å; V55-V83 HydrophobicContact CG1-CG2 4.02Å; V55-V83 HydrophobicContact CG2-CG2 4.02Å; A59-V83 HydrophobicContact CB-CG1 4.28Å; A63-V83 HydrophobicContact CB-CG1 3.92Å; A63-V83 VanDerWaalsContact CB-O 3.25Å; A63-V83 WeakPolarHBondContact CB-O 3.39Å; A79-V83 HydrophobicContact CB-CG1 4.5Å; V83-E85 VanDerWaalsContact C-N 3.32Å
84F81.4Confident91.8Very high72 Ų7269.4 Ų69.432%0.31635%0.345SS..THydrogen-bonded Turntrans-86.21.5174.754.5-93.8000114.3L66 K82L66-F84 VanDerWaalsContact CD1-O 3.32Å; L66-F84 WeakPolarHBondContact CD1-O 3.09Å; K82-F84 HydrophobicContact CB-CD1 4.22Å; K82-F84 HydrophobicContact CB-CD2 4.35Å; K82-F84 HydrophobicContact CB-CE1 3.75Å; K82-F84 HydrophobicContact CB-CE2 3.89Å; K82-F84 HydrophobicContact CB-CZ 3.58Å; K82-F84 HydrophobicContact CD-CE1 4.46Å; K82-F84 HydrophobicContact CD-CE2 3.87Å; K82-F84 HydrophobicContact CD-CZ 3.58Å; K82-F84 HydrophobicContact CG-CE1 4.04Å; K82-F84 HydrophobicContact CG-CE2 4.24Å; K82-F84 HydrophobicContact CG-CZ 3.64Å; K82-F84 PolarHBondContact O-N 3.21Å
85E89Confident91.8Very high73 Ų7369.5 Ų69.534%0.34135%0.349SS..  trans-120.2137.2171-66.4175-145.900108.3K80 K82 V83K80-E85 HydrophobicContact CB-CB 4.19Å; K80-E85 HydrophobicContact CD-CB 3.98Å; K80-E85 HydrophobicContact CG-CB 4.27Å; K80-E85 PolarHBondContact N-O 3.2Å; K82-E85 HydrophobicContact CB-CB 4.48Å; K82-E85 HydrophobicContact CB-CG 4.49Å; K82-E85 WeakPolarHBondContact CD-OE1 3.27Å; K82-E85 IonicContact NZ-OE1 2.69Å; K82-E85 PolarHBondContact O-N 3.44Å; K82-E85 VanDerWaalsContact O-O 3.08Å; V83-E85 VanDerWaalsContact C-N 3.32Å
86V93.2Very high91.8Very high27 Ų2770.6 Ų70.616%0.16436%0.36CS..EExtended strand (participates in β ladder)trans-116.8154.7175.8-63.70000109.8A63 L66 L70 V78A63-V86 HydrophobicContact CB-CG1 4.48Å; L66-V86 HydrophobicContact CB-CB 4.46Å; L66-V86 HydrophobicContact CB-CG1 3.83Å; L66-V86 HydrophobicContact CB-CG2 3.72Å; L66-V86 HydrophobicContact CD1-CG1 4.33Å; L70-V86 HydrophobicContact CB-CG2 4.38Å; L70-V86 HydrophobicContact CD2-CB 4.49Å; L70-V86 HydrophobicContact CD2-CG2 3.75Å; V78-V86 CarbonylContact O-C 3.57Å; V78-V86 VanDerWaalsContact O-CA 3.26Å; V78-V86 WeakPolarHBondContact O-CA 3.47Å
87E95.5Very high91.7Very high60 Ų6073 Ų7328%0.2837%0.373SS..EExtended strand (participates in β ladder)trans-140.5153.8171.960-177.6-173.200110.9V78 K80 K89V78-E87 HydrophobicContact CG2-CG 3.92Å; V78-E87 PolarHBondContact N-O 3.36Å; V78-E87 PolarHBondContact O-N 2.02Å; K80-E87 VanDerWaalsContact CE-OE2 3.23Å; K80-E87 WeakPolarHBondContact CE-OE2 3.24Å; K80-E87 HydrophobicContact CG-CB 4.14Å; K80-E87 HydrophobicContact CG-CG 3.77Å; E87-K89 WeakPolarHBondContact OE1-CE 3.33Å; E87-K89 IonicContact OE1-NZ 3.37Å; E87-K89 PolarHBondContact OE1-NZ 3.04Å
88C97.3Very high91.7Very high16 Ų1678.1 Ų78.111%0.10839%0.389CS..EExtended strand (participates in β ladder)trans-82123.5168.3-61.50000109.6C72 D97 C99C72-C88 VanDerWaalsContact CA-SG 3.52Å; C72-C88 HydrophobicContact CB-CB 3.8Å; C72-C88 WeakPolarHBondContact CB-SG 3.25Å; C72-C88 VanDerWaalsContact SG-CA 3.52Å; C72-C88 WeakPolarHBondContact SG-CB 3.13Å; C72-C88 CovalentContact SG-SG 2.03Å; C72-C88 PolarHBondContact SG-SG 3.09Å; C88-D97 WeakPolarHBondContact CB-O 3.35Å; C88-D97 PolarHBondContact SG-O 3.19Å; C88-C99 WeakPolarHBondContact CB-SG 3.47Å
89K97.1Very high91.9Very high112 Ų11276.2 Ų76.249%0.48738%0.377SS..EExtended strand (participates in β ladder)trans-87.8109.6161.6-68.3-66.7178.3-162.40108.1G75 L76 V78 E87G75-K89 CarbonylContact C-O 3.52Å; G75-K89 WeakPolarHBondContact CA-O 3.46Å; L76-K89 PolarHBondContact N-O 2.85Å; L76-K89 PolarHBondContact O-N 3.02Å; V78-K89 HydrophobicContact CG1-CG 4.18Å; V78-K89 HydrophobicContact CG2-CD 4.43Å; V78-K89 HydrophobicContact CG2-CG 3.56Å; E87-K89 WeakPolarHBondContact OE1-CE 3.33Å; E87-K89 IonicContact OE1-NZ 3.37Å; E87-K89 PolarHBondContact OE1-NZ 3.04Å
90C97.8Very high92.2Very high44 Ų4477.9 Ų77.930%0.29738%0.383SS..EExtended strand (participates in β ladder)trans-71.6145.1-177.2-55.10000112W94 G96 C99C90-W94 HydrophobicContact CB-CB 4.01Å; C90-W94 WeakPolarHBondContact CB-O 3.25Å; C90-G96 PolarHBondContact SG-O 3.48Å; C90-C99 WeakPolarHBondContact CA-SG 3.14Å; C90-C99 HydrophobicContact CB-CB 3.72Å; C90-C99 WeakPolarHBondContact CB-SG 3.35Å; C90-C99 PolarHBondContact N-SG 3.16Å; C90-C99 WeakPolarHBondContact SG-CA 3.3Å; C90-C99 WeakPolarHBondContact SG-CB 3.17Å; C90-C99 CovalentContact SG-SG 2.04Å; C90-C99 PolarHBondContact SG-SG 3.21Å
91Y97.1Very high92.5Very high139 Ų13978.6 Ų78.655%0.54539%0.39SS..PPolyproline II helixtrans-64158.9165.3-59.9-44.8000109.7N74 G93 W94N74-Y91 HydrophobicContact CB-CD2 4.31Å; N74-Y91 VanDerWaalsContact O-CD2 3.23Å; N74-Y91 WeakPolarHBondContact O-CD2 3.04Å; N74-Y91 PolarHBondContact O-N 2.96Å; Y91-G93 PolarHBondContact O-N 3.49Å; Y91-W94 PolarHBondContact O-N 3.05Å
92M95.4Very high93.2Very high150 Ų15071.4 Ų71.474%0.73936%0.358SS*.THydrogen-bonded Turntrans-53.6137.9176.3-62.4-68.8-17600109.9N121M92-N121 HydrophobicContact CB-CB 4.37Å; M92-N121 VanDerWaalsContact CB-CG 3.5Å; M92-N121 VanDerWaalsContact CB-OD1 3.3Å; M92-N121 WeakPolarHBondContact CB-OD1 3.5Å; M92-N121 WeakPolarHBondContact O-CB 3.47Å
93G95.2Very high94.2Very high8 Ų868.3 Ų68.38%0.08235%0.348CS..THydrogen-bonded Turntrans84.4-2.3-174.800000115.7Y91 V103Y91-G93 PolarHBondContact O-N 3.49Å; G93-V103 WeakPolarHBondContact O-CB 3.4Å; G93-V103 WeakPolarHBondContact O-CG2 3.02Å; G93-V103 PolarHBondContact O-N 2.71Å
94W97.6Very high95Very high56 Ų5671.4 Ų71.421%0.21236%0.364CS..EExtended strand (participates in β ladder)trans-120.1148.2179.8-6490.2000112.7N74 C90 Y91 C99 I101 D102 V120N74-W94 HydrophobicContact CB-CB 4.04Å; N74-W94 HydrophobicContact CB-CD2 3.44Å; N74-W94 VanDerWaalsContact CB-CD2 3.44Å; N74-W94 HydrophobicContact CB-CE3 4.1Å; N74-W94 HydrophobicContact CB-CG 3.37Å; N74-W94 HydrophobicContact CB-CZ2 4.38Å; N74-W94 VanDerWaalsContact CG-CD2 3.49Å; N74-W94 VanDerWaalsContact ND2-CD2 3.27Å; N74-W94 VanDerWaalsContact ND2-CE2 3.3Å; N74-W94 WeakPolarHBondContact ND2-CH2 3.15Å; N74-W94 VanDerWaalsContact ND2-CZ2 3.29Å; N74-W94 WeakPolarHBondContact ND2-CZ2 3.36Å; N74-W94 WeakPolarHBondContact ND2-CZ3 3.18Å; C90-W94 HydrophobicContact CB-CB 4.01Å; C90-W94 WeakPolarHBondContact CB-O 3.25Å; Y91-W94 PolarHBondContact O-N 3.05Å; W94-C99 HydrophobicContact CB-CB 4.26Å; W94-I101 CarbonylContact C-O 3.5Å; W94-I101 WeakPolarHBondContact CA-O 3.21Å; W94-D102 HydrophobicContact CE3-CB 4.44Å; W94-D102 HydrophobicContact CH2-CB 4.46Å; W94-D102 HydrophobicContact CZ3-CB 4.09Å; W94-V120 HydrophobicContact CZ2-CG1 4.19Å; W94-V120 HydrophobicContact CZ2-CG2 3.86Å
95S96.3Very high95.7Very high42 Ų4269.9 Ų69.929%0.29436%0.358SS..EExtended strand (participates in β ladder)trans-143.5175-179.369.60000113.2C99 T100 I101S95-C99 CarbonylContact O-C 3.34Å; S95-C99 VanDerWaalsContact O-CA 3.31Å; S95-C99 WeakPolarHBondContact O-CA 3.4Å; S95-T100 PolarHBondContact O-N 3.28Å; S95-I101 PolarHBondContact N-O 2.04Å; S95-I101 WeakPolarHBondContact O-CB 3.45Å; S95-I101 PolarHBondContact O-N 3.04Å; S95-I101 VanDerWaalsContact O-N 3.08Å; S95-I101 WeakPolarHBondContact OG-CB 3.37Å; S95-I101 WeakPolarHBondContact OG-CG2 3.22Å; S95-I101 PolarHBondContact OG-O 2.77Å
96G96.3Very high96.1Very high32 Ų3267.9 Ų67.933%0.3335%0.352SS..THydrogen-bonded Turntrans86.2163.9-175.500000113.2C90 R98 C99C90-G96 PolarHBondContact SG-O 3.48Å; G96-R98 PolarHBondContact O-N 2.99Å; G96-C99 PolarHBondContact O-N 3.46Å
97D95.3Very high95.9Very high153 Ų15371.2 Ų71.282%0.81838%0.382SS*.THydrogen-bonded Turntrans-61.3-21.9-171.5-63.3-23.1000114.2C88C88-D97 WeakPolarHBondContact CB-O 3.35Å; C88-D97 PolarHBondContact SG-O 3.19Å
98R96.2Very high95.6Very high134 Ų13475.6 Ų75.651%0.50641%0.407SS..THydrogen-bonded Turntrans-115.39.8176.5-66.1-168.5176.1-159.8-2.6113.9L70 I73 G96 T100L70-R98 HydrophobicContact CD1-CG 4.25Å; I73-R98 PolarHBondContact N-O 3.31Å; G96-R98 PolarHBondContact O-N 2.99Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 HydrophobicContact CB-CG2 3.89Å; R98-T100 PolarHBondContact O-N 2.92Å
99C97.4Very high95.3Very high0 Ų076 Ų760%041%0.412CS..THydrogen-bonded Turntrans5540.8-178-49.50000113.2N74 C88 C90 W94 S95 G96N74-C99 HydrophobicContact CB-CB 4.29Å; N74-C99 WeakPolarHBondContact CB-O 3.17Å; N74-C99 PolarHBondContact ND2-O 3.23Å; N74-C99 WeakPolarHBondContact O-CB 3.42Å; C88-C99 WeakPolarHBondContact CB-SG 3.47Å; C90-C99 WeakPolarHBondContact CA-SG 3.14Å; C90-C99 HydrophobicContact CB-CB 3.72Å; C90-C99 WeakPolarHBondContact CB-SG 3.35Å; C90-C99 PolarHBondContact N-SG 3.16Å; C90-C99 WeakPolarHBondContact SG-CA 3.3Å; C90-C99 WeakPolarHBondContact SG-CB 3.17Å; C90-C99 CovalentContact SG-SG 2.04Å; C90-C99 PolarHBondContact SG-SG 3.21Å; W94-C99 HydrophobicContact CB-CB 4.26Å; S95-C99 CarbonylContact O-C 3.34Å; S95-C99 VanDerWaalsContact O-CA 3.31Å; S95-C99 WeakPolarHBondContact O-CA 3.4Å; G96-C99 PolarHBondContact O-N 3.46Å
100T96.5Very high95.2Very high83 Ų8372.4 Ų72.451%0.50941%0.407SS..  trans-101.8-10-178.155.30000113.1I73 S95 R98I73-T100 HydrophobicContact CB-CG2 4.37Å; I73-T100 HydrophobicContact CG1-CG2 3.81Å; S95-T100 PolarHBondContact O-N 3.28Å; R98-T100 VanDerWaalsContact C-N 3.26Å; R98-T100 HydrophobicContact CB-CG2 3.89Å; R98-T100 PolarHBondContact O-N 2.92Å
101I95.8Very high95.2Very high96 Ų9671.7 Ų71.749%0.49240%0.401SS..EExtended strand (participates in β ladder)trans-99.7114.1-177.4-56.9172.6000107.2W94 S95 V103W94-I101 CarbonylContact C-O 3.5Å; W94-I101 WeakPolarHBondContact CA-O 3.21Å; S95-I101 PolarHBondContact N-O 2.04Å; S95-I101 WeakPolarHBondContact O-CB 3.45Å; S95-I101 PolarHBondContact O-N 3.04Å; S95-I101 VanDerWaalsContact O-N 3.08Å; S95-I101 WeakPolarHBondContact OG-CB 3.37Å; S95-I101 WeakPolarHBondContact OG-CG2 3.22Å; S95-I101 PolarHBondContact OG-O 2.77Å; I101-V103 PolarHBondContact O-N 3.07Å
102D95Very high95.1Very high56 Ų5670.3 Ų70.330%0.29940%0.403SS..EExtended strand (participates in β ladder)trans-64.2129.6169.3-158.79.3000108.6W94 N104W94-D102 HydrophobicContact CE3-CB 4.44Å; W94-D102 HydrophobicContact CH2-CB 4.46Å; W94-D102 HydrophobicContact CZ3-CB 4.09Å; D102-N104 PolarHBondContact O-N 3.01Å
103V95.6Very high95.2Very high50 Ų5065.4 Ų65.430%0.30338%0.379SS..  trans-76.8121.2-179.2173.10000107.3G93 I101 E105G93-V103 WeakPolarHBondContact O-CB 3.4Å; G93-V103 WeakPolarHBondContact O-CG2 3.02Å; G93-V103 PolarHBondContact O-N 2.71Å; I101-V103 PolarHBondContact O-N 3.07Å; V103-E105 VanDerWaalsContact CB-OE1 3.32Å; V103-E105 WeakPolarHBondContact CB-OE1 3.07Å; V103-E105 VanDerWaalsContact CG1-OE1 3.24Å; V103-E105 WeakPolarHBondContact CG1-OE1 3.44Å; V103-E105 PolarHBondContact O-N 2.94Å
104N95.2Very high95.2Very high97 Ų9765.5 Ų65.552%0.51938%0.38SS..  trans-74.397.4179.1-175-25.7000110.7D102 C106 D118D102-N104 PolarHBondContact O-N 3.01Å; N104-C106 PolarHBondContact O-N 3.24Å; N104-C106 WeakPolarHBondContact OD1-CA 3.01Å; N104-C106 WeakPolarHBondContact OD1-CB 3.31Å; N104-C106 PolarHBondContact OD1-N 2.88Å; N104-D118 WeakPolarHBondContact CA-OD1 3.06Å
105E95.6Very high95.2Very high40 Ų4068.8 Ų68.819%0.18739%0.393CS..G310 helixtrans-73.3-13.4178.8-84.788.5-141.100112.8V103 A107 N108 A109 D118 N121 G122 Y123V103-E105 VanDerWaalsContact CB-OE1 3.32Å; V103-E105 WeakPolarHBondContact CB-OE1 3.07Å; V103-E105 VanDerWaalsContact CG1-OE1 3.24Å; V103-E105 WeakPolarHBondContact CG1-OE1 3.44Å; V103-E105 PolarHBondContact O-N 2.94Å; E105-A107 PolarHBondContact O-N 3.15Å; E105-N108 PolarHBondContact O-N 2.99Å; E105-A109 PolarHBondContact O-N 2.77Å; E105-D118 PolarHBondContact N-OD1 2.94Å; E105-N121 WeakPolarHBondContact OE2-CA 3.4Å; E105-N121 PolarHBondContact OE2-N 3.17Å; E105-G122 PolarHBondContact OE2-N 3.47Å; E105-Y123 HydrophobicContact CB-CD1 4.25Å
106C96.2Very high95.3Very high31 Ų3168.5 Ų68.521%0.20939%0.391CS..G310 helixtrans-67.4-20.6177.9-66.30000114.4N104 N108 A109 C116 I117 D118N104-C106 PolarHBondContact O-N 3.24Å; N104-C106 WeakPolarHBondContact OD1-CA 3.01Å; N104-C106 WeakPolarHBondContact OD1-CB 3.31Å; N104-C106 PolarHBondContact OD1-N 2.88Å; C106-N108 PolarHBondContact O-N 3.41Å; C106-A109 HydrophobicContact CB-CB 4.47Å; C106-A109 PolarHBondContact O-N 3.4Å; C106-A109 VanDerWaalsContact O-N 3.14Å; C106-C116 WeakPolarHBondContact CA-SG 3.29Å; C106-C116 HydrophobicContact CB-CB 3.54Å; C106-C116 WeakPolarHBondContact CB-SG 2.98Å; C106-C116 VanDerWaalsContact SG-C 3.54Å; C106-C116 WeakPolarHBondContact SG-CB 2.92Å; C106-C116 CovalentContact SG-SG 2.03Å; C106-C116 PolarHBondContact SG-SG 2.82Å; C106-I117 VanDerWaalsContact SG-C 3.59Å; C106-D118 PolarHBondContact SG-N 2.04Å; C106-D118 VanDerWaalsContact SG-N 3.41Å
107A89.2Confident95.3Very high97 Ų9769.8 Ų69.880%0.80239%0.39SS*.G310 helixtrans-60.8-26.4177.100000113E105E105-A107 PolarHBondContact O-N 3.15Å
108N89.5Confident95.3Very high152 Ų15264.9 Ų64.981%0.81336%0.364SS*.G310 helixtrans-11917.3175.9-160.854.3000112.3E105 C106E105-N108 PolarHBondContact O-N 2.99Å; C106-N108 PolarHBondContact O-N 3.41Å
109A92Very high95.3Very high24 Ų2462.2 Ų62.220%0.19836%0.359CS..  trans-70.7136.1179.800000111.5E105 C106 C111 C116 Y123E105-A109 PolarHBondContact O-N 2.77Å; C106-A109 HydrophobicContact CB-CB 4.47Å; C106-A109 PolarHBondContact O-N 3.4Å; C106-A109 VanDerWaalsContact O-N 3.14Å; A109-C111 PolarHBondContact O-N 2.9Å; A109-C116 HydrophobicContact CB-CB 4.04Å; A109-C116 WeakPolarHBondContact CB-SG 3.39Å; A109-Y123 HydrophobicContact CB-CD1 4.14Å; A109-Y123 HydrophobicContact CB-CD2 3.49Å; A109-Y123 VanDerWaalsContact CB-CD2 3.49Å; A109-Y123 HydrophobicContact CB-CE1 4.15Å; A109-Y123 HydrophobicContact CB-CE2 3.5Å; A109-Y123 HydrophobicContact CB-CG 3.83Å
110G94.2Very high95.1Very high37 Ų3766.2 Ų66.238%0.38138%0.383SS..  trans-85.336.3178.600000114.1I112 Y123 S135G110-I112 PolarHBondContact O-N 3.07Å; G110-Y123 PolarHBondContact N-OH 3.41Å; G110-S135 VanDerWaalsContact O-CB 3.27Å; G110-S135 WeakPolarHBondContact O-CB 3.5Å
111C96.8Very high95Very high28 Ų2866.8 Ų66.819%0.18938%0.383CS..  trans-76.4104.1179.9-54.70000110.3A109 C125A109-C111 PolarHBondContact O-N 2.9Å; C111-C125 WeakPolarHBondContact CA-SG 3.27Å; C111-C125 HydrophobicContact CB-CB 3.86Å; C111-C125 WeakPolarHBondContact CB-SG 3.1Å; C111-C125 VanDerWaalsContact SG-CA 3.56Å; C111-C125 WeakPolarHBondContact SG-CB 3.32Å; C111-C125 CovalentContact SG-SG 2.03Å; C111-C125 PolarHBondContact SG-SG 2.89Å
112I96.4Very high94.9Very high111 Ų11163.2 Ų63.257%0.56937%0.37SS*.SBendtrans-76.5-56.2-174.5-52.9-172.3000111.1G110 S135 A137G110-I112 PolarHBondContact O-N 3.07Å; I112-S135 PolarHBondContact N-O 2.8Å; I112-A137 HydrophobicContact CD1-CB 3.59Å; I112-A137 HydrophobicContact CG1-CB 4.42Å
113N96.1Very high95Very high47 Ų4765.3 Ų65.325%0.25137%0.374SS..SBendtrans-122.455.5-179.8-57.9-73.7000110.6Y128 F131 C136N113-Y128 HydrophobicContact CB-CD2 4.4Å; N113-Y128 VanDerWaalsContact O-CD2 3.31Å; N113-Y128 WeakPolarHBondContact O-CD2 3.14Å; N113-Y128 PolarHBondContact O-N 2.88Å; N113-F131 HydrophobicContact CB-CB 4.04Å; N113-F131 HydrophobicContact CB-CD1 3.62Å; N113-F131 HydrophobicContact CB-CD2 3.55Å; N113-F131 HydrophobicContact CB-CE1 3.89Å; N113-F131 HydrophobicContact CB-CE2 3.81Å; N113-F131 HydrophobicContact CB-CG 3.44Å; N113-F131 VanDerWaalsContact CB-CG 3.44Å; N113-F131 HydrophobicContact CB-CZ 3.97Å; N113-F131 VanDerWaalsContact CG-CE1 3.43Å; N113-F131 WeakPolarHBondContact ND2-CD1 3.41Å; N113-F131 WeakPolarHBondContact ND2-CE1 3.48Å; N113-C136 HydrophobicContact CB-CB 4.39Å; N113-C136 WeakPolarHBondContact CB-O 3.4Å; N113-C136 PolarHBondContact ND2-O 3.37Å; N113-C136 VanDerWaalsContact ND2-O 3.15Å; N113-C136 WeakPolarHBondContact O-CB 2.99Å
114G96.7Very high95.1Very high10 Ų1068 Ų6810%0.10338%0.382CS..EExtended strand (participates in β ladder)trans-165.3173.7179.900000111.8E126G114-E126 CarbonylContact C-O 3.41Å; G114-E126 WeakPolarHBondContact CA-O 3.01Å
115Y96.7Very high95.2Very high124 Ų12463.9 Ų63.949%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-101148.5170.667.2-85.4000110.1I117 C125 E126 Y128Y115-I117 HydrophobicContact CD2-CG1 4.23Å; Y115-I117 HydrophobicContact CE2-CD1 4.13Å; Y115-I117 HydrophobicContact CE2-CG1 3.84Å; Y115-C125 WeakPolarHBondContact O-CA 3.23Å; Y115-E126 HydrophobicContact CD1-CB 3.86Å; Y115-E126 HydrophobicContact CD2-CB 4.21Å; Y115-E126 HydrophobicContact CE1-CB 3.33Å; Y115-E126 HydrophobicContact CE1-CG 4.22Å; Y115-E126 HydrophobicContact CE2-CB 3.74Å; Y115-E126 HydrophobicContact CE2-CG 3.91Å; Y115-E126 HydrophobicContact CG-CB 4.28Å; Y115-E126 PolarHBondContact N-O 3.28Å; Y115-E126 PolarHBondContact O-N 3.31Å; Y115-Y128 HydrophobicContact CD1-CE1 4.3Å
116C97.9Very high95.3Very high36 Ų3664.9 Ų64.924%0.24337%0.365CS..EExtended strand (participates in β ladder)trans-89.8134.7179.6-178.20000110.8C106 A109 Y123C106-C116 WeakPolarHBondContact CA-SG 3.29Å; C106-C116 HydrophobicContact CB-CB 3.54Å; C106-C116 WeakPolarHBondContact CB-SG 2.98Å; C106-C116 VanDerWaalsContact SG-C 3.54Å; C106-C116 WeakPolarHBondContact SG-CB 2.92Å; C106-C116 CovalentContact SG-SG 2.03Å; C106-C116 PolarHBondContact SG-SG 2.82Å; A109-C116 HydrophobicContact CB-CB 4.04Å; A109-C116 WeakPolarHBondContact CB-SG 3.39Å; C116-Y123 VanDerWaalsContact SG-CB 3.54Å
117I97.4Very high95.4Very high59 Ų5965.4 Ų65.430%0.30337%0.369SS..EExtended strand (participates in β ladder)trans-103.8120.3166.7-61-176.4000107.3C106 Y115 L119 Y123 K124 E126C106-I117 VanDerWaalsContact SG-C 3.59Å; Y115-I117 HydrophobicContact CD2-CG1 4.23Å; Y115-I117 HydrophobicContact CE2-CD1 4.13Å; Y115-I117 HydrophobicContact CE2-CG1 3.84Å; I117-L119 HydrophobicContact CG2-CD2 4.04Å; I117-Y123 CarbonylContact O-C 3.57Å; I117-Y123 VanDerWaalsContact O-CA 3.31Å; I117-Y123 WeakPolarHBondContact O-CA 3.45Å; I117-K124 PolarHBondContact N-O 2.89Å; I117-K124 PolarHBondContact O-N 2.03Å; I117-E126 HydrophobicContact CD1-CG 3.36Å; I117-E126 HydrophobicContact CG1-CG 3.98Å
118D95.9Very high95.6Very high51 Ų5167 Ų6727%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-70.5132.4173.3-161.441.5000109.7N104 E105 C106N104-D118 WeakPolarHBondContact CA-OD1 3.06Å; E105-D118 PolarHBondContact N-OD1 2.94Å; C106-D118 PolarHBondContact SG-N 2.04Å; C106-D118 VanDerWaalsContact SG-N 3.41Å
119L95.2Very high95.7Very high78 Ų7866.4 Ų66.441%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-131.1162178.5-60.5176.5000107.8I117 N121 G122 K124I117-L119 HydrophobicContact CG2-CD2 4.04Å; L119-N121 PolarHBondContact O-N 3.5Å; L119-G122 CarbonylContact C-O 3.17Å; L119-G122 WeakPolarHBondContact CA-O 3.33Å; L119-G122 PolarHBondContact N-O 3.22Å; L119-G122 PolarHBondContact O-N 2.87Å; L119-K124 HydrophobicContact CD1-CB 3.87Å
120V92.7Very high95.7Very high84 Ų8465.5 Ų65.551%0.50934%0.343SS..THydrogen-bonded Turntrans-62118174.7178.30000109.9W94 G122W94-V120 HydrophobicContact CZ2-CG1 4.19Å; W94-V120 HydrophobicContact CZ2-CG2 3.86Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 2.9Å
121N94Very high95.7Very high94 Ų9465.9 Ų65.950%0.50334%0.335SS..THydrogen-bonded Turntrans59.139.6177.9-171.341.9000113.1M92 E105 L119M92-N121 HydrophobicContact CB-CB 4.37Å; M92-N121 VanDerWaalsContact CB-CG 3.5Å; M92-N121 VanDerWaalsContact CB-OD1 3.3Å; M92-N121 WeakPolarHBondContact CB-OD1 3.5Å; M92-N121 WeakPolarHBondContact O-CB 3.47Å; E105-N121 WeakPolarHBondContact OE2-CA 3.4Å; E105-N121 PolarHBondContact OE2-N 3.17Å; L119-N121 PolarHBondContact O-N 3.5Å
122G94.3Very high95.6Very high21 Ų2167.4 Ų67.422%0.21634%0.343CS..EExtended strand (participates in β ladder)trans168.8-172.6177.700000113.2E105 L119 V120E105-G122 PolarHBondContact OE2-N 3.47Å; L119-G122 CarbonylContact C-O 3.17Å; L119-G122 WeakPolarHBondContact CA-O 3.33Å; L119-G122 PolarHBondContact N-O 3.22Å; L119-G122 PolarHBondContact O-N 2.87Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 2.9Å
123Y96.8Very high95.6Very high101 Ų10163.6 Ų63.640%0.39633%0.331SS..EExtended strand (participates in β ladder)trans-147.6162.717867.8-87.2000110.9E105 A109 G110 C116 I117E105-Y123 HydrophobicContact CB-CD1 4.25Å; A109-Y123 HydrophobicContact CB-CD1 4.14Å; A109-Y123 HydrophobicContact CB-CD2 3.49Å; A109-Y123 VanDerWaalsContact CB-CD2 3.49Å; A109-Y123 HydrophobicContact CB-CE1 4.15Å; A109-Y123 HydrophobicContact CB-CE2 3.5Å; A109-Y123 HydrophobicContact CB-CG 3.83Å; G110-Y123 PolarHBondContact N-OH 3.41Å; C116-Y123 VanDerWaalsContact SG-CB 3.54Å; I117-Y123 CarbonylContact O-C 3.57Å; I117-Y123 VanDerWaalsContact O-CA 3.31Å; I117-Y123 WeakPolarHBondContact O-CA 3.45Å
124K97.5Very high95.6Very high106 Ų10665.9 Ų65.946%0.46136%0.357SS..EExtended strand (participates in β ladder)trans-128.8133.5171.1-177.6-171.3178.2-154.90109.4I117 L119 E126I117-K124 PolarHBondContact N-O 2.89Å; I117-K124 PolarHBondContact O-N 2.03Å; L119-K124 HydrophobicContact CD1-CB 3.87Å; K124-E126 WeakPolarHBondContact CE-OE1 3.29Å; K124-E126 IonicContact NZ-OE1 3.97Å; K124-E126 PolarHBondContact NZ-OE1 3.5Å
125C98.2Very high95.6Very high11 Ų1167.6 Ų67.67%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-85.6129.3168.8-56.30000110.2C111 Y115 A134 C136C111-C125 WeakPolarHBondContact CA-SG 3.27Å; C111-C125 HydrophobicContact CB-CB 3.86Å; C111-C125 WeakPolarHBondContact CB-SG 3.1Å; C111-C125 VanDerWaalsContact SG-CA 3.56Å; C111-C125 WeakPolarHBondContact SG-CB 3.32Å; C111-C125 CovalentContact SG-SG 2.03Å; C111-C125 PolarHBondContact SG-SG 2.89Å; Y115-C125 WeakPolarHBondContact O-CA 3.23Å; C125-A134 WeakPolarHBondContact CB-O 3.34Å; C125-A134 PolarHBondContact SG-O 3.32Å; C125-C136 VanDerWaalsContact CB-SG 3.57Å
126E97.7Very high95.7Very high61 Ų6161.7 Ų61.729%0.28534%0.344SS..EExtended strand (participates in β ladder)trans-97.3116.6164.1-73.1-67162.900108.5G114 Y115 I117 K124G114-E126 CarbonylContact C-O 3.41Å; G114-E126 WeakPolarHBondContact CA-O 3.01Å; Y115-E126 HydrophobicContact CD1-CB 3.86Å; Y115-E126 HydrophobicContact CD2-CB 4.21Å; Y115-E126 HydrophobicContact CE1-CB 3.33Å; Y115-E126 HydrophobicContact CE1-CG 4.22Å; Y115-E126 HydrophobicContact CE2-CB 3.74Å; Y115-E126 HydrophobicContact CE2-CG 3.91Å; Y115-E126 HydrophobicContact CG-CB 4.28Å; Y115-E126 PolarHBondContact N-O 3.28Å; Y115-E126 PolarHBondContact O-N 3.31Å; I117-E126 HydrophobicContact CD1-CG 3.36Å; I117-E126 HydrophobicContact CG1-CG 3.98Å; K124-E126 WeakPolarHBondContact CE-OE1 3.29Å; K124-E126 IonicContact NZ-OE1 3.97Å; K124-E126 PolarHBondContact NZ-OE1 3.5Å
127C97.2Very high95.6Very high41 Ų4162.4 Ų62.428%0.27735%0.352SS..EExtended strand (participates in β ladder)trans-79142.1-171.7-55.30000112.1F131 G133 C136C127-F131 HydrophobicContact CB-CB 4.16Å; C127-F131 VanDerWaalsContact CB-O 3.27Å; C127-F131 WeakPolarHBondContact CB-O 3.24Å; C127-G133 PolarHBondContact SG-O 3.28Å; C127-C136 WeakPolarHBondContact CA-SG 3.27Å; C127-C136 HydrophobicContact CB-CB 3.71Å; C127-C136 WeakPolarHBondContact CB-SG 3.46Å; C127-C136 PolarHBondContact N-SG 2.82Å; C127-C136 WeakPolarHBondContact SG-CA 3.02Å; C127-C136 WeakPolarHBondContact SG-CB 3.34Å; C127-C136 CovalentContact SG-SG 2.04Å; C127-C136 PolarHBondContact SG-SG 3.18Å
128Y95.2Very high95.5Very high131 Ų13164.3 Ų64.351%0.51436%0.362SS..PPolyproline II helixtrans-63.7158.7167.3-60.6-45.2000110.4N113 Y115 G130 F131N113-Y128 HydrophobicContact CB-CD2 4.4Å; N113-Y128 VanDerWaalsContact O-CD2 3.31Å; N113-Y128 WeakPolarHBondContact O-CD2 3.14Å; N113-Y128 PolarHBondContact O-N 2.88Å; Y115-Y128 HydrophobicContact CD1-CE1 4.3Å; Y128-G130 PolarHBondContact O-N 2.79Å; Y128-F131 PolarHBondContact O-N 2.04Å
129I90.5Very high95.3Very high140 Ų14067 Ų6772%0.71837%0.373SS*.THydrogen-bonded Turntrans-52.2134.2176.4-168.5168000110.5Y145I129-Y145 HydrophobicContact CD1-CD2 4.18Å; I129-Y145 HydrophobicContact CG1-CD2 3.67Å; I129-Y145 HydrophobicContact CG1-CE2 4.22Å
130G91.6Very high95.2Very high5 Ų565.6 Ų65.65%0.05237%0.366CS..THydrogen-bonded Turntrans84.57.7-177.400000115.2Y128 L140Y128-G130 PolarHBondContact O-N 2.79Å; G130-L140 PolarHBondContact O-N 3.16Å
131F95.2Very high95.1Very high45 Ų4563.5 Ų63.520%0.19736%0.355CS..EExtended strand (participates in β ladder)trans-129.3153.4174.4-62.8-86.9000112.7N113 C127 Y128 C136 I138 E139N113-F131 HydrophobicContact CB-CB 4.04Å; N113-F131 HydrophobicContact CB-CD1 3.62Å; N113-F131 HydrophobicContact CB-CD2 3.55Å; N113-F131 HydrophobicContact CB-CE1 3.89Å; N113-F131 HydrophobicContact CB-CE2 3.81Å; N113-F131 HydrophobicContact CB-CG 3.44Å; N113-F131 VanDerWaalsContact CB-CG 3.44Å; N113-F131 HydrophobicContact CB-CZ 3.97Å; N113-F131 VanDerWaalsContact CG-CE1 3.43Å; N113-F131 WeakPolarHBondContact ND2-CD1 3.41Å; N113-F131 WeakPolarHBondContact ND2-CE1 3.48Å; C127-F131 HydrophobicContact CB-CB 4.16Å; C127-F131 VanDerWaalsContact CB-O 3.27Å; C127-F131 WeakPolarHBondContact CB-O 3.24Å; Y128-F131 PolarHBondContact O-N 2.04Å; F131-C136 HydrophobicContact CB-CB 4.39Å; F131-I138 CarbonylContact C-O 3.56Å; F131-I138 VanDerWaalsContact CA-O 3.23Å; F131-I138 WeakPolarHBondContact CA-O 3.46Å; F131-E139 HydrophobicContact CD1-CB 4.3Å; F131-E139 HydrophobicContact CE1-CB 4.07Å; F131-E139 HydrophobicContact CE1-CG 4.15Å
132T95.2Very high94.8Very high60 Ų6059.3 Ų59.337%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-147.3176.3178.7-165.50000112.5C136 I138 L140T132-C136 CarbonylContact O-C 3.43Å; T132-C136 WeakPolarHBondContact O-CA 3.48Å; T132-I138 HydrophobicContact CG2-CB 3.74Å; T132-I138 HydrophobicContact CG2-CD1 4.47Å; T132-I138 HydrophobicContact CG2-CG2 3.76Å; T132-I138 PolarHBondContact N-O 3Å; T132-I138 WeakPolarHBondContact O-CB 3.29Å; T132-I138 PolarHBondContact O-N 3.37Å; T132-L140 HydrophobicContact CG2-CD2 3.52Å; T132-L140 HydrophobicContact CG2-CG 3.99Å
133G96.1Very high94.7Very high30 Ų3059.6 Ų59.631%0.30933%0.331SS..SBendtrans90.8165.7-177.600000113.3C127 S135 C136C127-G133 PolarHBondContact SG-O 3.28Å; G133-S135 PolarHBondContact O-N 2.99Å; G133-S135 VanDerWaalsContact O-N 3.16Å; G133-C136 PolarHBondContact O-N 2.76Å
134A95.7Very high94.3Very high96 Ų9660.6 Ų60.679%0.79334%0.343SS*.THydrogen-bonded Turntrans-59.8-30.1-173.500000114C125C125-A134 WeakPolarHBondContact CB-O 3.34Å; C125-A134 PolarHBondContact SG-O 3.32Å
135S97Very high93.7Very high46 Ų4658.9 Ų58.932%0.32233%0.334SS..THydrogen-bonded Turntrans-104.73.6176.555.10000113.7G110 I112 G133 A137G110-S135 VanDerWaalsContact O-CB 3.27Å; G110-S135 WeakPolarHBondContact O-CB 3.5Å; I112-S135 PolarHBondContact N-O 2.8Å; G133-S135 PolarHBondContact O-N 2.99Å; G133-S135 VanDerWaalsContact O-N 3.16Å; S135-A137 PolarHBondContact O-N 2.78Å; S135-A137 WeakPolarHBondContact OG-CB 3.37Å
136C97.6Very high92.9Very high0 Ų061.1 Ų61.10%035%0.347CS..SBendtrans56.531.1-173.6-50.90000113.9N113 C125 C127 F131 T132 G133N113-C136 HydrophobicContact CB-CB 4.39Å; N113-C136 WeakPolarHBondContact CB-O 3.4Å; N113-C136 PolarHBondContact ND2-O 3.37Å; N113-C136 VanDerWaalsContact ND2-O 3.15Å; N113-C136 WeakPolarHBondContact O-CB 2.99Å; C125-C136 VanDerWaalsContact CB-SG 3.57Å; C127-C136 WeakPolarHBondContact CA-SG 3.27Å; C127-C136 HydrophobicContact CB-CB 3.71Å; C127-C136 WeakPolarHBondContact CB-SG 3.46Å; C127-C136 PolarHBondContact N-SG 2.82Å; C127-C136 WeakPolarHBondContact SG-CA 3.02Å; C127-C136 WeakPolarHBondContact SG-CB 3.34Å; C127-C136 CovalentContact SG-SG 2.04Å; C127-C136 PolarHBondContact SG-SG 3.18Å; F131-C136 HydrophobicContact CB-CB 4.39Å; T132-C136 CarbonylContact O-C 3.43Å; T132-C136 WeakPolarHBondContact O-CA 3.48Å; G133-C136 PolarHBondContact O-N 2.76Å
137A97.1Very high92.3Very high51 Ų5164.2 Ų64.242%0.42138%0.376SS..  trans-83.6-18.7-179.400000113.4I112 S135I112-A137 HydrophobicContact CD1-CB 3.59Å; I112-A137 HydrophobicContact CG1-CB 4.42Å; S135-A137 PolarHBondContact O-N 2.78Å; S135-A137 WeakPolarHBondContact OG-CB 3.37Å
138I94.5Very high91.9Very high99 Ų9964.8 Ų64.851%0.50837%0.372SS..EExtended strand (participates in β ladder)trans-93.2117.7-173.4-55.8171.6000108.3F131 T132F131-I138 CarbonylContact C-O 3.56Å; F131-I138 VanDerWaalsContact CA-O 3.23Å; F131-I138 WeakPolarHBondContact CA-O 3.46Å; T132-I138 HydrophobicContact CG2-CB 3.74Å; T132-I138 HydrophobicContact CG2-CD1 4.47Å; T132-I138 HydrophobicContact CG2-CG2 3.76Å; T132-I138 PolarHBondContact N-O 3Å; T132-I138 WeakPolarHBondContact O-CB 3.29Å; T132-I138 PolarHBondContact O-N 3.37Å
139E92.7Very high91.8Very high106 Ų10664.2 Ų64.250%0.49538%0.378SS..EExtended strand (participates in β ladder)trans-75.7125.9171.9-168169.1-15900109.2F131 K160F131-E139 HydrophobicContact CD1-CB 4.3Å; F131-E139 HydrophobicContact CE1-CB 4.07Å; F131-E139 HydrophobicContact CE1-CG 4.15Å; E139-K160 WeakPolarHBondContact OE1-CE 3.05Å; E139-K160 IonicContact OE1-NZ 2.7Å; E139-K160 PolarHBondContact OE1-NZ 3.46Å
140L92.2Very high92Very high50 Ų5057.9 Ų57.926%0.26235%0.346SS..PPolyproline II helixtrans-76.6148.3175.6-71.4171.9000110G130 T132 Y145G130-L140 PolarHBondContact O-N 3.16Å; T132-L140 HydrophobicContact CG2-CD2 3.52Å; T132-L140 HydrophobicContact CG2-CG 3.99Å; L140-Y145 HydrophobicContact CB-CD1 3.68Å; L140-Y145 HydrophobicContact CB-CG 4.37Å; L140-Y145 WeakPolarHBondContact O-CE1 3.49Å
141S90.2Very high92.1Very high39 Ų3959.7 Ų59.727%0.27337%0.365SS..PPolyproline II helixtrans-60.7137.3169.5178.70000109.7C143 D144 Y145S141-C143 PolarHBondContact O-N 3.06Å; S141-C143 PolarHBondContact OG-N 3.32Å; S141-D144 VanDerWaalsContact CB-OD2 3.24Å; S141-D144 WeakPolarHBondContact CB-OD2 3.15Å; S141-D144 PolarHBondContact O-N 3.15Å; S141-Y145 WeakPolarHBondContact O-CD1 3.5Å; S141-Y145 PolarHBondContact O-N 3.26Å
142P89.4Confident92Very high7 Ų762.7 Ų62.75%0.04538%0.378CS..Hα-helixtrans-50.7-23.5168.8-26.632.4000114.6Y145 V146 A157 G159 K160 P162P142-Y145 HydrophobicContact CB-CE1 4.2Å; P142-Y145 HydrophobicContact CG-CE1 4.22Å; P142-V146 WeakPolarHBondContact O-CB 3.48Å; P142-V146 PolarHBondContact O-N 2.03Å; P142-A157 HydrophobicContact CG-CB 4.22Å; P142-G159 WeakPolarHBondContact CG-O 3.13Å; P142-K160 WeakPolarHBondContact CG-O 3.24Å; P142-P162 HydrophobicContact CB-CB 3.93Å; P142-P162 HydrophobicContact CB-CG 4.05Å
143C91.6Very high92Very high27 Ų2760.6 Ų60.618%0.18237%0.369CS..Hα-helixtrans-76.5-20173.8-65.70000114.7S141 C155 V156S141-C143 PolarHBondContact O-N 3.06Å; S141-C143 PolarHBondContact OG-N 3.32Å; C143-C155 WeakPolarHBondContact CA-SG 3.08Å; C143-C155 HydrophobicContact CB-CB 3.66Å; C143-C155 WeakPolarHBondContact CB-SG 2.99Å; C143-C155 WeakPolarHBondContact SG-CB 3.45Å; C143-C155 CovalentContact SG-SG 2.04Å; C143-C155 PolarHBondContact SG-SG 3.23Å; C143-V156 VanDerWaalsContact SG-CA 3.56Å; C143-V156 PolarHBondContact SG-N 3.21Å
144D88.2Confident91.9Very high122 Ų12267.2 Ų67.265%0.65239%0.385SS*.Hα-helixtrans-97.1-29.2-175.5-60.6-27.4000112.2S141S141-D144 VanDerWaalsContact CB-OD2 3.24Å; S141-D144 WeakPolarHBondContact CB-OD2 3.15Å; S141-D144 PolarHBondContact O-N 3.15Å
145Y84.4Confident91.9Very high70 Ų7064.4 Ų64.428%0.27536%0.358SS..Hα-helixtrans-109.4-17.1-175.477.2-100.6000114.9I129 L140 S141 P142I129-Y145 HydrophobicContact CD1-CD2 4.18Å; I129-Y145 HydrophobicContact CG1-CD2 3.67Å; I129-Y145 HydrophobicContact CG1-CE2 4.22Å; L140-Y145 HydrophobicContact CB-CD1 3.68Å; L140-Y145 HydrophobicContact CB-CG 4.37Å; L140-Y145 WeakPolarHBondContact O-CE1 3.49Å; S141-Y145 WeakPolarHBondContact O-CD1 3.5Å; S141-Y145 PolarHBondContact O-N 3.26Å; P142-Y145 HydrophobicContact CB-CE1 4.2Å; P142-Y145 HydrophobicContact CG-CE1 4.22Å
146V81.9Confident91.7Very high57 Ų5764.3 Ų64.335%0.34536%0.356SS..SBendtrans-100.2132.8167.4-173.80000106.7P142 Y148P142-V146 WeakPolarHBondContact O-CB 3.48Å; P142-V146 PolarHBondContact O-N 2.03Å; V146-Y148 PolarHBondContact O-N 2.04Å
147S84.2Confident91.4Very high126 Ų12666.5 Ų66.588%0.88137%0.374SS*.  trans-69.678.7170.563.40000109.4
148Y89.7Confident90.9Very high53 Ų5372 Ų7221%0.20839%0.389CS..  trans-99.891.5-177.9-158.3-100.8000109.5V146 C150 P162 C164 L173 H174V146-Y148 PolarHBondContact O-N 2.04Å; Y148-C150 PolarHBondContact O-N 3.48Å; Y148-P162 HydrophobicContact CD1-CB 3.86Å; Y148-P162 HydrophobicContact CD1-CG 4.25Å; Y148-P162 HydrophobicContact CD2-CB 4.25Å; Y148-P162 HydrophobicContact CD2-CG 3.72Å; Y148-P162 HydrophobicContact CE1-CB 4.29Å; Y148-P162 HydrophobicContact CE2-CG 4.08Å; Y148-P162 HydrophobicContact CG-CB 3.82Å; Y148-P162 HydrophobicContact CG-CG 3.8Å; Y148-C164 WeakPolarHBondContact CE1-SG 3.33Å; Y148-L173 WeakPolarHBondContact OH-CD2 3.03Å; Y148-H174 AromaticContact CE2-CE1 3.78Å; Y148-H174 AromaticContact CZ-CE1 3.86Å
149D93.1Very high90.4Very high119 Ų11970.4 Ų70.464%0.63640%0.397SS*.  trans-73.5125.8-179.3-174.211000110.6G151 H174D149-G151 PolarHBondContact OD1-N 3.28Å; D149-H174 PolarHBondContact O-ND1 2.9Å
150C94.5Very high90.1Very high7 Ų772.3 Ų72.35%0.04740%0.403CS..  trans-108.313.1177.2-69.80000112.9Y148 K152 G153 C155 C164 H174 C175Y148-C150 PolarHBondContact O-N 3.48Å; C150-K152 CarbonylContact O-C 3.56Å; C150-K152 PolarHBondContact O-N 2.86Å; C150-G153 WeakPolarHBondContact O-CA 3.38Å; C150-G153 PolarHBondContact O-N 3.18Å; C150-C155 VanDerWaalsContact SG-CA 3.58Å; C150-C164 WeakPolarHBondContact CA-SG 3.41Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.05Å; C150-C164 WeakPolarHBondContact SG-CA 3.17Å; C150-C164 WeakPolarHBondContact SG-CB 3.44Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.39Å; C150-H174 CarbonylContact C-O 3.5Å; C150-H174 VanDerWaalsContact O-O 3.08Å; C150-C175 WeakPolarHBondContact O-CB 3.03Å
151G93.6Very high89.9Confident44 Ų4475.7 Ų75.745%0.45442%0.42SS..SBendtrans50.9-100172.300000113.2D149 H174D149-G151 PolarHBondContact OD1-N 3.28Å; G151-H174 PolarHBondContact N-O 3.29Å
152K93.2Very high90Very high108 Ų10874.8 Ų74.847%0.4741%0.413SS..SBendtrans-101.860.4174.6-65-75.8179.7-75.40110.9C150 L167 Y170C150-K152 CarbonylContact O-C 3.56Å; C150-K152 PolarHBondContact O-N 2.86Å; K152-L167 HydrophobicContact CB-CD1 4.19Å; K152-L167 HydrophobicContact CD-CD1 4.49Å; K152-L167 VanDerWaalsContact O-CB 3.27Å; K152-L167 WeakPolarHBondContact O-CB 3.21Å; K152-L167 VanDerWaalsContact O-CG 3.32Å; K152-L167 WeakPolarHBondContact O-CG 3.35Å; K152-L167 PolarHBondContact O-N 3.25Å; K152-Y170 HydrophobicContact CB-CD1 3.72Å; K152-Y170 HydrophobicContact CB-CD2 3.68Å; K152-Y170 HydrophobicContact CB-CE1 3.87Å; K152-Y170 HydrophobicContact CB-CE2 3.81Å; K152-Y170 HydrophobicContact CB-CG 3.63Å; K152-Y170 HydrophobicContact CD-CE2 4.3Å; K152-Y170 HydrophobicContact CG-CD1 4Å; K152-Y170 HydrophobicContact CG-CD2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 3.63Å; K152-Y170 HydrophobicContact CG-CE2 3.99Å; K152-Y170 HydrophobicContact CG-CG 4.34Å
153G94.9Very high90.2Very high16 Ų1678.3 Ų78.317%0.16543%0.428CS..EExtended strand (participates in β ladder)trans-171.3-174.4-176.700000112.5C150 L165C150-G153 WeakPolarHBondContact O-CA 3.38Å; C150-G153 PolarHBondContact O-N 3.18Å; G153-L165 CarbonylContact C-O 3.52Å; G153-L165 WeakPolarHBondContact CA-O 3.44Å
154W94.8Very high90.3Very high169 Ų16978 Ų7864%0.6443%0.426SS*.EExtended strand (participates in β ladder)trans-125.8140.4175.8-55.1-77.5000110.9L165 L167W154-L165 PolarHBondContact N-O 2.03Å; W154-L165 PolarHBondContact O-N 3.14Å; W154-L167 HydrophobicContact CE3-CD2 4.34Å; W154-L167 HydrophobicContact CH2-CD2 3.15Å; W154-L167 HydrophobicContact CH2-CG 4.37Å; W154-L167 HydrophobicContact CZ2-CD2 3.71Å; W154-L167 HydrophobicContact CZ3-CD2 3.51Å; W154-L167 HydrophobicContact CZ3-CG 4.46Å
155C95Very high90.7Very high36 Ų3676.5 Ų76.524%0.24342%0.418CS..EExtended strand (participates in β ladder)trans-76138.4175.8-1740000110.6C143 C150C143-C155 WeakPolarHBondContact CA-SG 3.08Å; C143-C155 HydrophobicContact CB-CB 3.66Å; C143-C155 WeakPolarHBondContact CB-SG 2.99Å; C143-C155 WeakPolarHBondContact SG-CB 3.45Å; C143-C155 CovalentContact SG-SG 2.04Å; C143-C155 PolarHBondContact SG-SG 3.23Å; C150-C155 VanDerWaalsContact SG-CA 3.58Å
156V93.5Very high91.1Very high44 Ų4475.3 Ų75.327%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-135.4149.5172.5-73.30000109.8C143 F163 L165C143-V156 VanDerWaalsContact SG-CA 3.56Å; C143-V156 PolarHBondContact SG-N 3.21Å; V156-F163 HydrophobicContact CB-CE1 4.08Å; V156-F163 HydrophobicContact CB-CE2 4.47Å; V156-F163 HydrophobicContact CB-CZ 4.03Å; V156-F163 HydrophobicContact CG2-CD1 3.86Å; V156-F163 HydrophobicContact CG2-CD2 3.57Å; V156-F163 HydrophobicContact CG2-CE1 3.46Å; V156-F163 VanDerWaalsContact CG2-CE1 3.46Å; V156-F163 HydrophobicContact CG2-CE2 3.2Å; V156-F163 HydrophobicContact CG2-CG 3.9Å; V156-F163 HydrophobicContact CG2-CZ 3.15Å; V156-F163 VanDerWaalsContact CG2-O 3.29Å; V156-F163 WeakPolarHBondContact CG2-O 3.23Å; V156-F163 PolarHBondContact N-O 2.95Å; V156-F163 WeakPolarHBondContact O-CD1 3.43Å; V156-F163 WeakPolarHBondContact O-CE1 3.44Å; V156-F163 PolarHBondContact O-N 2.87Å; V156-L165 HydrophobicContact CG1-CD1 3.89Å; V156-L165 HydrophobicContact CG1-CG 4.37Å; V156-L165 HydrophobicContact CG2-CD1 4.03Å; V156-L165 HydrophobicContact CG2-CD2 4.43Å; V156-L165 HydrophobicContact CG2-CG 3.71Å
157A90.9Very high91.5Very high47 Ų4775.1 Ų75.139%0.38842%0.416SS..EExtended strand (participates in β ladder)trans-97.5132.3-179.100000111.4P142P142-A157 HydrophobicContact CG-CB 4.22Å
158K85.7Confident91.6Very high166 Ų16674 Ų7472%0.72241%0.406SS*.EExtended strand (participates in β ladder)trans-112.189.8165-169.7174.8-177.8179.80108.6K160 I161 F163K158-K160 PolarHBondContact O-N 2.78Å; K158-I161 PolarHBondContact N-O 2.69Å; K158-I161 PolarHBondContact O-N 2.92Å; K158-F163 HydrophobicContact CB-CD1 3.81Å; K158-F163 HydrophobicContact CB-CE1 3.54Å
159G85.9Confident91.4Very high66 Ų6672.1 Ų72.168%0.6840%0.402SS*.THydrogen-bonded Turntrans62.7-122.4-168.300000110.1P142P142-G159 WeakPolarHBondContact CG-O 3.13Å
160K85.1Confident91.2Very high145 Ų14570.5 Ų70.563%0.6339%0.387SS*.THydrogen-bonded Turntrans-88.92.7-179.4-61.1-166176.3-155.10115E139 P142 K158E139-K160 WeakPolarHBondContact OE1-CE 3.05Å; E139-K160 IonicContact OE1-NZ 2.7Å; E139-K160 PolarHBondContact OE1-NZ 3.46Å; P142-K160 WeakPolarHBondContact CG-O 3.24Å; K158-K160 PolarHBondContact O-N 2.78Å
161I87.6Confident91Very high121 Ų12173.3 Ų73.362%0.62140%0.404SS*.EExtended strand (participates in β ladder)trans-110.4122.7-174.8-56.5173000109.2K158K158-I161 PolarHBondContact N-O 2.69Å; K158-I161 PolarHBondContact O-N 2.92Å
162P92.4Very high90.9Very high20 Ų2072.6 Ų72.613%0.1340%0.397CS..EExtended strand (participates in β ladder)trans-77.7144170.531.6-29.3000110.4P142 Y148P142-P162 HydrophobicContact CB-CB 3.93Å; P142-P162 HydrophobicContact CB-CG 4.05Å; Y148-P162 HydrophobicContact CD1-CB 3.86Å; Y148-P162 HydrophobicContact CD1-CG 4.25Å; Y148-P162 HydrophobicContact CD2-CB 4.25Å; Y148-P162 HydrophobicContact CD2-CG 3.72Å; Y148-P162 HydrophobicContact CE1-CB 4.29Å; Y148-P162 HydrophobicContact CE2-CG 4.08Å; Y148-P162 HydrophobicContact CG-CB 3.82Å; Y148-P162 HydrophobicContact CG-CG 3.8Å
163F93.6Very high90.8Very high81 Ų8172.8 Ų72.836%0.35540%0.403SS..EExtended strand (participates in β ladder)trans-144.7155.7172.369-79.5000110.5V156 K158 L165V156-F163 HydrophobicContact CB-CE1 4.08Å; V156-F163 HydrophobicContact CB-CE2 4.47Å; V156-F163 HydrophobicContact CB-CZ 4.03Å; V156-F163 HydrophobicContact CG2-CD1 3.86Å; V156-F163 HydrophobicContact CG2-CD2 3.57Å; V156-F163 HydrophobicContact CG2-CE1 3.46Å; V156-F163 VanDerWaalsContact CG2-CE1 3.46Å; V156-F163 HydrophobicContact CG2-CE2 3.2Å; V156-F163 HydrophobicContact CG2-CG 3.9Å; V156-F163 HydrophobicContact CG2-CZ 3.15Å; V156-F163 VanDerWaalsContact CG2-O 3.29Å; V156-F163 WeakPolarHBondContact CG2-O 3.23Å; V156-F163 PolarHBondContact N-O 2.95Å; V156-F163 WeakPolarHBondContact O-CD1 3.43Å; V156-F163 WeakPolarHBondContact O-CE1 3.44Å; V156-F163 PolarHBondContact O-N 2.87Å; K158-F163 HydrophobicContact CB-CD1 3.81Å; K158-F163 HydrophobicContact CB-CE1 3.54Å; F163-L165 HydrophobicContact CE2-CD2 3.98Å; F163-L165 HydrophobicContact CE2-CG 4.43Å
164C95.3Very high90.8Very high20 Ų2075.5 Ų75.514%0.13541%0.411CS..EExtended strand (participates in β ladder)trans-96.3136.5-178.2-60.80000112.1Y148 C150 L173 C175Y148-C164 WeakPolarHBondContact CE1-SG 3.33Å; C150-C164 WeakPolarHBondContact CA-SG 3.41Å; C150-C164 HydrophobicContact CB-CB 3.69Å; C150-C164 WeakPolarHBondContact CB-SG 3.05Å; C150-C164 WeakPolarHBondContact SG-CA 3.17Å; C150-C164 WeakPolarHBondContact SG-CB 3.44Å; C150-C164 CovalentContact SG-SG 2.03Å; C150-C164 PolarHBondContact SG-SG 3.39Å; C164-L173 PolarHBondContact SG-O 3.35Å; C164-L173 VanDerWaalsContact SG-O 3.41Å; C164-C175 VanDerWaalsContact CB-SG 3.54Å
165L94.7Very high90.8Very high91 Ų9167.5 Ų67.548%0.47638%0.381SS..EExtended strand (participates in β ladder)trans-96.1114.8160.4-66.1177.5000108.5G153 W154 V156 F163G153-L165 CarbonylContact C-O 3.52Å; G153-L165 WeakPolarHBondContact CA-O 3.44Å; W154-L165 PolarHBondContact N-O 2.03Å; W154-L165 PolarHBondContact O-N 3.14Å; V156-L165 HydrophobicContact CG1-CD1 3.89Å; V156-L165 HydrophobicContact CG1-CG 4.37Å; V156-L165 HydrophobicContact CG2-CD1 4.03Å; V156-L165 HydrophobicContact CG2-CD2 4.43Å; V156-L165 HydrophobicContact CG2-CG 3.71Å; F163-L165 HydrophobicContact CE2-CD2 3.98Å; F163-L165 HydrophobicContact CE2-CG 4.43Å
166C93.7Very high90.7Very high45 Ų4570.9 Ų70.930%0.30439%0.393SS..EExtended strand (participates in β ladder)trans-77.5142.4-177.9-55.30000112.2Y170 C175C166-Y170 VanDerWaalsContact CB-O 3.29Å; C166-Y170 WeakPolarHBondContact CB-O 3.27Å; C166-C175 WeakPolarHBondContact CA-SG 3.27Å; C166-C175 HydrophobicContact CB-CB 3.68Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 PolarHBondContact N-SG 3.03Å; C166-C175 VanDerWaalsContact N-SG 3.41Å; C166-C175 WeakPolarHBondContact SG-CA 3.19Å; C166-C175 WeakPolarHBondContact SG-CB 3.45Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.19Å
167L90.8Very high90.5Very high54 Ų5473.9 Ų73.928%0.28340%0.404SS..PPolyproline II helixtrans-58.7152167.1-72.4171.9000109.8K152 W154 G169 Y170K152-L167 HydrophobicContact CB-CD1 4.19Å; K152-L167 HydrophobicContact CD-CD1 4.49Å; K152-L167 VanDerWaalsContact O-CB 3.27Å; K152-L167 WeakPolarHBondContact O-CB 3.21Å; K152-L167 VanDerWaalsContact O-CG 3.32Å; K152-L167 WeakPolarHBondContact O-CG 3.35Å; K152-L167 PolarHBondContact O-N 3.25Å; W154-L167 HydrophobicContact CE3-CD2 4.34Å; W154-L167 HydrophobicContact CH2-CD2 3.15Å; W154-L167 HydrophobicContact CH2-CG 4.37Å; W154-L167 HydrophobicContact CZ2-CD2 3.71Å; W154-L167 HydrophobicContact CZ3-CD2 3.51Å; W154-L167 HydrophobicContact CZ3-CG 4.46Å; L167-G169 PolarHBondContact O-N 3.44Å; L167-Y170 HydrophobicContact CB-CD2 4.05Å; L167-Y170 PolarHBondContact O-N 2.99Å
168P85.7Confident90.3Very high103 Ų10375.1 Ų75.167%0.66941%0.414SS*.THydrogen-bonded Turntrans-50.5130173.9-26.734.7000111.4N200P168-N200 VanDerWaalsContact C-ND2 3.26Å; P168-N200 PolarHBondContact O-ND2 3.27Å
169G84.9Confident90.2Very high12 Ų1270.6 Ų70.612%0.12440%0.397CS..THydrogen-bonded Turntrans90.10.9-178.300000115.1L167 A178 I179 N200L167-G169 PolarHBondContact O-N 3.44Å; G169-A178 CarbonylContact O-C 3.55Å; G169-A178 WeakPolarHBondContact O-CA 3.32Å; G169-I179 PolarHBondContact O-N 2.77Å; G169-N200 WeakPolarHBondContact CA-OD1 3.33Å
170Y89.7Confident90.1Very high85 Ų8571.3 Ų71.333%0.33339%0.386SS..EExtended strand (participates in β ladder)trans-119.1152.3173.6-65.9-89.6000111.9K152 C166 L167 Q177 A178K152-Y170 HydrophobicContact CB-CD1 3.72Å; K152-Y170 HydrophobicContact CB-CD2 3.68Å; K152-Y170 HydrophobicContact CB-CE1 3.87Å; K152-Y170 HydrophobicContact CB-CE2 3.81Å; K152-Y170 HydrophobicContact CB-CG 3.63Å; K152-Y170 HydrophobicContact CD-CE2 4.3Å; K152-Y170 HydrophobicContact CG-CD1 4Å; K152-Y170 HydrophobicContact CG-CD2 4.35Å; K152-Y170 HydrophobicContact CG-CE1 3.63Å; K152-Y170 HydrophobicContact CG-CE2 3.99Å; K152-Y170 HydrophobicContact CG-CG 4.34Å; C166-Y170 VanDerWaalsContact CB-O 3.29Å; C166-Y170 WeakPolarHBondContact CB-O 3.27Å; L167-Y170 HydrophobicContact CB-CD2 4.05Å; L167-Y170 PolarHBondContact O-N 2.99Å; Y170-Q177 CarbonylContact C-O 3.3Å; Y170-Q177 VanDerWaalsContact CA-O 3.24Å; Y170-Q177 WeakPolarHBondContact CA-O 3.41Å; Y170-A178 HydrophobicContact CD1-CB 4.49Å; Y170-A178 HydrophobicContact CE1-CB 4.33Å
171T89.8Confident89.9Confident66 Ų6666.6 Ų66.641%0.40537%0.365SS..EExtended strand (participates in β ladder)trans-146.4177.2179.6-168.20000110C175 E176 Q177 I179T171-C175 CarbonylContact O-C 3.13Å; T171-C175 WeakPolarHBondContact O-CA 3.38Å; T171-E176 PolarHBondContact O-N 2.89Å; T171-Q177 HydrophobicContact CG2-CB 3.85Å; T171-Q177 PolarHBondContact N-O 3.4Å; T171-Q177 WeakPolarHBondContact O-CB 3.06Å; T171-Q177 PolarHBondContact O-N 3.41Å; T171-I179 HydrophobicContact CG2-CG1 3.9Å
172G91Very high89.9Confident29 Ų2961.8 Ų61.830%0.29934%0.342SS..SBendtrans101.9170.5-17400000112.6H174 C175G172-H174 VanDerWaalsContact C-N 3.3Å; G172-C175 PolarHBondContact O-N 3.36Å
173L92.3Very high89.6Confident112 Ų11268.4 Ų68.459%0.58637%0.371SS*.THydrogen-bonded Turntrans-72.6-27.9-177.2-172.3133.9000111.8Y148 C164Y148-L173 WeakPolarHBondContact OH-CD2 3.03Å; C164-L173 PolarHBondContact SG-O 3.35Å; C164-L173 VanDerWaalsContact SG-O 3.41Å
174H94.3Very high89.2Confident74 Ų7475.6 Ų75.634%0.34340%0.396SS..THydrogen-bonded Turntrans-114.816.3176.9-64.5-77.4000112.2Y148 D149 C150 G151 G172 E176Y148-H174 AromaticContact CE2-CE1 3.78Å; Y148-H174 AromaticContact CZ-CE1 3.86Å; D149-H174 PolarHBondContact O-ND1 2.9Å; C150-H174 CarbonylContact C-O 3.5Å; C150-H174 VanDerWaalsContact O-O 3.08Å; G151-H174 PolarHBondContact N-O 3.29Å; G172-H174 VanDerWaalsContact C-N 3.3Å; H174-E176 VanDerWaalsContact CA-OE2 3.27Å; H174-E176 WeakPolarHBondContact CA-OE2 3.07Å; H174-E176 WeakPolarHBondContact CB-OE2 3.31Å; H174-E176 PolarHBondContact N-OE2 3.07Å; H174-E176 PolarHBondContact O-N 2.91Å
175C94.8Very high88.8Confident1 Ų179.9 Ų79.91%0.00742%0.417CS..SBendtrans52.235.8-176.6-50.10000113.4C150 C164 C166 T171 G172C150-C175 WeakPolarHBondContact O-CB 3.03Å; C164-C175 VanDerWaalsContact CB-SG 3.54Å; C166-C175 WeakPolarHBondContact CA-SG 3.27Å; C166-C175 HydrophobicContact CB-CB 3.68Å; C166-C175 WeakPolarHBondContact CB-SG 3.46Å; C166-C175 PolarHBondContact N-SG 3.03Å; C166-C175 VanDerWaalsContact N-SG 3.41Å; C166-C175 WeakPolarHBondContact SG-CA 3.19Å; C166-C175 WeakPolarHBondContact SG-CB 3.45Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.19Å; T171-C175 CarbonylContact O-C 3.13Å; T171-C175 WeakPolarHBondContact O-CA 3.38Å; G172-C175 PolarHBondContact O-N 3.36Å
176E93.5Very high88.5Confident106 Ų10677.1 Ų77.150%0.49541%0.405SS..  trans-86.6-16.3-175.273.8-72.3174.500113T171 H174T171-E176 PolarHBondContact O-N 2.89Å; H174-E176 VanDerWaalsContact CA-OE2 3.27Å; H174-E176 WeakPolarHBondContact CA-OE2 3.07Å; H174-E176 WeakPolarHBondContact CB-OE2 3.31Å; H174-E176 PolarHBondContact N-OE2 3.07Å; H174-E176 PolarHBondContact O-N 2.91Å
177Q89.9Confident88.4Confident108 Ų10875.5 Ų75.551%0.50539%0.394SS..EExtended strand (participates in β ladder)trans-104127-176.1-56.5-178.88.300110.2Y170 T171Y170-Q177 CarbonylContact C-O 3.3Å; Y170-Q177 VanDerWaalsContact CA-O 3.24Å; Y170-Q177 WeakPolarHBondContact CA-O 3.41Å; T171-Q177 HydrophobicContact CG2-CB 3.85Å; T171-Q177 PolarHBondContact N-O 3.4Å; T171-Q177 WeakPolarHBondContact O-CB 3.06Å; T171-Q177 PolarHBondContact O-N 3.41Å
178A85.2Confident88.5Confident72 Ų7275.8 Ų75.860%0.59540%0.398SS*.EExtended strand (participates in β ladder)trans-70.8134.9165.300000109.1G169 Y170 N180G169-A178 CarbonylContact O-C 3.55Å; G169-A178 WeakPolarHBondContact O-CA 3.32Å; Y170-A178 HydrophobicContact CD1-CB 4.49Å; Y170-A178 HydrophobicContact CE1-CB 4.33Å; A178-N180 PolarHBondContact O-N 2.96Å; A178-N180 VanDerWaalsContact O-N 3.15Å
179I84.6Confident88.8Confident71 Ų7174.3 Ų74.336%0.36438%0.384SS..  trans-65.6115.4174.9-66.9168.4000108G169 T171 K181G169-I179 PolarHBondContact O-N 2.77Å; T171-I179 HydrophobicContact CG2-CG1 3.9Å; I179-K181 HydrophobicContact CG2-CG 4.18Å; I179-K181 PolarHBondContact O-N 2.83Å
180N82.5Confident89Confident82 Ų8281.8 Ų81.844%0.43942%0.422SS..  trans-73.1100.2169.1-177.4-0.5000109A178 C182 E183 V195A178-N180 PolarHBondContact O-N 2.96Å; A178-N180 VanDerWaalsContact O-N 3.15Å; N180-C182 PolarHBondContact O-N 2.89Å; N180-C182 WeakPolarHBondContact OD1-CA 3.31Å; N180-C182 WeakPolarHBondContact OD1-CB 3.07Å; N180-C182 PolarHBondContact OD1-N 3.47Å; N180-E183 HydrophobicContact CB-CB 4.24Å; N180-E183 VanDerWaalsContact O-CB 3.23Å; N180-E183 WeakPolarHBondContact O-CB 2.94Å; N180-E183 PolarHBondContact O-N 3.4Å; N180-V195 WeakPolarHBondContact OD1-CG2 3.24Å
181K81.8Confident89.1Confident45 Ų4578.2 Ų78.220%0.19641%0.41CS..THydrogen-bonded Turntrans-69.8-12.4-179.5-56.3-168.5-164.585.60113.4I179 N200 F202I179-K181 HydrophobicContact CG2-CG 4.18Å; I179-K181 PolarHBondContact O-N 2.83Å; K181-N200 WeakPolarHBondContact CE-O 3.32Å; K181-N200 VanDerWaalsContact CE-OD1 3.29Å; K181-N200 WeakPolarHBondContact CE-OD1 3.5Å; K181-N200 PolarHBondContact NZ-O 2.97Å; K181-N200 PolarHBondContact NZ-OD1 3.42Å; K181-F202 HydrophobicContact CB-CB 3.85Å
182C87.8Confident89.2Confident21 Ų2180.2 Ų80.214%0.14242%0.418CS..THydrogen-bonded Turntrans-89.1-2.2172.1-63.30000113.5N180 R184 D185 C193 V194N180-C182 PolarHBondContact O-N 2.89Å; N180-C182 WeakPolarHBondContact OD1-CA 3.31Å; N180-C182 WeakPolarHBondContact OD1-CB 3.07Å; N180-C182 PolarHBondContact OD1-N 3.47Å; C182-R184 VanDerWaalsContact C-N 3.25Å; C182-R184 PolarHBondContact O-N 3.25Å; C182-D185 PolarHBondContact O-N 2.04Å; C182-C193 WeakPolarHBondContact CA-SG 3.3Å; C182-C193 HydrophobicContact CB-CB 3.66Å; C182-C193 WeakPolarHBondContact CB-SG 3.37Å; C182-C193 WeakPolarHBondContact SG-CB 3.43Å; C182-C193 CovalentContact SG-SG 2.04Å; C182-C193 PolarHBondContact SG-SG 3.27Å; C182-V194 VanDerWaalsContact SG-C 3.56Å
183E85.8Confident89.2Confident159 Ų15979.9 Ų79.974%0.74341%0.411SS*.THydrogen-bonded Turntrans-61.9-33.1-178.7-174.9177-161.400112.9N180 D185N180-E183 HydrophobicContact CB-CB 4.24Å; N180-E183 VanDerWaalsContact O-CB 3.23Å; N180-E183 WeakPolarHBondContact O-CB 2.94Å; N180-E183 PolarHBondContact O-N 3.4Å; E183-D185 VanDerWaalsContact C-N 3.3Å
184R84.4Confident89.1Confident232 Ų23277 Ų7788%0.87540%0.398SS*.THydrogen-bonded Turntrans-88.55.9175.7-70.6-164.9-68.1-100.30.5114.1C182C182-R184 VanDerWaalsContact C-N 3.25Å; C182-R184 PolarHBondContact O-N 3.25Å
185D86.9Confident88.6Confident109 Ų10976.5 Ų76.558%0.58340%0.4SS*.  trans44.867.3-176.9-158.614.3000113.1C182 E183 C187C182-D185 PolarHBondContact O-N 2.04Å; E183-D185 VanDerWaalsContact C-N 3.3Å; D185-C187 PolarHBondContact O-N 3.48Å
186P90Very high88Confident34 Ų3478.4 Ų78.422%0.22141%0.41CS..  trans-70.2-11-173.530.4-36.2000113.8F202 D214P186-F202 HydrophobicContact CB-CD1 4.27Å; P186-F202 HydrophobicContact CB-CD2 3.97Å; P186-F202 HydrophobicContact CB-CE1 4.09Å; P186-F202 HydrophobicContact CB-CE2 3.77Å; P186-F202 HydrophobicContact CB-CG 4.22Å; P186-F202 HydrophobicContact CB-CZ 3.84Å; P186-F202 HydrophobicContact CG-CB 4.04Å; P186-F202 HydrophobicContact CG-CD1 3.97Å; P186-F202 HydrophobicContact CG-CD2 3.45Å; P186-F202 VanDerWaalsContact CG-CD2 3.45Å; P186-F202 HydrophobicContact CG-CE1 4.29Å; P186-F202 HydrophobicContact CG-CE2 3.8Å; P186-F202 HydrophobicContact CG-CG 3.54Å; P186-F202 HydrophobicContact CG-CZ 4.21Å; P186-D214 WeakPolarHBondContact O-CB 3.48Å
187C91.9Very high87.2Confident10 Ų1081.3 Ų81.37%0.06842%0.424CS..  trans-87.2130.1-177.1-51.20000110.3D185 G191 C193 C204D185-C187 PolarHBondContact O-N 3.48Å; C187-G191 VanDerWaalsContact CB-O 3.31Å; C187-G191 WeakPolarHBondContact CB-O 3.5Å; C187-C193 WeakPolarHBondContact SG-CA 3.35Å; C187-C193 WeakPolarHBondContact SG-CB 2.99Å; C187-C204 WeakPolarHBondContact CA-SG 3.46Å; C187-C204 HydrophobicContact CB-CB 3.86Å; C187-C204 WeakPolarHBondContact CB-SG 3.4Å; C187-C204 VanDerWaalsContact SG-CA 3.5Å; C187-C204 WeakPolarHBondContact SG-CB 3.38Å; C187-C204 CovalentContact SG-SG 2.02Å; C187-C204 PolarHBondContact SG-SG 3.47Å
188V92.4Very high86.4Confident61 Ų6187.9 Ų87.937%0.3744%0.444SS..  trans-99.6173.7174.9-60.60000111.1D190 G191 D214V188-D190 VanDerWaalsContact C-N 3.32Å; V188-D190 PolarHBondContact O-N 3.45Å; V188-G191 PolarHBondContact O-N 3.3Å; V188-G191 VanDerWaalsContact O-N 3.09Å; V188-D214 WeakPolarHBondContact CG2-O 3.44Å; V188-D214 PolarHBondContact N-O 3.42Å
189N90.8Very high85.8Confident71 Ų7190.6 Ų90.638%0.3845%0.446SS..THydrogen-bonded Turntrans5443.9176.2-55.8-53.9000113.7G191 Y210 C215N189-G191 PolarHBondContact O-N 3.08Å; N189-Y210 HydrophobicContact CB-CD1 3.73Å; N189-Y210 HydrophobicContact CB-CD2 4.23Å; N189-Y210 HydrophobicContact CB-CE1 3.52Å; N189-Y210 HydrophobicContact CB-CE2 4.05Å; N189-Y210 HydrophobicContact CB-CG 4.07Å; N189-Y210 VanDerWaalsContact ND2-CD1 3.3Å; N189-Y210 WeakPolarHBondContact ND2-CD1 3.15Å; N189-Y210 WeakPolarHBondContact ND2-CE1 3.48Å; N189-C215 PolarHBondContact ND2-O 3.34Å
190D89.7Confident85.2Confident170 Ų17090.2 Ų90.291%0.90944%0.444SS*.THydrogen-bonded Turntrans59.225.5-178.6-54.5-45.6000114.4V188V188-D190 VanDerWaalsContact C-N 3.32Å; V188-D190 PolarHBondContact O-N 3.45Å
191G91Very high85.1Confident9 Ų991.3 Ų91.39%0.09345%0.447CS..  trans-64.3136.6172.800000112C187 V188 N189 C193 I205C187-G191 VanDerWaalsContact CB-O 3.31Å; C187-G191 WeakPolarHBondContact CB-O 3.5Å; V188-G191 PolarHBondContact O-N 3.3Å; V188-G191 VanDerWaalsContact O-N 3.09Å; N189-G191 PolarHBondContact O-N 3.08Å; G191-C193 PolarHBondContact O-N 2.76Å; G191-I205 WeakPolarHBondContact CA-O 3.23Å
192L92.6Very high85.2Confident108 Ų10892.5 Ų92.557%0.56545%0.452SS*.EExtended strand (participates in β ladder)trans-83.1115.1177.2173.364.5000109.9V194 I205L192-V194 HydrophobicContact CG-CG1 4.36Å; L192-I205 HydrophobicContact CB-CB 4.28Å; L192-I205 HydrophobicContact CD2-CD1 4.25Å; L192-I205 PolarHBondContact N-O 2.92Å; L192-I205 PolarHBondContact O-N 2.85Å
193C91.8Very high85.2Confident22 Ų2296 Ų9615%0.14947%0.467CS..EExtended strand (participates in β ladder)trans-78.4126.1174.2-166.70000111.6C182 C187 G191C182-C193 WeakPolarHBondContact CA-SG 3.3Å; C182-C193 HydrophobicContact CB-CB 3.66Å; C182-C193 WeakPolarHBondContact CB-SG 3.37Å; C182-C193 WeakPolarHBondContact SG-CB 3.43Å; C182-C193 CovalentContact SG-SG 2.04Å; C182-C193 PolarHBondContact SG-SG 3.27Å; C187-C193 WeakPolarHBondContact SG-CA 3.35Å; C187-C193 WeakPolarHBondContact SG-CB 2.99Å; G191-C193 PolarHBondContact O-N 2.76Å
194V90Very high85.5Confident51 Ų5189.2 Ų89.231%0.30944%0.437SS..EExtended strand (participates in β ladder)trans-120.6146.5168.2-62.90000110.5C182 L192 N196 E203 I205C182-V194 VanDerWaalsContact SG-C 3.56Å; L192-V194 HydrophobicContact CG-CG1 4.36Å; V194-N196 PolarHBondContact O-N 2.66Å; V194-E203 HydrophobicContact CG2-CB 3.95Å; V194-E203 HydrophobicContact CG2-CG 4.21Å; V194-E203 WeakPolarHBondContact CG2-O 3.13Å; V194-E203 PolarHBondContact N-O 2.04Å; V194-E203 PolarHBondContact O-N 3.04Å; V194-I205 HydrophobicContact CG1-CD1 4.17Å; V194-I205 HydrophobicContact CG2-CD1 4.42Å; V194-I205 HydrophobicContact CG2-CG1 4.43Å
195V84.4Confident85.8Confident64 Ų6482.5 Ų82.539%0.38842%0.417SS..EExtended strand (participates in β ladder)trans-81.8118.5175.7-1800000108.6N180 E197N180-V195 WeakPolarHBondContact OD1-CG2 3.24Å; V195-E197 PolarHBondContact O-N 3.39Å
196N80.4Confident85.9Confident41 Ų4179.2 Ų79.222%0.21940%0.402CS..EExtended strand (participates in β ladder)trans-90.2100.3171.8-171.2-43000109.3V194 W198 M199 N200 Q201 E203V194-N196 PolarHBondContact O-N 2.66Å; N196-W198 VanDerWaalsContact C-N 3.32Å; N196-W198 PolarHBondContact O-N 3.48Å; N196-W198 PolarHBondContact OD1-N 2.03Å; N196-W198 VanDerWaalsContact OD1-N 3.16Å; N196-M199 PolarHBondContact OD1-N 3.28Å; N196-N200 PolarHBondContact O-N 3.29Å; N196-Q201 PolarHBondContact N-O 2.82Å; N196-Q201 PolarHBondContact O-N 2.85Å; N196-E203 HydrophobicContact CB-CB 4.17Å; N196-E203 PolarHBondContact ND2-OE2 3.47Å
197E76.6Confident85.7Confident168 Ų16878.9 Ų78.979%0.78541%0.405SS*.THydrogen-bonded Turntrans-66.2-33.5-179.1-63.9-165.315900112.6V195 N200V195-E197 PolarHBondContact O-N 3.39Å; E197-N200 PolarHBondContact O-N 3.32Å
198W73.5Confident85.3Confident246 Ų24683.8 Ų83.893%0.93244%0.437SS*.THydrogen-bonded Turntrans-67.1-45.3-175.9-120.1-89.1000112.9N196 N200N196-W198 VanDerWaalsContact C-N 3.32Å; N196-W198 PolarHBondContact O-N 3.48Å; N196-W198 PolarHBondContact OD1-N 2.03Å; N196-W198 VanDerWaalsContact OD1-N 3.16Å; W198-N200 VanDerWaalsContact C-N 3.34Å
199M74.2Confident84.7Confident129 Ų12983.4 Ų83.464%0.63543%0.432SS*.THydrogen-bonded Turntrans-90.6-3.8-178.8-67.7-66.1-74.200112.5N196 Q201N196-M199 PolarHBondContact OD1-N 3.28Å; M199-Q201 VanDerWaalsContact C-N 3.26Å; M199-Q201 HydrophobicContact CB-CB 4.44Å; M199-Q201 PolarHBondContact O-N 2.91Å
200N71.5Confident84.5Confident62 Ų6283.5 Ų83.533%0.33243%0.428SS..THydrogen-bonded Turntrans49.749.7-170.5-162.518.3000110.9P168 G169 K181 N196 E197 W198P168-N200 VanDerWaalsContact C-ND2 3.26Å; P168-N200 PolarHBondContact O-ND2 3.27Å; G169-N200 WeakPolarHBondContact CA-OD1 3.33Å; K181-N200 WeakPolarHBondContact CE-O 3.32Å; K181-N200 VanDerWaalsContact CE-OD1 3.29Å; K181-N200 WeakPolarHBondContact CE-OD1 3.5Å; K181-N200 PolarHBondContact NZ-O 2.97Å; K181-N200 PolarHBondContact NZ-OD1 3.42Å; N196-N200 PolarHBondContact O-N 3.29Å; E197-N200 PolarHBondContact O-N 3.32Å; W198-N200 VanDerWaalsContact C-N 3.34Å
201Q79.9Confident84.3Confident105 Ų10577 Ų7749%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-139.1169.2178.8-77.1-177-2.500111.8N196 M199N196-Q201 PolarHBondContact N-O 2.82Å; N196-Q201 PolarHBondContact O-N 2.85Å; M199-Q201 VanDerWaalsContact C-N 3.26Å; M199-Q201 HydrophobicContact CB-CB 4.44Å; M199-Q201 PolarHBondContact O-N 2.91Å
202F83.5Confident84Confident70 Ų7078.2 Ų78.231%0.30741%0.408SS..EExtended strand (participates in β ladder)trans-83.2152.5164.367.4-90000108K181 P186 L213K181-F202 HydrophobicContact CB-CB 3.85Å; P186-F202 HydrophobicContact CB-CD1 4.27Å; P186-F202 HydrophobicContact CB-CD2 3.97Å; P186-F202 HydrophobicContact CB-CE1 4.09Å; P186-F202 HydrophobicContact CB-CE2 3.77Å; P186-F202 HydrophobicContact CB-CG 4.22Å; P186-F202 HydrophobicContact CB-CZ 3.84Å; P186-F202 HydrophobicContact CG-CB 4.04Å; P186-F202 HydrophobicContact CG-CD1 3.97Å; P186-F202 HydrophobicContact CG-CD2 3.45Å; P186-F202 VanDerWaalsContact CG-CD2 3.45Å; P186-F202 HydrophobicContact CG-CE1 4.29Å; P186-F202 HydrophobicContact CG-CE2 3.8Å; P186-F202 HydrophobicContact CG-CG 3.54Å; P186-F202 HydrophobicContact CG-CZ 4.21Å; F202-L213 WeakPolarHBondContact CE2-O 3.44Å
203E88.8Confident83.8Confident95 Ų9579.8 Ų79.844%0.44442%0.417SS..EExtended strand (participates in β ladder)trans-130.8126.3172.9175.2174.9176.400108V194 N196V194-E203 HydrophobicContact CG2-CB 3.95Å; V194-E203 HydrophobicContact CG2-CG 4.21Å; V194-E203 WeakPolarHBondContact CG2-O 3.13Å; V194-E203 PolarHBondContact N-O 2.04Å; V194-E203 PolarHBondContact O-N 3.04Å; N196-E203 HydrophobicContact CB-CB 4.17Å; N196-E203 PolarHBondContact ND2-OE2 3.47Å
204C91.4Very high83.7Confident17 Ų1781.2 Ų81.212%0.11542%0.423CS..EExtended strand (participates in β ladder)trans-98.1121.2178.6-65.70000109.9C187 C206 L213 C215C187-C204 WeakPolarHBondContact CA-SG 3.46Å; C187-C204 HydrophobicContact CB-CB 3.86Å; C187-C204 WeakPolarHBondContact CB-SG 3.4Å; C187-C204 VanDerWaalsContact SG-CA 3.5Å; C187-C204 WeakPolarHBondContact SG-CB 3.38Å; C187-C204 CovalentContact SG-SG 2.02Å; C187-C204 PolarHBondContact SG-SG 3.47Å; C204-C206 PolarHBondContact O-N 3.36Å; C204-L213 WeakPolarHBondContact CB-O 3.49Å; C204-L213 PolarHBondContact SG-O 3.43Å; C204-C215 VanDerWaalsContact CB-SG 3.51Å
205I91.5Very high83.8Confident91 Ų9178.8 Ų78.847%0.46741%0.408SS..EExtended strand (participates in β ladder)trans-84.3107168.7-57.2173.9000107.4G191 L192 V194G191-I205 WeakPolarHBondContact CA-O 3.23Å; L192-I205 HydrophobicContact CB-CB 4.28Å; L192-I205 HydrophobicContact CD2-CD1 4.25Å; L192-I205 PolarHBondContact N-O 2.92Å; L192-I205 PolarHBondContact O-N 2.85Å; V194-I205 HydrophobicContact CG1-CD1 4.17Å; V194-I205 HydrophobicContact CG2-CD1 4.42Å; V194-I205 HydrophobicContact CG2-CG1 4.43Å
206C88.5Confident84Confident40 Ų4078.7 Ų78.727%0.2741%0.411SS..PPolyproline II helixtrans-79.3140.9-175.9-55.30000112.5C204 Y210 C215C204-C206 PolarHBondContact O-N 3.36Å; C206-Y210 VanDerWaalsContact CB-O 3.27Å; C206-Y210 WeakPolarHBondContact CB-O 3.02Å; C206-C215 WeakPolarHBondContact CA-SG 3.15Å; C206-C215 HydrophobicContact CB-CB 3.79Å; C206-C215 WeakPolarHBondContact CB-SG 3.43Å; C206-C215 WeakPolarHBondContact SG-CA 3.2Å; C206-C215 WeakPolarHBondContact SG-CB 3.29Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.99Å
207G86.1Confident84.2Confident27 Ų2781 Ų8128%0.27842%0.422SS..PPolyproline II helixtrans-65.1171.4168.700000112.6N209 Y210G207-N209 PolarHBondContact O-N 2.85Å; G207-Y210 PolarHBondContact O-N 2.96Å; G207-Y210 VanDerWaalsContact O-N 3.1Å
208P82.1Confident84.4Confident113 Ų11377.4 Ų77.473%0.73440%0.402SS*.THydrogen-bonded Turntrans-55.5137.8178.922.6-32.2000111.4Y210P208-Y210 VanDerWaalsContact C-N 3.28Å; P208-Y210 WeakPolarHBondContact O-CD2 3.25Å; P208-Y210 PolarHBondContact O-N 3.37Å
209N80.8Confident84.8Confident52 Ų5269.6 Ų69.628%0.27838%0.378SS..THydrogen-bonded Turntrans67.312-175.7-46.1-63.1000116G207 Y218 N219 N220 I235G207-N209 PolarHBondContact O-N 2.85Å; N209-Y218 HydrophobicContact CB-CD2 4.32Å; N209-Y218 HydrophobicContact CB-CE2 3.97Å; N209-Y218 CarbonylContact O-C 3.47Å; N209-Y218 WeakPolarHBondContact O-CA 3.46Å; N209-Y218 WeakPolarHBondContact O-CD2 3.06Å; N209-N219 WeakPolarHBondContact O-CA 3.38Å; N209-N219 PolarHBondContact O-N 2.95Å; N209-N220 HydrophobicContact CB-CB 4.4Å; N209-I235 WeakPolarHBondContact OD1-CD1 3.03Å
210Y87Confident85.2Confident73 Ų7364.4 Ų64.429%0.28635%0.353SS..EExtended strand (participates in β ladder)trans-117.5149.4173.4-65.4-84.7000111.6N189 C206 G207 P208 C215 I217 Y218N189-Y210 HydrophobicContact CB-CD1 3.73Å; N189-Y210 HydrophobicContact CB-CD2 4.23Å; N189-Y210 HydrophobicContact CB-CE1 3.52Å; N189-Y210 HydrophobicContact CB-CE2 4.05Å; N189-Y210 HydrophobicContact CB-CG 4.07Å; N189-Y210 VanDerWaalsContact ND2-CD1 3.3Å; N189-Y210 WeakPolarHBondContact ND2-CD1 3.15Å; N189-Y210 WeakPolarHBondContact ND2-CE1 3.48Å; C206-Y210 VanDerWaalsContact CB-O 3.27Å; C206-Y210 WeakPolarHBondContact CB-O 3.02Å; G207-Y210 PolarHBondContact O-N 2.96Å; G207-Y210 VanDerWaalsContact O-N 3.1Å; P208-Y210 VanDerWaalsContact C-N 3.28Å; P208-Y210 WeakPolarHBondContact O-CD2 3.25Å; P208-Y210 PolarHBondContact O-N 3.37Å; Y210-C215 WeakPolarHBondContact CD1-O 3.06Å; Y210-I217 CarbonylContact C-O 3.54Å; Y210-I217 VanDerWaalsContact CA-O 3.24Å; Y210-I217 WeakPolarHBondContact CA-O 3.43Å; Y210-Y218 AromaticContact CD1-CD2 3.91Å; Y210-Y218 HydrophobicContact CD1-CD2 3.91Å; Y210-Y218 AromaticContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CD2 3.43Å; Y210-Y218 VanDerWaalsContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CE2 4.16Å; Y210-Y218 HydrophobicContact CE1-CG 4.29Å; Y210-Y218 HydrophobicContact CE2-CD2 4.19Å; Y210-Y218 HydrophobicContact CE2-CE2 4.23Å; Y210-Y218 HydrophobicContact CG-CD2 4.48Å; Y210-Y218 AromaticContact CZ-CD2 3.61Å; Y210-Y218 AromaticContact CZ-CE2 3.85Å
211S84.8Confident85.7Confident33 Ų3363.6 Ų63.623%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-154.4-177175.872.40000112.2C215 S216 I217 N219S211-C215 CarbonylContact O-C 3.44Å; S211-C215 VanDerWaalsContact O-CA 3.25Å; S211-C215 WeakPolarHBondContact O-CA 3.16Å; S211-S216 PolarHBondContact O-N 3.14Å; S211-I217 PolarHBondContact N-O 2.96Å; S211-I217 WeakPolarHBondContact O-CA 3.06Å; S211-I217 VanDerWaalsContact O-CB 3.22Å; S211-I217 WeakPolarHBondContact O-CB 3.49Å; S211-I217 PolarHBondContact O-N 3.45Å; S211-I217 WeakPolarHBondContact OG-CB 3.31Å; S211-N219 WeakPolarHBondContact CB-ND2 3.23Å; S211-N219 VanDerWaalsContact OG-CG 3.28Å; S211-N219 PolarHBondContact OG-ND2 3.39Å; S211-N219 PolarHBondContact OG-OD1 3.39Å
212G84.8Confident86Confident35 Ų3559.3 Ų59.336%0.36133%0.333SS..SBendtrans95.4172.9-173.700000112.3D214 C215G212-D214 PolarHBondContact O-N 3.29Å; G212-C215 PolarHBondContact O-N 3.07Å
213L87.2Confident86Confident141 Ų14160.8 Ų60.874%0.73834%0.343SS*.THydrogen-bonded Turntrans-62.7-31-176.7-71.8170.2000112.7F202 C204F202-L213 WeakPolarHBondContact CE2-O 3.44Å; C204-L213 WeakPolarHBondContact CB-O 3.49Å; C204-L213 PolarHBondContact SG-O 3.43Å
214D90.4Very high85.8Confident52 Ų5262 Ų6228%0.27836%0.359SS..THydrogen-bonded Turntrans-115.77.4-177.864.7-13.6000113.4P186 V188 G212 S216P186-D214 WeakPolarHBondContact O-CB 3.48Å; V188-D214 WeakPolarHBondContact CG2-O 3.44Å; V188-D214 PolarHBondContact N-O 3.42Å; G212-D214 PolarHBondContact O-N 3.29Å; D214-S216 VanDerWaalsContact C-N 3.26Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.92Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.23Å
215C91.4Very high85.7Confident0 Ų064.1 Ų64.10%037%0.374CS..SBendtrans64.520.6-173-50.70000115.5N189 C204 C206 Y210 S211 G212 I217N189-C215 PolarHBondContact ND2-O 3.34Å; C204-C215 VanDerWaalsContact CB-SG 3.51Å; C206-C215 WeakPolarHBondContact CA-SG 3.15Å; C206-C215 HydrophobicContact CB-CB 3.79Å; C206-C215 WeakPolarHBondContact CB-SG 3.43Å; C206-C215 WeakPolarHBondContact SG-CA 3.2Å; C206-C215 WeakPolarHBondContact SG-CB 3.29Å; C206-C215 CovalentContact SG-SG 2.04Å; C206-C215 PolarHBondContact SG-SG 2.99Å; Y210-C215 WeakPolarHBondContact CD1-O 3.06Å; S211-C215 CarbonylContact O-C 3.44Å; S211-C215 VanDerWaalsContact O-CA 3.25Å; S211-C215 WeakPolarHBondContact O-CA 3.16Å; G212-C215 PolarHBondContact O-N 3.07Å; C215-I217 VanDerWaalsContact C-N 3.35Å
216S89.1Confident85.6Confident63 Ų6361.1 Ų61.144%0.44136%0.36SS..  trans-73.6-21.7177.159.80000114.3S211 D214 Y218S211-S216 PolarHBondContact O-N 3.14Å; D214-S216 VanDerWaalsContact C-N 3.26Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-S216 WeakPolarHBondContact OD1-CB 3.46Å; D214-S216 PolarHBondContact OD1-N 2.92Å; D214-S216 PolarHBondContact OD1-OG 3.03Å; D214-S216 PolarHBondContact OD2-OG 3.23Å; S216-Y218 PolarHBondContact O-N 3.21Å
217I84.3Confident85.8Confident88 Ų8859.7 Ų59.745%0.45135%0.351SS..EExtended strand (participates in β ladder)trans-82.3114-176.5-51.9176000109Y210 S211 C215 N219Y210-I217 CarbonylContact C-O 3.54Å; Y210-I217 VanDerWaalsContact CA-O 3.24Å; Y210-I217 WeakPolarHBondContact CA-O 3.43Å; S211-I217 PolarHBondContact N-O 2.96Å; S211-I217 WeakPolarHBondContact O-CA 3.06Å; S211-I217 VanDerWaalsContact O-CB 3.22Å; S211-I217 WeakPolarHBondContact O-CB 3.49Å; S211-I217 PolarHBondContact O-N 3.45Å; S211-I217 WeakPolarHBondContact OG-CB 3.31Å; C215-I217 VanDerWaalsContact C-N 3.35Å; I217-N219 WeakPolarHBondContact CG2-OD1 3.38Å; I217-N219 PolarHBondContact O-N 3.04Å
218Y82.2Confident86.1Confident94 Ų9463.9 Ų63.937%0.36936%0.361SS..EExtended strand (participates in β ladder)trans-85.2102.1175.3-171.8-119.9000111.3N209 Y210 S216 N220 I223N209-Y218 HydrophobicContact CB-CD2 4.32Å; N209-Y218 HydrophobicContact CB-CE2 3.97Å; N209-Y218 CarbonylContact O-C 3.47Å; N209-Y218 WeakPolarHBondContact O-CA 3.46Å; N209-Y218 WeakPolarHBondContact O-CD2 3.06Å; Y210-Y218 AromaticContact CD1-CD2 3.91Å; Y210-Y218 HydrophobicContact CD1-CD2 3.91Å; Y210-Y218 AromaticContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CD2 3.43Å; Y210-Y218 VanDerWaalsContact CE1-CD2 3.43Å; Y210-Y218 HydrophobicContact CE1-CE2 4.16Å; Y210-Y218 HydrophobicContact CE1-CG 4.29Å; Y210-Y218 HydrophobicContact CE2-CD2 4.19Å; Y210-Y218 HydrophobicContact CE2-CE2 4.23Å; Y210-Y218 HydrophobicContact CG-CD2 4.48Å; Y210-Y218 AromaticContact CZ-CD2 3.61Å; Y210-Y218 AromaticContact CZ-CE2 3.85Å; S216-Y218 PolarHBondContact O-N 3.21Å; Y218-N220 HydrophobicContact CD1-CB 3.73Å; Y218-N220 HydrophobicContact CE1-CB 3.14Å; Y218-N220 HydrophobicContact CE2-CB 4.01Å; Y218-N220 HydrophobicContact CG-CB 4.4Å; Y218-N220 PolarHBondContact O-N 3.36Å; Y218-N220 PolarHBondContact OH-ND2 2.92Å; Y218-I223 HydrophobicContact CD1-CB 4.35Å; Y218-I223 HydrophobicContact CD1-CG2 4.39Å; Y218-I223 HydrophobicContact CE1-CB 3.85Å; Y218-I223 HydrophobicContact CE1-CD1 3.62Å; Y218-I223 HydrophobicContact CE1-CG1 4.14Å; Y218-I223 HydrophobicContact CE1-CG2 4.13Å
219N81.9Confident86.6Confident82 Ų8261.7 Ų61.744%0.43934%0.343SS..  trans-86.347.2175.4-67.8-9.4000111.9N209 S211 I217 P221N209-N219 WeakPolarHBondContact O-CA 3.38Å; N209-N219 PolarHBondContact O-N 2.95Å; S211-N219 WeakPolarHBondContact CB-ND2 3.23Å; S211-N219 VanDerWaalsContact OG-CG 3.28Å; S211-N219 PolarHBondContact OG-ND2 3.39Å; S211-N219 PolarHBondContact OG-OD1 3.39Å; I217-N219 WeakPolarHBondContact CG2-OD1 3.38Å; I217-N219 PolarHBondContact O-N 3.04Å; N219-P221 WeakPolarHBondContact O-CD 3.46Å
220N81.1Confident87Confident20 Ų2065.6 Ų65.611%0.10736%0.364CS..  trans-89.4106.4166-172.8-14.3000108.7N209 Y218 C222 I223N209-N220 HydrophobicContact CB-CB 4.4Å; Y218-N220 HydrophobicContact CD1-CB 3.73Å; Y218-N220 HydrophobicContact CE1-CB 3.14Å; Y218-N220 HydrophobicContact CE2-CB 4.01Å; Y218-N220 HydrophobicContact CG-CB 4.4Å; Y218-N220 PolarHBondContact O-N 3.36Å; Y218-N220 PolarHBondContact OH-ND2 2.92Å; N220-C222 PolarHBondContact O-N 3.33Å; N220-C222 WeakPolarHBondContact OD1-CA 3.25Å; N220-C222 WeakPolarHBondContact OD1-CB 3.02Å; N220-C222 PolarHBondContact OD1-N 3Å; N220-I223 HydrophobicContact CB-CB 4.24Å; N220-I223 HydrophobicContact CB-CG1 4.4Å; N220-I223 PolarHBondContact O-N 3.08Å
221P82.4Confident87.3Confident45 Ų4562.5 Ų62.529%0.29235%0.354SS..THydrogen-bonded Turntrans-62.7-13.1177.724.9-33.6000113.3N219 P226 I235 G242 Y243N219-P221 WeakPolarHBondContact O-CD 3.46Å; P221-P226 WeakPolarHBondContact O-CD 3.47Å; P221-P226 WeakPolarHBondContact O-CG 3.16Å; P221-I235 HydrophobicContact CG-CG1 4.39Å; P221-G242 VanDerWaalsContact CG-O 3.25Å; P221-G242 WeakPolarHBondContact CG-O 3.42Å; P221-Y243 HydrophobicContact CB-CD1 3.7Å; P221-Y243 HydrophobicContact CB-CG 4.26Å; P221-Y243 HydrophobicContact CG-CD1 4.46Å
222C87.3Confident87.7Confident15 Ų1564.6 Ų64.610%0.10137%0.368CS..THydrogen-bonded Turntrans-86.42172-62.50000114.2N220 P224 S225 C233N220-C222 PolarHBondContact O-N 3.33Å; N220-C222 WeakPolarHBondContact OD1-CA 3.25Å; N220-C222 WeakPolarHBondContact OD1-CB 3.02Å; N220-C222 PolarHBondContact OD1-N 3Å; C222-P224 CarbonylContact C-O 3.39Å; C222-P224 CarbonylContact O-C 3.43Å; C222-P224 VanDerWaalsContact O-C 3.3Å; C222-S225 WeakPolarHBondContact O-CA 3.06Å; C222-S225 PolarHBondContact O-N 2.87Å; C222-C233 WeakPolarHBondContact CA-SG 3.35Å; C222-C233 HydrophobicContact CB-CB 3.5Å; C222-C233 VanDerWaalsContact CB-CB 3.5Å; C222-C233 WeakPolarHBondContact CB-SG 3.33Å; C222-C233 WeakPolarHBondContact SG-CB 3.31Å; C222-C233 CovalentContact SG-SG 2.03Å; C222-C233 PolarHBondContact SG-SG 3.41Å
223I82.5Confident88.1Confident101 Ų10164.5 Ų64.552%0.51836%0.362SS..SBendtrans-131.6109.5-179.4-63.5-177.4000110.2Y218 N220Y218-I223 HydrophobicContact CD1-CB 4.35Å; Y218-I223 HydrophobicContact CD1-CG2 4.39Å; Y218-I223 HydrophobicContact CE1-CB 3.85Å; Y218-I223 HydrophobicContact CE1-CD1 3.62Å; Y218-I223 HydrophobicContact CE1-CG1 4.14Å; Y218-I223 HydrophobicContact CE1-CG2 4.13Å; N220-I223 HydrophobicContact CB-CB 4.24Å; N220-I223 HydrophobicContact CB-CG1 4.4Å; N220-I223 PolarHBondContact O-N 3.08Å
224P85.1Confident88.2Confident121 Ų12160.8 Ų60.879%0.78635%0.345SS*.SBendcis-66.7151-6.130-34.4000111.6C222 P226C222-P224 CarbonylContact C-O 3.39Å; C222-P224 CarbonylContact O-C 3.43Å; C222-P224 VanDerWaalsContact O-C 3.3Å; P224-P226 WeakPolarHBondContact O-CD 3.26Å
225S88.9Confident87.9Confident61 Ų6161.7 Ų61.743%0.42735%0.349SS..  trans-60.4122.5-176.7-1780000111C222 C227C222-S225 WeakPolarHBondContact O-CA 3.06Å; C222-S225 PolarHBondContact O-N 2.87Å; S225-C227 PolarHBondContact O-N 3.25Å; S225-C227 PolarHBondContact OG-N 3.42Å
226P89.1Confident87.6Confident28 Ų2864.2 Ų64.218%0.18236%0.362CS..  trans-73.3-21173.429.6-32.9000111.1P221 P224 Y243P221-P226 WeakPolarHBondContact O-CD 3.47Å; P221-P226 WeakPolarHBondContact O-CG 3.16Å; P224-P226 WeakPolarHBondContact O-CD 3.26Å; P226-Y243 HydrophobicContact CB-CD2 4.5Å; P226-Y243 HydrophobicContact CB-CE1 4.22Å; P226-Y243 HydrophobicContact CB-CE2 3.76Å; P226-Y243 HydrophobicContact CG-CD1 4.1Å; P226-Y243 HydrophobicContact CG-CD2 3.5Å; P226-Y243 VanDerWaalsContact CG-CD2 3.5Å; P226-Y243 HydrophobicContact CG-CE1 3.82Å; P226-Y243 HydrophobicContact CG-CE2 3.23Å; P226-Y243 HydrophobicContact CG-CG 3.94Å
227C93.2Very high87.3Confident10 Ų1069.9 Ų69.97%0.06838%0.382CS..  trans-72.6128.1-177.2-46.70000111.2S225 A231 C233 C245S225-C227 PolarHBondContact O-N 3.25Å; S225-C227 PolarHBondContact OG-N 3.42Å; C227-A231 HydrophobicContact CB-CB 3.79Å; C227-C233 WeakPolarHBondContact SG-CB 2.95Å; C227-C245 WeakPolarHBondContact CA-SG 3.31Å; C227-C245 HydrophobicContact CB-CB 3.72Å; C227-C245 WeakPolarHBondContact CB-SG 3.32Å; C227-C245 VanDerWaalsContact SG-CA 3.51Å; C227-C245 WeakPolarHBondContact SG-CB 3.34Å; C227-C245 CovalentContact SG-SG 2.02Å; C227-C245 PolarHBondContact SG-SG 2.7Å
228K93.3Very high87.3Confident114 Ų11471.7 Ų71.750%0.49640%0.397SS..SBendtrans-86.3168.1178.1-59.5-58.5-179-173.80111.4D230 A231 I255 E257K228-D230 VanDerWaalsContact C-N 3.28Å; K228-D230 PolarHBondContact O-N 2.77Å; K228-A231 WeakPolarHBondContact O-CB 3.14Å; K228-A231 PolarHBondContact O-N 3.24Å; K228-A231 VanDerWaalsContact O-N 3.1Å; K228-I255 HydrophobicContact CG-CD1 4.09Å; K228-I255 HydrophobicContact CG-CG1 4.38Å; K228-I255 PolarHBondContact N-O 2.97Å; K228-E257 HydrophobicContact CB-CB 4.48Å; K228-E257 HydrophobicContact CG-CB 4.28Å
229N91.9Very high87.4Confident67 Ų6768.3 Ų68.336%0.35839%0.388SS..THydrogen-bonded Turntrans56.439.3173.7-56.8-50.6000113.8A231 F251 C256N229-A231 PolarHBondContact O-N 2.85Å; N229-A231 VanDerWaalsContact O-N 3.15Å; N229-F251 HydrophobicContact CB-CD1 3.63Å; N229-F251 HydrophobicContact CB-CD2 4.3Å; N229-F251 HydrophobicContact CB-CE1 3.49Å; N229-F251 VanDerWaalsContact CB-CE1 3.49Å; N229-F251 HydrophobicContact CB-CE2 4.19Å; N229-F251 HydrophobicContact CB-CG 4.02Å; N229-F251 HydrophobicContact CB-CZ 3.78Å; N229-F251 VanDerWaalsContact CG-CD1 3.48Å; N229-F251 WeakPolarHBondContact ND2-CD1 3.26Å; N229-F251 VanDerWaalsContact ND2-CE1 3.34Å; N229-F251 WeakPolarHBondContact ND2-CE1 3.41Å; N229-C256 PolarHBondContact ND2-O 2.85Å
230D90.3Very high87.3Confident134 Ų13470.2 Ų70.272%0.71740%0.404SS*.THydrogen-bonded Turntrans53.730-177.4-59.2-32.5000113.8K228 K248K228-D230 VanDerWaalsContact C-N 3.28Å; K228-D230 PolarHBondContact O-N 2.77Å; D230-K248 VanDerWaalsContact CB-NZ 3.28Å; D230-K248 VanDerWaalsContact O-CE 3.28Å; D230-K248 WeakPolarHBondContact O-CE 3.41Å; D230-K248 IonicContact OD2-NZ 3.97Å
231A92.8Very high87.3Confident8 Ų877.5 Ų77.57%0.06643%0.431CS..PPolyproline II helixtrans-67.6145.5174.900000111.2C227 K228 N229 C233 L246 C256C227-A231 HydrophobicContact CB-CB 3.79Å; K228-A231 WeakPolarHBondContact O-CB 3.14Å; K228-A231 PolarHBondContact O-N 3.24Å; K228-A231 VanDerWaalsContact O-N 3.1Å; N229-A231 PolarHBondContact O-N 2.85Å; N229-A231 VanDerWaalsContact O-N 3.15Å; A231-C233 PolarHBondContact O-N 3.48Å; A231-L246 WeakPolarHBondContact CB-O 3.3Å; A231-C256 HydrophobicContact CB-CB 3.68Å; A231-C256 VanDerWaalsContact CB-SG 3.56Å
232S93.4Very high87.3Confident77 Ų7776.3 Ų76.354%0.53843%0.428SS..EExtended strand (participates in β ladder)trans-77124179.7-59.30000109.8L246S232-L246 PolarHBondContact N-O 3.03Å; S232-L246 PolarHBondContact O-N 3.1Å
233C92Very high87.3Confident33 Ų3377.7 Ų77.722%0.22343%0.431CS..EExtended strand (participates in β ladder)trans-92.6133.1174.7-169.90000110.4C222 C227 A231C222-C233 WeakPolarHBondContact CA-SG 3.35Å; C222-C233 HydrophobicContact CB-CB 3.5Å; C222-C233 VanDerWaalsContact CB-CB 3.5Å; C222-C233 WeakPolarHBondContact CB-SG 3.33Å; C222-C233 WeakPolarHBondContact SG-CB 3.31Å; C222-C233 CovalentContact SG-SG 2.03Å; C222-C233 PolarHBondContact SG-SG 3.41Å; C227-C233 WeakPolarHBondContact SG-CB 2.95Å; A231-C233 PolarHBondContact O-N 3.48Å
234T90.3Very high87.8Confident63 Ų6375.3 Ų75.339%0.38742%0.421SS..EExtended strand (participates in β ladder)trans-123.2133.2172.456.30000109.4N236 Y243 T244 L246T234-N236 PolarHBondContact O-N 2.9Å; T234-Y243 CarbonylContact O-C 3.55Å; T234-Y243 WeakPolarHBondContact O-CA 3.43Å; T234-T244 PolarHBondContact N-O 3.27Å; T234-T244 PolarHBondContact O-N 3.23Å; T234-T244 PolarHBondContact OG1-O 3.07Å; T234-L246 HydrophobicContact CG2-CD1 4.17Å
235I83.9Confident88.2Confident72 Ų7270.2 Ų70.237%0.36939%0.388SS..EExtended strand (participates in β ladder)trans-60.9129.8170.9-63155.8000108N209 P221N209-I235 WeakPolarHBondContact OD1-CD1 3.03Å; P221-I235 HydrophobicContact CG-CG1 4.39Å
236N85.7Confident88.5Confident52 Ų5272.2 Ų72.228%0.27839%0.394SS..  trans-141.5100.7178.7-177.3-0.3000109T234 T238 S239 G242 T244T234-N236 PolarHBondContact O-N 2.9Å; N236-T238 PolarHBondContact ND2-OG1 3.15Å; N236-T238 PolarHBondContact O-N 2.93Å; N236-T238 PolarHBondContact OD1-N 3.3Å; N236-T238 VanDerWaalsContact OD1-N 3.08Å; N236-T238 PolarHBondContact OD1-OG1 3.46Å; N236-S239 VanDerWaalsContact O-CB 3.27Å; N236-S239 WeakPolarHBondContact O-CB 3.41Å; N236-S239 PolarHBondContact O-N 2.9Å; N236-G242 CarbonylContact C-O 3.49Å; N236-G242 PolarHBondContact N-O 3.38Å; N236-G242 CarbonylContact O-C 3.6Å; N236-G242 VanDerWaalsContact O-CA 3.32Å; N236-G242 WeakPolarHBondContact O-CA 3.5Å; N236-T244 VanDerWaalsContact CB-OG1 3.31Å; N236-T244 WeakPolarHBondContact CB-OG1 3.45Å; N236-T244 PolarHBondContact ND2-OG1 3.09Å
237E82.2Confident88.6Confident183 Ų18373.2 Ų73.286%0.85540%0.401SS*.THydrogen-bonded Turntrans-67.2-17.2-178.4-61.1-177.8174.600113.4S239E237-S239 VanDerWaalsContact C-N 3.3Å
238T84.2Confident88.6Confident126 Ų12677.4 Ų77.477%0.77342%0.418SS*.THydrogen-bonded Turntrans-79.3-16173.867.20000112.9N236N236-T238 PolarHBondContact ND2-OG1 3.15Å; N236-T238 PolarHBondContact O-N 2.93Å; N236-T238 PolarHBondContact OD1-N 3.3Å; N236-T238 VanDerWaalsContact OD1-N 3.08Å; N236-T238 PolarHBondContact OD1-OG1 3.46Å
239S84.1Confident88.4Confident23 Ų2378.2 Ų78.216%0.16144%0.435CS..SBendtrans-77.8136.2174177.30000109.4N236 E237 Y241 G242 Y243N236-S239 VanDerWaalsContact O-CB 3.27Å; N236-S239 WeakPolarHBondContact O-CB 3.41Å; N236-S239 PolarHBondContact O-N 2.9Å; E237-S239 VanDerWaalsContact C-N 3.3Å; S239-Y241 PolarHBondContact O-N 3Å; S239-Y241 PolarHBondContact OG-N 3.2Å; S239-G242 PolarHBondContact O-N 3.44Å; S239-Y243 WeakPolarHBondContact CB-O 3.27Å; S239-Y243 PolarHBondContact OG-O 2.76Å
240P79.5Confident88.3Confident122 Ų12276.7 Ų76.779%0.79244%0.435SS*.THydrogen-bonded Turntrans-60.4-14175.323.5-32.1000113.4
241Y81.2Confident88.4Confident172 Ų17272.8 Ų72.868%0.67541%0.412SS*.THydrogen-bonded Turntrans-101.4-4.6176.1-50.6-71.9000113.6S239 Y243S239-Y241 PolarHBondContact O-N 3Å; S239-Y241 PolarHBondContact OG-N 3.2Å; Y241-Y243 VanDerWaalsContact C-N 3.28Å; Y241-Y243 VanDerWaalsContact CB-CE1 3.44Å; Y241-Y243 HydrophobicContact CG-CE1 4.39Å; Y241-Y243 WeakPolarHBondContact O-CD1 3.49Å; Y241-Y243 PolarHBondContact O-N 3.04Å
242G82.8Confident88.1Confident21 Ų2175.5 Ų75.522%0.21642%0.421CS..SBendtrans782-177.800000115.3P221 N236 S239P221-G242 VanDerWaalsContact CG-O 3.25Å; P221-G242 WeakPolarHBondContact CG-O 3.42Å; N236-G242 CarbonylContact C-O 3.49Å; N236-G242 PolarHBondContact N-O 3.38Å; N236-G242 CarbonylContact O-C 3.6Å; N236-G242 VanDerWaalsContact O-CA 3.32Å; N236-G242 WeakPolarHBondContact O-CA 3.5Å; S239-G242 PolarHBondContact O-N 3.44Å
243Y87.4Confident87.8Confident44 Ų4472.9 Ų72.917%0.17341%0.406CS..EExtended strand (participates in β ladder)trans-143166.7179.569-87000113P221 P226 T234 S239 Y241 I255P221-Y243 HydrophobicContact CB-CD1 3.7Å; P221-Y243 HydrophobicContact CB-CG 4.26Å; P221-Y243 HydrophobicContact CG-CD1 4.46Å; P226-Y243 HydrophobicContact CB-CD2 4.5Å; P226-Y243 HydrophobicContact CB-CE1 4.22Å; P226-Y243 HydrophobicContact CB-CE2 3.76Å; P226-Y243 HydrophobicContact CG-CD1 4.1Å; P226-Y243 HydrophobicContact CG-CD2 3.5Å; P226-Y243 VanDerWaalsContact CG-CD2 3.5Å; P226-Y243 HydrophobicContact CG-CE1 3.82Å; P226-Y243 HydrophobicContact CG-CE2 3.23Å; P226-Y243 HydrophobicContact CG-CG 3.94Å; T234-Y243 CarbonylContact O-C 3.55Å; T234-Y243 WeakPolarHBondContact O-CA 3.43Å; S239-Y243 WeakPolarHBondContact CB-O 3.27Å; S239-Y243 PolarHBondContact OG-O 2.76Å; Y241-Y243 VanDerWaalsContact C-N 3.28Å; Y241-Y243 VanDerWaalsContact CB-CE1 3.44Å; Y241-Y243 HydrophobicContact CG-CE1 4.39Å; Y241-Y243 WeakPolarHBondContact O-CD1 3.49Å; Y241-Y243 PolarHBondContact O-N 3.04Å; Y243-I255 HydrophobicContact CE2-CG2 4.12Å
244T91.8Very high87.6Confident51 Ų5174.3 Ų74.331%0.31343%0.426SS..EExtended strand (participates in β ladder)trans-139.7140.7170.1-58.50000109.5T234 N236T234-T244 PolarHBondContact N-O 3.27Å; T234-T244 PolarHBondContact O-N 3.23Å; T234-T244 PolarHBondContact OG1-O 3.07Å; N236-T244 VanDerWaalsContact CB-OG1 3.31Å; N236-T244 WeakPolarHBondContact CB-OG1 3.45Å; N236-T244 PolarHBondContact ND2-OG1 3.09Å
245C94.2Very high87.6Confident13 Ų1373.5 Ų73.59%0.08842%0.419CS..EExtended strand (participates in β ladder)trans-102.2128.5177.6-62.70000111C227C227-C245 WeakPolarHBondContact CA-SG 3.31Å; C227-C245 HydrophobicContact CB-CB 3.72Å; C227-C245 WeakPolarHBondContact CB-SG 3.32Å; C227-C245 VanDerWaalsContact SG-CA 3.51Å; C227-C245 WeakPolarHBondContact SG-CB 3.34Å; C227-C245 CovalentContact SG-SG 2.02Å; C227-C245 PolarHBondContact SG-SG 2.7Å
246L94.1Very high88Confident103 Ų10370.1 Ų70.154%0.53940%0.402SS..EExtended strand (participates in β ladder)trans-94.5107.4172.6-64.5171.8000109.3A231 S232 T234A231-L246 WeakPolarHBondContact CB-O 3.3Å; S232-L246 PolarHBondContact N-O 3.03Å; S232-L246 PolarHBondContact O-N 3.1Å; T234-L246 HydrophobicContact CG2-CD1 4.17Å
247C92.4Very high88.3Confident49 Ų4971.3 Ų71.333%0.33141%0.406SS..PPolyproline II helixtrans-74.9137.7-175.9-51.40000112F251 C256C247-F251 HydrophobicContact CB-CB 4.16Å; C247-F251 VanDerWaalsContact CB-O 3.27Å; C247-F251 WeakPolarHBondContact CB-O 3.03Å; C247-C256 WeakPolarHBondContact CA-SG 3.31Å; C247-C256 HydrophobicContact CB-CB 3.72Å; C247-C256 WeakPolarHBondContact CB-SG 3.32Å; C247-C256 PolarHBondContact N-SG 2.86Å; C247-C256 WeakPolarHBondContact SG-CA 3.34Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.04Å; C247-C256 PolarHBondContact SG-SG 2.89Å
248K92.3Very high88.5Confident98 Ų9863.1 Ų63.143%0.42637%0.37SS..PPolyproline II helixtrans-62.8154.7166.9-72.7-178.9-178.9173.70110D230 G250 F251D230-K248 VanDerWaalsContact CB-NZ 3.28Å; D230-K248 VanDerWaalsContact O-CE 3.28Å; D230-K248 WeakPolarHBondContact O-CE 3.41Å; D230-K248 IonicContact OD2-NZ 3.97Å; K248-G250 PolarHBondContact O-N 2.81Å; K248-F251 HydrophobicContact CB-CD2 3.99Å; K248-F251 PolarHBondContact O-N 3.41Å
249P90.1Very high88.6Confident132 Ų13263 Ų6386%0.85736%0.363SS*.THydrogen-bonded Turntrans-50.5131.2175.1-26.234.3000111.7
250G89.2Confident88.3Confident35 Ų3567.7 Ų67.736%0.36138%0.382SS..THydrogen-bonded Turntrans91.2-8-177.200000115.1K248 Y252 I259K248-G250 PolarHBondContact O-N 2.81Å; G250-Y252 WeakPolarHBondContact O-CE2 3.49Å; G250-I259 CarbonylContact O-C 3.06Å; G250-I259 WeakPolarHBondContact O-CA 3.48Å
251F91.8Very high87.9Confident52 Ų5270.4 Ų70.423%0.22838%0.376CS..  trans-109.3149174.7-62.3-84.7000112.3N229 C247 K248 C256 A258 I259N229-F251 HydrophobicContact CB-CD1 3.63Å; N229-F251 HydrophobicContact CB-CD2 4.3Å; N229-F251 HydrophobicContact CB-CE1 3.49Å; N229-F251 VanDerWaalsContact CB-CE1 3.49Å; N229-F251 HydrophobicContact CB-CE2 4.19Å; N229-F251 HydrophobicContact CB-CG 4.02Å; N229-F251 HydrophobicContact CB-CZ 3.78Å; N229-F251 VanDerWaalsContact CG-CD1 3.48Å; N229-F251 WeakPolarHBondContact ND2-CD1 3.26Å; N229-F251 VanDerWaalsContact ND2-CE1 3.34Å; N229-F251 WeakPolarHBondContact ND2-CE1 3.41Å; C247-F251 HydrophobicContact CB-CB 4.16Å; C247-F251 VanDerWaalsContact CB-O 3.27Å; C247-F251 WeakPolarHBondContact CB-O 3.03Å; K248-F251 HydrophobicContact CB-CD2 3.99Å; K248-F251 PolarHBondContact O-N 3.41Å; F251-C256 HydrophobicContact CB-CB 4.37Å; F251-A258 CarbonylContact C-O 3.47Å; F251-A258 WeakPolarHBondContact CA-O 3.29Å; F251-I259 HydrophobicContact CD1-CG1 4.21Å; F251-I259 HydrophobicContact CE1-CG1 3.96Å
252Y87.9Confident87.4Confident64 Ų6465.4 Ų65.425%0.25137%0.367SS..BIsolated β-bridgetrans-144.4157.6-174.1-51.8-78.4000111.1G250 C256 E257 A258 R261G250-Y252 WeakPolarHBondContact O-CE2 3.49Å; Y252-C256 CarbonylContact O-C 3.58Å; Y252-C256 WeakPolarHBondContact O-CA 3.47Å; Y252-E257 PolarHBondContact O-N 3.39Å; Y252-A258 PolarHBondContact N-O 3.26Å; Y252-A258 WeakPolarHBondContact O-CB 3.22Å; Y252-A258 PolarHBondContact O-N 3.23Å; Y252-R261 HydrophobicContact CD1-CG 3.51Å; Y252-R261 HydrophobicContact CD2-CB 4.5Å; Y252-R261 HydrophobicContact CD2-CG 3.8Å; Y252-R261 HydrophobicContact CE1-CG 3.32Å; Y252-R261 HydrophobicContact CE2-CG 3.61Å; Y252-R261 HydrophobicContact CG-CG 3.74Å; Y252-R261 PolarHBondContact OH-NE 3.41Å
253G87.1Confident86.4Confident22 Ų2266.1 Ų66.123%0.22737%0.371CS..SBendtrans119.5171.5175.600000112.5I255 C256 L264G253-I255 PolarHBondContact O-N 3.1Å; G253-C256 PolarHBondContact O-N 2.58Å; G253-L264 VanDerWaalsContact CA-CD2 3.5Å
254G87Confident84.9Confident63 Ų6366.6 Ų66.665%0.64938%0.376SS*.SBendtrans-64.8-30.417900000112.7
255I91.1Very high83.4Confident47 Ų4769.6 Ų69.624%0.24139%0.39CS..SBendtrans-118.116.2175.564.2171.4000112.6K228 Y243 G253 E257K228-I255 HydrophobicContact CG-CD1 4.09Å; K228-I255 HydrophobicContact CG-CG1 4.38Å; K228-I255 PolarHBondContact N-O 2.97Å; Y243-I255 HydrophobicContact CE2-CG2 4.12Å; G253-I255 PolarHBondContact O-N 3.1Å; I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 HydrophobicContact CD1-CB 4.47Å; I255-E257 HydrophobicContact CG1-CB 4.09Å; I255-E257 HydrophobicContact CG1-CG 4.3Å; I255-E257 WeakPolarHBondContact CG1-OE2 3.08Å; I255-E257 PolarHBondContact N-OE2 3.02Å; I255-E257 PolarHBondContact O-N 2.04Å
256C92.9Very high81.6Confident0 Ų071.8 Ų71.80%041%0.405CS..SBendtrans61.433.1178.8-50.30000115.1N229 A231 C247 F251 Y252 G253N229-C256 PolarHBondContact ND2-O 2.85Å; A231-C256 HydrophobicContact CB-CB 3.68Å; A231-C256 VanDerWaalsContact CB-SG 3.56Å; C247-C256 WeakPolarHBondContact CA-SG 3.31Å; C247-C256 HydrophobicContact CB-CB 3.72Å; C247-C256 WeakPolarHBondContact CB-SG 3.32Å; C247-C256 PolarHBondContact N-SG 2.86Å; C247-C256 WeakPolarHBondContact SG-CA 3.34Å; C247-C256 WeakPolarHBondContact SG-CB 3.49Å; C247-C256 CovalentContact SG-SG 2.04Å; C247-C256 PolarHBondContact SG-SG 2.89Å; F251-C256 HydrophobicContact CB-CB 4.37Å; Y252-C256 CarbonylContact O-C 3.58Å; Y252-C256 WeakPolarHBondContact O-CA 3.47Å; G253-C256 PolarHBondContact O-N 2.58Å
257E91.5Very high79.7Confident77 Ų7772.5 Ų72.536%0.3640%0.404SS..  trans-79.5-24.3-176.869.1-83.2-155.600114.7K228 Y252 I255K228-E257 HydrophobicContact CB-CB 4.48Å; K228-E257 HydrophobicContact CG-CB 4.28Å; Y252-E257 PolarHBondContact O-N 3.39Å; I255-E257 VanDerWaalsContact C-N 3.33Å; I255-E257 HydrophobicContact CD1-CB 4.47Å; I255-E257 HydrophobicContact CG1-CB 4.09Å; I255-E257 HydrophobicContact CG1-CG 4.3Å; I255-E257 WeakPolarHBondContact CG1-OE2 3.08Å; I255-E257 PolarHBondContact N-OE2 3.02Å; I255-E257 PolarHBondContact O-N 2.04Å
258A86.9Confident77.8Confident12 Ų1278.6 Ų78.610%0.09942%0.421CS..BIsolated β-bridgetrans-94.4144.1-174.100000112.2F251 Y252 A263 L264F251-A258 CarbonylContact C-O 3.47Å; F251-A258 WeakPolarHBondContact CA-O 3.29Å; Y252-A258 PolarHBondContact N-O 3.26Å; Y252-A258 WeakPolarHBondContact O-CB 3.22Å; Y252-A258 PolarHBondContact O-N 3.23Å; A258-A263 HydrophobicContact CB-CB 4.18Å; A258-L264 HydrophobicContact CB-CD2 4.14Å; A258-L264 HydrophobicContact CB-CG 4.13Å
259I84.5Confident76.3Confident123 Ų12378.5 Ų78.563%0.63142%0.424SS*.SBendtrans-99.8-10.6178.5-43.5173.9000111.4G250 F251G250-I259 CarbonylContact O-C 3.06Å; G250-I259 WeakPolarHBondContact O-CA 3.48Å; F251-I259 HydrophobicContact CD1-CG1 4.21Å; F251-I259 HydrophobicContact CE1-CG1 3.96Å
260E78.2Confident74.6Confident121 Ų12177.6 Ų77.657%0.56541%0.411SS*.SBendtrans-131138.3176.7-64.1-176.4-179.400110.3S262 A263E260-S262 PolarHBondContact O-N 3.34Å; E260-S262 PolarHBondContact OE2-OG 2.71Å; E260-A263 HydrophobicContact CB-CB 4.39Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.39Å
261R70.9Confident72.9Confident179 Ų17980.3 Ų80.368%0.67542%0.418SS*.Hα-helixtrans-58.5-33.9176.2-69-173.7-172.2-137-0.4112.1Y252 A263 L264Y252-R261 HydrophobicContact CD1-CG 3.51Å; Y252-R261 HydrophobicContact CD2-CB 4.5Å; Y252-R261 HydrophobicContact CD2-CG 3.8Å; Y252-R261 HydrophobicContact CE1-CG 3.32Å; Y252-R261 HydrophobicContact CE2-CG 3.61Å; Y252-R261 HydrophobicContact CG-CG 3.74Å; Y252-R261 PolarHBondContact OH-NE 3.41Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.9Å; R261-L264 PolarHBondContact O-N 3.33Å
262S70.5Confident71.3Confident67 Ų6781.3 Ų81.347%0.46943%0.428SS..Hα-helixtrans-64.4-27.7177.428.20000113.5E260 L264 L265 S266E260-S262 PolarHBondContact O-N 3.34Å; E260-S262 PolarHBondContact OE2-OG 2.71Å; S262-L264 PolarHBondContact O-N 3.27Å; S262-L265 PolarHBondContact O-N 3.05Å; S262-S266 PolarHBondContact O-N 2.81Å
263A61.9Low69.7Low37 Ų3782.5 Ų82.531%0.30644%0.438SS..Hα-helixtrans-70.9-20.1179.800000113.1A258 E260 R261 S266 K267A258-A263 HydrophobicContact CB-CB 4.18Å; E260-A263 HydrophobicContact CB-CB 4.39Å; E260-A263 WeakPolarHBondContact O-CB 3.23Å; E260-A263 PolarHBondContact O-N 3.39Å; R261-A263 VanDerWaalsContact C-N 3.29Å; R261-A263 PolarHBondContact O-N 2.9Å; A263-S266 WeakPolarHBondContact CA-OG 3.47Å; A263-S266 PolarHBondContact O-OG 3.47Å; A263-K267 PolarHBondContact O-N 2.04Å
264L57Low68Low53 Ų5385.1 Ų85.128%0.27745%0.452SS..Hα-helixtrans-76.5-36.4171.5-66168.9000111.7G253 A258 R261 S262 Y268G253-L264 VanDerWaalsContact CA-CD2 3.5Å; A258-L264 HydrophobicContact CB-CD2 4.14Å; A258-L264 HydrophobicContact CB-CG 4.13Å; R261-L264 PolarHBondContact O-N 3.33Å; S262-L264 PolarHBondContact O-N 3.27Å; L264-Y268 PolarHBondContact O-N 3.47Å; L264-Y268 VanDerWaalsContact O-N 3.12Å
265L59.2Low66.3Low115 Ų11587.7 Ų87.760%0.60246%0.459SS*.Hα-helixtrans-70.8-36.3175.1-75162.6000111S262 I269S262-L265 PolarHBondContact O-N 3.05Å; L265-I269 VanDerWaalsContact O-CB 3.24Å; L265-I269 WeakPolarHBondContact O-CB 3.02Å; L265-I269 WeakPolarHBondContact O-CD1 3.49Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.03Å
266S57.4Low64.6Low59 Ų5991.7 Ų91.741%0.41348%0.48SS..Hα-helixtrans-66.7-36.8176.766.90000112S262 A263 L270S262-S266 PolarHBondContact O-N 2.81Å; A263-S266 WeakPolarHBondContact CA-OG 3.47Å; A263-S266 PolarHBondContact O-OG 3.47Å; S266-L270 WeakPolarHBondContact O-CB 3.29Å; S266-L270 WeakPolarHBondContact O-CD1 3.28Å; S266-L270 WeakPolarHBondContact O-CG 3.04Å; S266-L270 PolarHBondContact O-N 3.27Å
267K53.5Low62.4Low118 Ų11894.8 Ų94.851%0.51350%0.502SS..Hα-helixtrans-71.4-42.2176.3-162.7175.9-178-177.50112.6A263 L270 D271A263-K267 PolarHBondContact O-N 2.04Å; K267-L270 PolarHBondContact O-N 2.93Å; K267-D271 WeakPolarHBondContact O-CB 3.06Å; K267-D271 PolarHBondContact O-N 3.23Å
268Y53.9Low60.6Low176 Ų17697.5 Ų97.569%0.6952%0.523SS*.Hα-helixtrans-63.6-42.2172-95.3-89.3000111.5L264 D271 T272L264-Y268 PolarHBondContact O-N 3.47Å; L264-Y268 VanDerWaalsContact O-N 3.12Å; Y268-D271 PolarHBondContact O-N 3.23Å; Y268-T272 WeakPolarHBondContact O-CB 3.47Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 3.04Å
269I59.6Low58.8Low97 Ų97104.2 Ų104.250%0.49756%0.557SS.*Hα-helixtrans-66.3-38.9176.8-68165.1000110.5L265 L273L265-I269 VanDerWaalsContact O-CB 3.24Å; L265-I269 WeakPolarHBondContact O-CB 3.02Å; L265-I269 WeakPolarHBondContact O-CD1 3.49Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.03Å; I269-L273 HydrophobicContact CG2-CD1 3.42Å; I269-L273 VanDerWaalsContact CG2-CD1 3.42Å; I269-L273 HydrophobicContact CG2-CG 4.16Å; I269-L273 WeakPolarHBondContact O-CA 3.07Å; I269-L273 WeakPolarHBondContact O-CB 3.37Å; I269-L273 VanDerWaalsContact O-CD1 3.28Å; I269-L273 WeakPolarHBondContact O-CD1 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 3.19Å
270L55Low56.9Low112 Ų112104 Ų10459%0.58657%0.565SS**Hα-helixtrans-67.6-44.3174.8-88.6151.7000112.5S266 K267 L273 C274S266-L270 WeakPolarHBondContact O-CB 3.29Å; S266-L270 WeakPolarHBondContact O-CD1 3.28Å; S266-L270 WeakPolarHBondContact O-CG 3.04Å; S266-L270 PolarHBondContact O-N 3.27Å; K267-L270 PolarHBondContact O-N 2.93Å; L270-L273 PolarHBondContact O-N 2.91Å; L270-C274 WeakPolarHBondContact O-CB 3.12Å; L270-C274 PolarHBondContact O-N 3.11Å
271D54Low55Low92 Ų92101.9 Ų101.949%0.49257%0.568SS.*Hα-helixtrans-71.4-36178.8-71.3-20.8000111.4K267 Y268 C274 C275K267-D271 WeakPolarHBondContact O-CB 3.06Å; K267-D271 PolarHBondContact O-N 3.23Å; Y268-D271 PolarHBondContact O-N 3.23Å; D271-C274 PolarHBondContact O-N 3.4Å; D271-C275 WeakPolarHBondContact O-CB 3.5Å; D271-C275 PolarHBondContact O-N 3.28Å
272T56.4Low53.5Low73 Ų73105 Ų10545%0.44860%0.598SS.*Hα-helixtrans-72.6-37.9174.2-39.70000110.8Y268 L276Y268-T272 WeakPolarHBondContact O-CB 3.47Å; Y268-T272 PolarHBondContact O-N 3.32Å; Y268-T272 PolarHBondContact O-OG1 3.04Å; T272-L276 HydrophobicContact CG2-CD1 4.01Å; T272-L276 VanDerWaalsContact O-CB 3.24Å; T272-L276 WeakPolarHBondContact O-CB 3.39Å; T272-L276 VanDerWaalsContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CD1 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.23Å; T272-L276 PolarHBondContact O-N 3.18Å
273L54.6Low52.6Low89 Ų89106.9 Ų106.947%0.46661%0.605SS.*Hα-helixtrans-67.8-33.8171.3-77.5163.3000111.6I269 L270 L276 C277I269-L273 HydrophobicContact CG2-CD1 3.42Å; I269-L273 VanDerWaalsContact CG2-CD1 3.42Å; I269-L273 HydrophobicContact CG2-CG 4.16Å; I269-L273 WeakPolarHBondContact O-CA 3.07Å; I269-L273 WeakPolarHBondContact O-CB 3.37Å; I269-L273 VanDerWaalsContact O-CD1 3.28Å; I269-L273 WeakPolarHBondContact O-CD1 3.38Å; I269-L273 WeakPolarHBondContact O-CG 3.24Å; I269-L273 PolarHBondContact O-N 3.19Å; L270-L273 PolarHBondContact O-N 2.91Å; L273-L276 CarbonylContact O-C 3.41Å; L273-L276 PolarHBondContact O-N 2.94Å; L273-C277 WeakPolarHBondContact O-CB 3.41Å; L273-C277 PolarHBondContact O-N 3.34Å; L273-C277 PolarHBondContact O-SG 2.78Å
274C52.6Low52.2Low77 Ų77110.6 Ų110.652%0.5262%0.621SS.*Hα-helixtrans-72.6-37.1176.9-149.10000111.2L270 D271 L276L270-C274 WeakPolarHBondContact O-CB 3.12Å; L270-C274 PolarHBondContact O-N 3.11Å; D271-C274 PolarHBondContact O-N 3.4Å; C274-L276 VanDerWaalsContact C-N 3.32Å
275C51.9Low51.9Low117 Ų117113.8 Ų113.879%0.79164%0.64SS**Hα-helixtrans-71.1-25.1170.6-80.10000113.3D271D271-C275 WeakPolarHBondContact O-CB 3.5Å; D271-C275 PolarHBondContact O-N 3.28Å
276L55.3Low51.5Low131 Ų131113.7 Ų113.769%0.68664%0.642SS**Hα-helixtrans-89-21.8175.7-73.8164.9000113T272 L273 C274T272-L276 HydrophobicContact CG2-CD1 4.01Å; T272-L276 VanDerWaalsContact O-CB 3.24Å; T272-L276 WeakPolarHBondContact O-CB 3.39Å; T272-L276 VanDerWaalsContact O-CD1 3.31Å; T272-L276 WeakPolarHBondContact O-CD1 3.47Å; T272-L276 WeakPolarHBondContact O-CG 3.23Å; T272-L276 PolarHBondContact O-N 3.18Å; L273-L276 CarbonylContact O-C 3.41Å; L273-L276 PolarHBondContact O-N 2.94Å; C274-L276 VanDerWaalsContact C-N 3.32Å
277C46.6Very low51.1Low66 Ų66117.1 Ų117.145%0.44666%0.656SS.*  trans-97.696.7176.6-71.90000109.8L273 L279L273-C277 WeakPolarHBondContact O-CB 3.41Å; L273-C277 PolarHBondContact O-N 3.34Å; L273-C277 PolarHBondContact O-SG 2.78Å; C277-L279 PolarHBondContact O-N 2.8Å
278T52.3Low50.9Low133 Ų133117.1 Ų117.182%0.81667%0.666SS**  trans-62.935.4161.337.20000113.6
279L50.3Low50.7Low153 Ų153112.9 Ų112.980%0.80166%0.664SS**  trans-115.344.9177.5-76.9161.7000111.1C277C277-L279 PolarHBondContact O-N 2.8Å
280C43.8Very low50Low119 Ų119114.1 Ų114.180%0.80468%0.677SS**  trans-12649.8154.9-75.10000108.6
281A37.5Very low49.6Very low77 Ų77114.3 Ų114.364%0.63668%0.684SS**  trans-12883.5164.600000106.4
282D40.1Very low49.2Very low244 Ų244116.3 Ų116.3100%1.30570%0.702SS**  trans-171.40147.1-86.9-25.3000108.7

Retrieved 282 of 282 residues in 574.4 ms (Link to these results)