A0A077YWY7_TRITR Loading...

NTF2-related export protein

Has a role in nuclear-cytoplasmic transport of proteins and mRNAs.

AlphaFold DB , UniProt , Accession A0A077YWY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M71.1Confident92.7Very high190 Ų19081.7 Ų81.794%0.93644%0.443SS*.  0124.70-63.2176.3169.900106.9Y3 A83M1-Y3 HydrophobicContact CB-CD2 4.34Å; M1-Y3 HydrophobicContact CB-CE2 3.89Å; M1-Y3 HydrophobicContact SD-CE2 4.22Å; M1-A83 CarbonylContact C-O 3.53Å; M1-A83 WeakPolarHBondContact CA-O 3.26Å; M1-A83 HydrophobicContact CB-CB 4.42Å; M1-A83 HydrophobicContact CG-CB 4.15Å
2A86.6Confident93.1Very high66 Ų6683.1 Ų83.155%0.54544%0.444SS..  trans-12773.6-177.100000108.7N4 A83 G85A2-N4 PolarHBondContact O-N 2.73Å; A2-A83 PolarHBondContact N-O 2.89Å; A2-G85 WeakPolarHBondContact O-CA 3.35Å; A2-G85 PolarHBondContact O-N 3.03Å
3Y93.6Very high93.4Very high126 Ų12680.9 Ų80.949%0.49445%0.445SS..  trans-64.7128.5175.6-64.1-80.6000109.7M1 P5 P81 L82 A83M1-Y3 HydrophobicContact CB-CD2 4.34Å; M1-Y3 HydrophobicContact CB-CE2 3.89Å; M1-Y3 HydrophobicContact SD-CE2 4.22Å; Y3-P5 WeakPolarHBondContact O-CD 3.38Å; Y3-P81 HydrophobicContact CD1-CB 3.99Å; Y3-P81 HydrophobicContact CD1-CG 4.11Å; Y3-L82 VanDerWaalsContact CD1-O 3.32Å; Y3-L82 WeakPolarHBondContact CD1-O 3.23Å; Y3-A83 HydrophobicContact CE1-CB 4.07Å
4N92.5Very high93.7Very high32 Ų3276.9 Ų76.917%0.17142%0.421CS..  trans-77.6115.7179.2-172.5-28.1000109.7A2 N6 F7 I10A2-N4 PolarHBondContact O-N 2.73Å; N4-N6 PolarHBondContact O-N 2.76Å; N4-N6 WeakPolarHBondContact OD1-CB 3.47Å; N4-N6 PolarHBondContact OD1-N 3.34Å; N4-F7 WeakPolarHBondContact O-CB 3.45Å; N4-F7 VanDerWaalsContact O-CD1 3.23Å; N4-F7 WeakPolarHBondContact O-CD1 3.15Å; N4-F7 PolarHBondContact O-N 3.31Å; N4-I10 WeakPolarHBondContact ND2-CD1 3.39Å
5P94.8Very high94Very high108 Ų10871.9 Ų71.970%0.70139%0.393SS*.THydrogen-bonded Turntrans-66.9-18.2-177.928.3-35.7000113.5Y3Y3-P5 WeakPolarHBondContact O-CD 3.38Å
6N95.4Very high94.2Very high103 Ų10375.3 Ų75.355%0.55141%0.406SS*.THydrogen-bonded Turntrans-95.514.8-178.2-60.3-40.7000113.1N4 E8 S9 I10N4-N6 PolarHBondContact O-N 2.76Å; N4-N6 WeakPolarHBondContact OD1-CB 3.47Å; N4-N6 PolarHBondContact OD1-N 3.34Å; N6-E8 VanDerWaalsContact C-N 3.29Å; N6-E8 PolarHBondContact O-N 2.89Å; N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 VanDerWaalsContact O-N 3.15Å; N6-I10 HydrophobicContact CB-CD1 4.05Å; N6-I10 HydrophobicContact CB-CG1 4.4Å; N6-I10 WeakPolarHBondContact O-CG1 3.19Å; N6-I10 PolarHBondContact O-N 3.15Å
7F97Very high94.3Very high44 Ų4475.6 Ų75.619%0.19340%0.404CS..Hα-helixtrans-52.8-40.6-172.567.9-83.6000113.8N4 G11 C79 P81 V87N4-F7 WeakPolarHBondContact O-CB 3.45Å; N4-F7 VanDerWaalsContact O-CD1 3.23Å; N4-F7 WeakPolarHBondContact O-CD1 3.15Å; N4-F7 PolarHBondContact O-N 3.31Å; F7-G11 PolarHBondContact O-N 3.44Å; F7-C79 HydrophobicContact CD2-CB 3.83Å; F7-C79 HydrophobicContact CE2-CB 4.29Å; F7-C79 VanDerWaalsContact CE2-O 3.3Å; F7-C79 WeakPolarHBondContact CE2-O 3.18Å; F7-P81 HydrophobicContact CB-CB 3.98Å; F7-P81 HydrophobicContact CD1-CB 3.86Å; F7-P81 HydrophobicContact CD1-CG 3.85Å; F7-P81 HydrophobicContact CD2-CB 4.47Å; F7-P81 HydrophobicContact CD2-CG 4.41Å; F7-P81 HydrophobicContact CE1-CB 4.49Å; F7-P81 HydrophobicContact CE1-CG 3.98Å; F7-P81 HydrophobicContact CG-CB 3.84Å; F7-P81 HydrophobicContact CG-CG 4.07Å; F7-P81 HydrophobicContact CZ-CG 4.33Å; F7-V87 HydrophobicContact CB-CG1 4.03Å; F7-V87 HydrophobicContact CB-CG2 3.87Å; F7-V87 WeakPolarHBondContact O-CG1 3.23Å
8E97.3Very high94.5Very high112 Ų11271.4 Ų71.452%0.52338%0.381SS..Hα-helixtrans-65.3-46.7179-62.4-169.4112.500112.2N6 I10 G11 Q12 C79N6-E8 VanDerWaalsContact C-N 3.29Å; N6-E8 PolarHBondContact O-N 2.89Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.21Å; E8-G11 PolarHBondContact O-N 2.76Å; E8-Q12 WeakPolarHBondContact O-CB 3.25Å; E8-Q12 VanDerWaalsContact O-CG 3.28Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.43Å; E8-C79 HydrophobicContact CG-CB 4.39Å
9S97.3Very high94.6Very high81 Ų8168.2 Ų68.257%0.56636%0.364SS*.Hα-helixtrans-64.7-41.4179.7-179.90000111.2N6 A13N6-S9 PolarHBondContact O-N 2.93Å; N6-S9 VanDerWaalsContact O-N 3.15Å; S9-A13 VanDerWaalsContact O-CB 3.28Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.36Å
10I96.7Very high94.7Very high37 Ų3773.6 Ų73.619%0.1938%0.379CS..Hα-helixtrans-61.6-50.1175.9-67.7165.5000110.3N4 N6 E8 A13 F14 V87 L111 F120N4-I10 WeakPolarHBondContact ND2-CD1 3.39Å; N6-I10 HydrophobicContact CB-CD1 4.05Å; N6-I10 HydrophobicContact CB-CG1 4.4Å; N6-I10 WeakPolarHBondContact O-CG1 3.19Å; N6-I10 PolarHBondContact O-N 3.15Å; E8-I10 VanDerWaalsContact C-N 3.34Å; E8-I10 PolarHBondContact O-N 3.21Å; I10-A13 PolarHBondContact O-N 3.44Å; I10-F14 VanDerWaalsContact O-CB 3.23Å; I10-F14 WeakPolarHBondContact O-CB 3.48Å; I10-F14 PolarHBondContact O-N 3.25Å; I10-V87 HydrophobicContact CG2-CG2 4.25Å; I10-L111 HydrophobicContact CG2-CD1 4.21Å; I10-F120 HydrophobicContact CD1-CE2 3.95Å; I10-F120 HydrophobicContact CD1-CZ 3.92Å; I10-F120 HydrophobicContact CG2-CD2 4.25Å; I10-F120 HydrophobicContact CG2-CE2 4.16Å; I10-F120 HydrophobicContact CG2-CZ 4.41Å
11G97.8Very high94.7Very high0 Ų071.9 Ų71.90%037%0.369CS..Hα-helixtrans-62.1-46.2-179.200000112.6F7 E8 F14 V15F7-G11 PolarHBondContact O-N 3.44Å; E8-G11 PolarHBondContact O-N 2.76Å; G11-F14 PolarHBondContact O-N 2.84Å; G11-V15 VanDerWaalsContact O-CG2 3.27Å; G11-V15 WeakPolarHBondContact O-CG2 3.49Å; G11-V15 PolarHBondContact O-N 3.37Å
12Q97.3Very high95.9Very high98 Ų9863 Ų6346%0.45833%0.326SS..Hα-helixtrans-62.3-45.6177.6-71.9176.5-0.100112.5E8 V15 Q16 V77E8-Q12 WeakPolarHBondContact O-CB 3.25Å; E8-Q12 VanDerWaalsContact O-CG 3.28Å; E8-Q12 WeakPolarHBondContact O-CG 3.39Å; E8-Q12 PolarHBondContact O-N 3.43Å; Q12-V15 PolarHBondContact O-N 2.91Å; Q12-Q16 PolarHBondContact O-N 3.23Å; Q12-V77 HydrophobicContact CG-CG1 4.45Å
13A97.4Very high96.3Very high55 Ų5562 Ų6246%0.45531%0.311SS..Hα-helixtrans-64.8-41.7177.600000111.7S9 I10 V15 Q16 H17S9-A13 VanDerWaalsContact O-CB 3.28Å; S9-A13 WeakPolarHBondContact O-CB 3.42Å; S9-A13 PolarHBondContact O-N 3.36Å; I10-A13 PolarHBondContact O-N 3.44Å; A13-V15 PolarHBondContact O-N 3.49Å; A13-Q16 PolarHBondContact O-N 3.03Å; A13-H17 WeakPolarHBondContact O-CB 3.37Å; A13-H17 PolarHBondContact O-N 3.43Å
14F97.7Very high96.3Very high24 Ų2457.9 Ų57.911%0.10530%0.299CS..Hα-helixtrans-58-47.9175.7168-93.5000111.4I10 G11 Q16 H17 Y18 L37 F109 L111 I122I10-F14 VanDerWaalsContact O-CB 3.23Å; I10-F14 WeakPolarHBondContact O-CB 3.48Å; I10-F14 PolarHBondContact O-N 3.25Å; G11-F14 PolarHBondContact O-N 2.84Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; F14-Q16 PolarHBondContact O-N 2.91Å; F14-H17 PolarHBondContact O-N 3.14Å; F14-H17 VanDerWaalsContact O-N 3.11Å; F14-Y18 HydrophobicContact CE1-CD2 4.47Å; F14-Y18 HydrophobicContact CE1-CG 4.46Å; F14-Y18 HydrophobicContact CE2-CD2 4.39Å; F14-Y18 AromaticContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CG 4.15Å; F14-Y18 WeakPolarHBondContact O-CB 3.46Å; F14-Y18 PolarHBondContact O-N 3.33Å; F14-L37 HydrophobicContact CE2-CD1 4.12Å; F14-F109 HydrophobicContact CE1-CB 4.18Å; F14-F109 AromaticContact CE1-CD1 3.83Å; F14-F109 HydrophobicContact CE1-CD1 3.83Å; F14-F109 AromaticContact CE1-CD2 3.84Å; F14-F109 HydrophobicContact CE1-CD2 3.84Å; F14-F109 HydrophobicContact CE1-CE1 4.01Å; F14-F109 HydrophobicContact CE1-CE2 4.04Å; F14-F109 AromaticContact CE1-CG 3.69Å; F14-F109 HydrophobicContact CE1-CG 3.69Å; F14-F109 HydrophobicContact CE1-CZ 4.07Å; F14-F109 AromaticContact CZ-CD1 3.96Å; F14-F109 HydrophobicContact CZ-CD1 3.96Å; F14-F109 HydrophobicContact CZ-CE1 4.1Å; F14-F109 HydrophobicContact CZ-CG 4.25Å; F14-L111 HydrophobicContact CB-CD1 3.65Å; F14-L111 HydrophobicContact CD1-CD1 3.82Å; F14-L111 HydrophobicContact CD1-CD2 3.82Å; F14-L111 HydrophobicContact CD1-CG 4.34Å; F14-L111 HydrophobicContact CD2-CD1 3.96Å; F14-L111 HydrophobicContact CD2-CD2 3.67Å; F14-L111 HydrophobicContact CD2-CG 4.48Å; F14-L111 HydrophobicContact CE1-CD2 3.7Å; F14-L111 HydrophobicContact CE2-CD2 3.52Å; F14-L111 HydrophobicContact CG-CD1 3.5Å; F14-L111 HydrophobicContact CG-CD2 3.82Å; F14-L111 HydrophobicContact CG-CG 4.29Å; F14-L111 HydrophobicContact CZ-CD2 3.55Å; F14-I122 HydrophobicContact CE2-CD1 3.93Å; F14-I122 HydrophobicContact CE2-CG1 3.78Å; F14-I122 HydrophobicContact CZ-CD1 3.58Å; F14-I122 HydrophobicContact CZ-CG1 3.61Å
15V98Very high96.3Very high2 Ų261 Ų611%0.01232%0.319CS..Hα-helixtrans-59.2-44.4-178.4170.10000111.5G11 Q12 A13 H17 Y19 I74 V77 V89 V91G11-V15 VanDerWaalsContact O-CG2 3.27Å; G11-V15 WeakPolarHBondContact O-CG2 3.49Å; G11-V15 PolarHBondContact O-N 3.37Å; Q12-V15 PolarHBondContact O-N 2.91Å; A13-V15 PolarHBondContact O-N 3.49Å; V15-H17 VanDerWaalsContact C-N 3.34Å; V15-H17 PolarHBondContact O-N 3.48Å; V15-Y19 HydrophobicContact CG1-CD2 3.7Å; V15-Y19 HydrophobicContact CG1-CE2 3.47Å; V15-Y19 VanDerWaalsContact CG1-CE2 3.47Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.39Å; V15-Y19 PolarHBondContact O-N 3.49Å; V15-Y19 VanDerWaalsContact O-N 3.15Å; V15-I74 HydrophobicContact CG1-CD1 3.85Å; V15-V77 HydrophobicContact CG1-CG2 4.2Å; V15-V77 HydrophobicContact CG2-CG1 4.1Å; V15-V89 HydrophobicContact CG2-CG1 3.65Å; V15-V91 HydrophobicContact CB-CG2 4.45Å; V15-V91 HydrophobicContact CG1-CG1 4.46Å; V15-V91 HydrophobicContact CG1-CG2 3.99Å; V15-V91 HydrophobicContact CG2-CG2 3.51Å
16Q96.4Very high96.2Very high126 Ų12659.6 Ų59.659%0.58931%0.306SS*.Hα-helixtrans-63.9-40.7176.5-66.9-179.77.200112.1Q12 A13 F14 R20Q12-Q16 PolarHBondContact O-N 3.23Å; A13-Q16 PolarHBondContact O-N 3.03Å; F14-Q16 VanDerWaalsContact C-N 3.33Å; F14-Q16 PolarHBondContact O-N 2.91Å; Q16-R20 WeakPolarHBondContact O-CB 3.44Å; Q16-R20 PolarHBondContact O-N 3.11Å
17H96.7Very high96.2Very high81 Ų8155.3 Ų55.338%0.37529%0.286SS..Hα-helixtrans-67.6-48.3179.2-179.954.5000111.9A13 F14 V15 R20 M21A13-H17 WeakPolarHBondContact O-CB 3.37Å; A13-H17 PolarHBondContact O-N 3.43Å; F14-H17 PolarHBondContact O-N 3.14Å; F14-H17 VanDerWaalsContact O-N 3.11Å; V15-H17 VanDerWaalsContact C-N 3.34Å; V15-H17 PolarHBondContact O-N 3.48Å; H17-R20 PolarHBondContact O-N 2.93Å; H17-M21 PolarHBondContact CE1-SD 3.2Å; H17-M21 WeakPolarHBondContact NE2-CE 3.29Å; H17-M21 WeakPolarHBondContact O-CG 3.31Å; H17-M21 PolarHBondContact O-N 3.16Å
18Y97.9Very high96Very high0 Ų057.6 Ų57.60%030%0.304CS..Hα-helixtrans-56.5-54.6179.3179.2-84000111F14 R20 M21 F22 L37 Y38 H107 F109 I122 E125F14-Y18 HydrophobicContact CE1-CD2 4.47Å; F14-Y18 HydrophobicContact CE1-CG 4.46Å; F14-Y18 HydrophobicContact CE2-CD2 4.39Å; F14-Y18 AromaticContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CD2 3.77Å; F14-Y18 HydrophobicContact CZ-CG 4.15Å; F14-Y18 WeakPolarHBondContact O-CB 3.46Å; F14-Y18 PolarHBondContact O-N 3.33Å; Y18-R20 VanDerWaalsContact C-N 3.31Å; Y18-R20 PolarHBondContact O-N 2.84Å; Y18-M21 PolarHBondContact O-N 3.45Å; Y18-M21 VanDerWaalsContact O-N 3.08Å; Y18-F22 HydrophobicContact CD1-CB 4.29Å; Y18-F22 HydrophobicContact CE1-CB 3.93Å; Y18-F22 AromaticContact CE1-CD2 3.96Å; Y18-F22 HydrophobicContact CE1-CD2 3.96Å; Y18-F22 HydrophobicContact CE1-CG 4.01Å; Y18-F22 AromaticContact CZ-CD2 3.8Å; Y18-F22 WeakPolarHBondContact O-CB 3.37Å; Y18-F22 PolarHBondContact O-N 2.94Å; Y18-F22 WeakPolarHBondContact OH-CD2 3.38Å; Y18-L37 HydrophobicContact CD2-CD1 3.7Å; Y18-L37 HydrophobicContact CE2-CD1 4.47Å; Y18-Y38 WeakPolarHBondContact CE2-OH 3.47Å; Y18-Y38 PolarHBondContact OH-OH 3.33Å; Y18-H107 AromaticContact CE1-CE1 3.8Å; Y18-F109 HydrophobicContact CD1-CE1 4.47Å; Y18-F109 AromaticContact CD1-CZ 3.97Å; Y18-F109 HydrophobicContact CD1-CZ 3.97Å; Y18-F109 HydrophobicContact CD2-CE1 4.08Å; Y18-F109 HydrophobicContact CD2-CZ 4.32Å; Y18-F109 HydrophobicContact CE1-CE1 4.28Å; Y18-F109 AromaticContact CE1-CZ 3.96Å; Y18-F109 HydrophobicContact CE1-CZ 3.96Å; Y18-F109 AromaticContact CE2-CE1 3.82Å; Y18-F109 HydrophobicContact CE2-CE1 3.82Å; Y18-F109 HydrophobicContact CE2-CZ 4.27Å; Y18-F109 HydrophobicContact CG-CE1 4.4Å; Y18-F109 HydrophobicContact CG-CZ 4.17Å; Y18-F109 AromaticContact CZ-CE1 3.93Å; Y18-I122 HydrophobicContact CD2-CD1 3.88Å; Y18-I122 HydrophobicContact CE2-CD1 3.8Å; Y18-E125 PolarHBondContact OH-OE1 3.2Å
19Y96.9Very high95.9Very high11 Ų1155.7 Ų55.74%0.04330%0.3CS..Hα-helixtrans-65.7-33.9-177.4-68.9-45.2000112.7V15 M21 F22 D23 I74 V91 Y105 H107V15-Y19 HydrophobicContact CG1-CD2 3.7Å; V15-Y19 HydrophobicContact CG1-CE2 3.47Å; V15-Y19 VanDerWaalsContact CG1-CE2 3.47Å; V15-Y19 VanDerWaalsContact O-CD2 3.26Å; V15-Y19 WeakPolarHBondContact O-CD2 3.39Å; V15-Y19 PolarHBondContact O-N 3.49Å; V15-Y19 VanDerWaalsContact O-N 3.15Å; Y19-M21 PolarHBondContact O-N 3.01Å; Y19-F22 PolarHBondContact O-N 2.88Å; Y19-D23 WeakPolarHBondContact O-CB 3.21Å; Y19-D23 VanDerWaalsContact O-CG 3.28Å; Y19-D23 PolarHBondContact O-N 2.76Å; Y19-I74 HydrophobicContact CD2-CD1 3.77Å; Y19-I74 HydrophobicContact CD2-CG1 4.41Å; Y19-I74 HydrophobicContact CE2-CD1 3.91Å; Y19-I74 HydrophobicContact CE2-CG1 4.24Å; Y19-V91 HydrophobicContact CE2-CG1 4.11Å; Y19-Y105 WeakPolarHBondContact OH-CE2 3.11Å; Y19-Y105 PolarHBondContact OH-OH 2.87Å; Y19-H107 AromaticContact CE1-ND1 3.72Å; Y19-H107 AromaticContact CZ-ND1 3.82Å; Y19-H107 WeakPolarHBondContact OH-CB 3.35Å; Y19-H107 PolarHBondContact OH-ND1 2.88Å; Y19-H107 VanDerWaalsContact OH-ND1 3.07Å
20R94.9Very high95.8Very high176 Ų17651.9 Ų51.966%0.66427%0.273SS*.Hα-helixtrans-59.1-37173.5-174.5-175.4-59.6147.25.6112.5Q16 H17 Y18Q16-R20 WeakPolarHBondContact O-CB 3.44Å; Q16-R20 PolarHBondContact O-N 3.11Å; H17-R20 PolarHBondContact O-N 2.93Å; Y18-R20 VanDerWaalsContact C-N 3.31Å; Y18-R20 PolarHBondContact O-N 2.84Å
21M95.4Very high95.8Very high38 Ų3850.8 Ų50.819%0.18727%0.269CS..Hα-helixtrans-83.1-33.7179.7-63.2-171.2-58.200112.4H17 Y18 Y19 V34 L37H17-M21 PolarHBondContact CE1-SD 3.2Å; H17-M21 WeakPolarHBondContact NE2-CE 3.29Å; H17-M21 WeakPolarHBondContact O-CG 3.31Å; H17-M21 PolarHBondContact O-N 3.16Å; Y18-M21 PolarHBondContact O-N 3.45Å; Y18-M21 VanDerWaalsContact O-N 3.08Å; Y19-M21 PolarHBondContact O-N 3.01Å; M21-V34 HydrophobicContact CB-CG1 3.97Å; M21-L37 HydrophobicContact CE-CD1 3.4Å; M21-L37 HydrophobicContact CE-CD2 4.15Å; M21-L37 HydrophobicContact CE-CG 3.85Å
22F96.2Very high95.6Very high4 Ų455.1 Ų55.12%0.01830%0.295CS..Hα-helixtrans-79.8-38.2-176.7-166.7-83.2000113.1Y18 Y19 V24 R30 V34 Y62 L65 F67Y18-F22 HydrophobicContact CD1-CB 4.29Å; Y18-F22 HydrophobicContact CE1-CB 3.93Å; Y18-F22 AromaticContact CE1-CD2 3.96Å; Y18-F22 HydrophobicContact CE1-CD2 3.96Å; Y18-F22 HydrophobicContact CE1-CG 4.01Å; Y18-F22 AromaticContact CZ-CD2 3.8Å; Y18-F22 WeakPolarHBondContact O-CB 3.37Å; Y18-F22 PolarHBondContact O-N 2.94Å; Y18-F22 WeakPolarHBondContact OH-CD2 3.38Å; Y19-F22 PolarHBondContact O-N 2.88Å; F22-V24 PolarHBondContact O-N 2.76Å; F22-R30 HydrophobicContact CD1-CG 4.45Å; F22-R30 HydrophobicContact CD2-CG 4Å; F22-R30 HydrophobicContact CE2-CG 4.24Å; F22-R30 HydrophobicContact CG-CG 4.13Å; F22-R30 WeakPolarHBondContact O-CD 3.44Å; F22-R30 WeakPolarHBondContact O-CG 3.34Å; F22-R30 PolarHBondContact O-NE 3.4Å; F22-R30 VanDerWaalsContact O-NE 3.16Å; F22-V34 HydrophobicContact CB-CG1 4.25Å; F22-V34 HydrophobicContact CD2-CG1 4.24Å; F22-Y62 HydrophobicContact CD2-CD2 4.48Å; F22-Y62 AromaticContact CE2-CD1 3.86Å; F22-Y62 HydrophobicContact CE2-CD1 3.86Å; F22-Y62 AromaticContact CE2-CD2 3.83Å; F22-Y62 HydrophobicContact CE2-CD2 3.83Å; F22-Y62 HydrophobicContact CE2-CE1 4.06Å; F22-Y62 HydrophobicContact CE2-CE2 4.01Å; F22-Y62 AromaticContact CE2-CG 3.75Å; F22-Y62 HydrophobicContact CE2-CG 3.75Å; F22-Y62 HydrophobicContact CZ-CD1 4.18Å; F22-Y62 HydrophobicContact CZ-CE1 4.45Å; F22-Y62 HydrophobicContact CZ-CG 4.4Å; F22-L65 HydrophobicContact CE1-CD1 4.22Å; F22-L65 HydrophobicContact CZ-CD1 3.59Å; F22-F67 HydrophobicContact CD1-CZ 4.24Å; F22-F67 HydrophobicContact CE1-CE1 4.08Å; F22-F67 AromaticContact CE1-CZ 3.73Å; F22-F67 HydrophobicContact CE1-CZ 3.73Å
23D94.7Very high95.5Very high45 Ų4552 Ų5224%0.24129%0.289CS..SBendtrans-82.745.8-171-66.4-9.6000112.5Y19 I70 R72Y19-D23 WeakPolarHBondContact O-CB 3.21Å; Y19-D23 VanDerWaalsContact O-CG 3.28Å; Y19-D23 PolarHBondContact O-N 2.76Å; D23-I70 VanDerWaalsContact CA-CG2 3.48Å; D23-I70 HydrophobicContact CB-CG2 3.46Å; D23-I70 VanDerWaalsContact CB-CG2 3.46Å; D23-I70 WeakPolarHBondContact OD1-CG2 3.38Å; D23-R72 IonicContact OD1-CZ 2.84Å; D23-R72 VanDerWaalsContact OD1-CZ 3.3Å; D23-R72 IonicContact OD1-NE 2.97Å; D23-R72 PolarHBondContact OD1-NE 3Å; D23-R72 IonicContact OD1-NH2 2.9Å; D23-R72 PolarHBondContact OD1-NH2 2.62Å; D23-R72 WeakPolarHBondContact OD2-CD 3.45Å; D23-R72 WeakPolarHBondContact OD2-CG 3.39Å; D23-R72 IonicContact OD2-CZ 2.81Å; D23-R72 IonicContact OD2-NE 3.3Å; D23-R72 PolarHBondContact OD2-NE 2.93Å
24V94.3Very high95.5Very high39 Ų3949.4 Ų49.424%0.23627%0.268CS..  trans-102.7156.7174.7-60.60000110.7F22 T29 R30F22-V24 PolarHBondContact O-N 2.76Å; V24-T29 HydrophobicContact CG2-CG2 4.13Å; V24-R30 VanDerWaalsContact CG2-CA 3.49Å; V24-R30 HydrophobicContact CG2-CB 3.63Å; V24-R30 PolarHBondContact O-NH2 3.37Å
25T92.6Very high95.4Very high98 Ų9848.9 Ų48.960%0.60127%0.268SS*.SBendtrans-69.2-38.8-176.3-67.10000113.8K68T25-K68 WeakPolarHBondContact CA-O 3.45Å; T25-K68 WeakPolarHBondContact CB-O 3.4Å; T25-K68 HydrophobicContact CG2-CB 4.41Å; T25-K68 WeakPolarHBondContact CG2-O 3.41Å; T25-K68 PolarHBondContact OG1-O 2.89Å
26D93.5Very high95.3Very high78 Ų7855.5 Ų55.542%0.41730%0.303SS..  trans-91.7127.8-174.1175.161.1000111.8T28 T29 R30D26-T28 VanDerWaalsContact C-N 3.35Å; D26-T28 PolarHBondContact O-N 2.9Å; D26-T28 WeakPolarHBondContact OD2-CB 3.01Å; D26-T28 PolarHBondContact OD2-N 2.91Å; D26-T29 PolarHBondContact O-N 3.42Å; D26-T29 WeakPolarHBondContact OD2-CB 3.23Å; D26-T29 PolarHBondContact OD2-N 3.24Å; D26-T29 PolarHBondContact OD2-OG1 2.82Å; D26-R30 WeakPolarHBondContact O-CB 3.28Å; D26-R30 PolarHBondContact O-N 3.01Å
27G93.5Very high95.3Very high13 Ų1350.5 Ų50.513%0.13428%0.281CS..Hα-helixtrans-65-36.1-177.800000113.2S31 S63G27-S31 WeakPolarHBondContact O-CB 3.28Å; G27-S31 PolarHBondContact O-N 3.47Å; G27-S63 WeakPolarHBondContact O-CA 3.24Å
28T94.1Very high95.4Very high92 Ų9247 Ų4756%0.56426%0.264SS*.Hα-helixtrans-65.6-47.5175.7-610000110.5D26 R30 S31 T32D26-T28 VanDerWaalsContact C-N 3.35Å; D26-T28 PolarHBondContact O-N 2.9Å; D26-T28 WeakPolarHBondContact OD2-CB 3.01Å; D26-T28 PolarHBondContact OD2-N 2.91Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.4Å; T28-S31 WeakPolarHBondContact O-CB 3.21Å; T28-S31 PolarHBondContact O-N 2.79Å; T28-T32 WeakPolarHBondContact O-CG2 3.46Å; T28-T32 PolarHBondContact O-N 3.36Å; T28-T32 PolarHBondContact O-OG1 2.88Å; T28-T32 VanDerWaalsContact O-OG1 3.14Å
29T94.9Very high95.3Very high72 Ų7249.2 Ų49.244%0.44228%0.276SS..Hα-helixtrans-59-45.1177.3-56.80000111.3V24 D26 S31 T32 G33V24-T29 HydrophobicContact CG2-CG2 4.13Å; D26-T29 PolarHBondContact O-N 3.42Å; D26-T29 WeakPolarHBondContact OD2-CB 3.23Å; D26-T29 PolarHBondContact OD2-N 3.24Å; D26-T29 PolarHBondContact OD2-OG1 2.82Å; T29-S31 PolarHBondContact O-N 3.17Å; T29-T32 WeakPolarHBondContact CA-OG1 3.46Å; T29-T32 PolarHBondContact O-N 3.28Å; T29-T32 PolarHBondContact O-OG1 3.32Å; T29-G33 PolarHBondContact O-N 2.89Å
30R95.5Very high95.3Very high0 Ų052.7 Ų52.70%030%0.3CS..Hα-helixtrans-54.5-53.3174.7179.3-178-46.6120.76.2111.5F22 V24 D26 T28 T32 G33 V34 Y62 F67F22-R30 HydrophobicContact CD1-CG 4.45Å; F22-R30 HydrophobicContact CD2-CG 4Å; F22-R30 HydrophobicContact CE2-CG 4.24Å; F22-R30 HydrophobicContact CG-CG 4.13Å; F22-R30 WeakPolarHBondContact O-CD 3.44Å; F22-R30 WeakPolarHBondContact O-CG 3.34Å; F22-R30 PolarHBondContact O-NE 3.4Å; F22-R30 VanDerWaalsContact O-NE 3.16Å; V24-R30 VanDerWaalsContact CG2-CA 3.49Å; V24-R30 HydrophobicContact CG2-CB 3.63Å; V24-R30 PolarHBondContact O-NH2 3.37Å; D26-R30 WeakPolarHBondContact O-CB 3.28Å; D26-R30 PolarHBondContact O-N 3.01Å; T28-R30 VanDerWaalsContact C-N 3.34Å; T28-R30 PolarHBondContact O-N 3.4Å; R30-T32 PolarHBondContact O-N 3.49Å; R30-G33 PolarHBondContact O-N 2.9Å; R30-V34 WeakPolarHBondContact O-CG2 3.41Å; R30-V34 PolarHBondContact O-N 3.39Å; R30-Y62 PolarHBondContact NH1-O 3.05Å; R30-Y62 VanDerWaalsContact NH1-O 3.11Å; R30-F67 VanDerWaalsContact CZ-CE2 3.45Å; R30-F67 PolarHBondContact NH2-O 3.17Å
31S95.4Very high95.3Very high14 Ų1450.5 Ų50.510%0.09830%0.3CS..Hα-helixtrans-59.2-47.9-179.1-173.90000111.4G27 T28 T29 G33 A35 L59G27-S31 WeakPolarHBondContact O-CB 3.28Å; G27-S31 PolarHBondContact O-N 3.47Å; T28-S31 WeakPolarHBondContact O-CB 3.21Å; T28-S31 PolarHBondContact O-N 2.79Å; T29-S31 PolarHBondContact O-N 3.17Å; S31-G33 PolarHBondContact O-N 2.81Å; S31-A35 PolarHBondContact O-N 3.32Å; S31-L59 WeakPolarHBondContact O-CD2 3.4Å; S31-L59 WeakPolarHBondContact OG-CA 3.06Å; S31-L59 VanDerWaalsContact OG-CB 3.28Å; S31-L59 WeakPolarHBondContact OG-CB 3.35Å; S31-L59 PolarHBondContact OG-O 3.42Å
32T95.4Very high95.4Very high92 Ų9253.2 Ų53.256%0.56431%0.313SS*.Hα-helixtrans-66-35.8177.554.50000113.2T28 T29 R30 V34 A35T28-T32 WeakPolarHBondContact O-CG2 3.46Å; T28-T32 PolarHBondContact O-N 3.36Å; T28-T32 PolarHBondContact O-OG1 2.88Å; T28-T32 VanDerWaalsContact O-OG1 3.14Å; T29-T32 WeakPolarHBondContact CA-OG1 3.46Å; T29-T32 PolarHBondContact O-N 3.28Å; T29-T32 PolarHBondContact O-OG1 3.32Å; R30-T32 PolarHBondContact O-N 3.49Å; T32-V34 PolarHBondContact O-N 3.22Å; T32-A35 VanDerWaalsContact O-CB 3.28Å; T32-A35 WeakPolarHBondContact O-CB 3.46Å; T32-A35 PolarHBondContact O-N 3.08Å
33G94.6Very high95.5Very high32 Ų3253 Ų5333%0.3331%0.312SS..Hα-helixtrans-68.9-33.9-176.200000113.3T29 R30 S31T29-G33 PolarHBondContact O-N 2.89Å; R30-G33 PolarHBondContact O-N 2.9Å; S31-G33 PolarHBondContact O-N 2.81Å
34V96.9Very high95.6Very high0 Ų055.9 Ų55.90%032%0.32CS..Hα-helixtrans-94.4-2.1178-56.60000113.4M21 F22 R30 T32 D36 L37 Y38 L59 Y62M21-V34 HydrophobicContact CB-CG1 3.97Å; F22-V34 HydrophobicContact CB-CG1 4.25Å; F22-V34 HydrophobicContact CD2-CG1 4.24Å; R30-V34 WeakPolarHBondContact O-CG2 3.41Å; R30-V34 PolarHBondContact O-N 3.39Å; T32-V34 PolarHBondContact O-N 3.22Å; V34-D36 VanDerWaalsContact C-N 3.27Å; V34-D36 PolarHBondContact O-N 3.3Å; V34-L37 HydrophobicContact CB-CD1 4.45Å; V34-L37 WeakPolarHBondContact O-CB 3.33Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-Y38 HydrophobicContact CB-CE2 4.03Å; V34-Y38 HydrophobicContact CG2-CD2 4.46Å; V34-Y38 HydrophobicContact CG2-CE2 3.84Å; V34-Y38 VanDerWaalsContact O-CD2 3.25Å; V34-Y38 WeakPolarHBondContact O-CD2 3.39Å; V34-L59 HydrophobicContact CG2-CD2 3.98Å; V34-Y62 HydrophobicContact CG2-CD2 3.9Å; V34-Y62 HydrophobicContact CG2-CE2 4.34Å
35A96.9Very high95.8Very high13 Ų1354.1 Ų54.111%0.10731%0.309CS..G310 helixtrans-54.1-39.8-173.100000113.7S31 T32 L37 Y38 K55 L59S31-A35 PolarHBondContact O-N 3.32Å; T32-A35 VanDerWaalsContact O-CB 3.28Å; T32-A35 WeakPolarHBondContact O-CB 3.46Å; T32-A35 PolarHBondContact O-N 3.08Å; A35-L37 PolarHBondContact O-N 3.24Å; A35-Y38 PolarHBondContact O-N 3.35Å; A35-K55 VanDerWaalsContact C-NZ 3.34Å; A35-K55 WeakPolarHBondContact O-CD 3.34Å; A35-K55 WeakPolarHBondContact O-CE 3.3Å; A35-K55 PolarHBondContact O-NZ 2.97Å; A35-L59 HydrophobicContact CB-CD1 3.65Å; A35-L59 HydrophobicContact CB-CD2 4.42Å
36D95.3Very high96.1Very high142 Ų14251 Ų5176%0.75929%0.29SS*.G310 helixtrans-80.3-5.7-176.4-65.3-20.2000113.5V34 Y38 K55V34-D36 VanDerWaalsContact C-N 3.27Å; V34-D36 PolarHBondContact O-N 3.3Å; D36-Y38 VanDerWaalsContact C-N 3.35Å; D36-K55 IonicContact OD1-NZ 3.55Å
37L97Very high96.3Very high21 Ų2148.2 Ų48.211%0.1128%0.275CS..G310 helixtrans-83.7-10.6173.6-57-174.7000113.1F14 Y18 M21 V34 A35 F121 I122F14-L37 HydrophobicContact CE2-CD1 4.12Å; Y18-L37 HydrophobicContact CD2-CD1 3.7Å; Y18-L37 HydrophobicContact CE2-CD1 4.47Å; M21-L37 HydrophobicContact CE-CD1 3.4Å; M21-L37 HydrophobicContact CE-CD2 4.15Å; M21-L37 HydrophobicContact CE-CG 3.85Å; V34-L37 HydrophobicContact CB-CD1 4.45Å; V34-L37 WeakPolarHBondContact O-CB 3.33Å; V34-L37 PolarHBondContact O-N 3.36Å; A35-L37 PolarHBondContact O-N 3.24Å; L37-F121 CarbonylContact O-C 3.46Å; L37-F121 WeakPolarHBondContact O-CA 3.21Å; L37-I122 HydrophobicContact CB-CD1 3.73Å; L37-I122 HydrophobicContact CB-CG1 4.24Å; L37-I122 HydrophobicContact CD1-CD1 4.18Å; L37-I122 PolarHBondContact O-N 2.86Å
38Y97.6Very high96.3Very high7 Ų751.5 Ų51.53%0.02729%0.286CS..BIsolated β-bridgetrans-114.6138.6-176.8-62.6-80.9000111.9Y18 V34 A35 D36 V45 I58 Y62 I122 E125Y18-Y38 WeakPolarHBondContact CE2-OH 3.47Å; Y18-Y38 PolarHBondContact OH-OH 3.33Å; V34-Y38 HydrophobicContact CB-CE2 4.03Å; V34-Y38 HydrophobicContact CG2-CD2 4.46Å; V34-Y38 HydrophobicContact CG2-CE2 3.84Å; V34-Y38 VanDerWaalsContact O-CD2 3.25Å; V34-Y38 WeakPolarHBondContact O-CD2 3.39Å; A35-Y38 PolarHBondContact O-N 3.35Å; D36-Y38 VanDerWaalsContact C-N 3.35Å; Y38-V45 HydrophobicContact CE1-CG2 4.03Å; Y38-I58 HydrophobicContact CD1-CD1 3.73Å; Y38-I58 HydrophobicContact CD1-CG2 4.15Å; Y38-I58 HydrophobicContact CD2-CG2 4.25Å; Y38-I58 HydrophobicContact CE1-CD1 4.22Å; Y38-I58 HydrophobicContact CE1-CG2 3.96Å; Y38-I58 HydrophobicContact CE2-CG2 4.09Å; Y38-I58 HydrophobicContact CG-CD1 4.28Å; Y38-I58 HydrophobicContact CG-CG2 4.28Å; Y38-Y62 AromaticContact CE2-CE2 3.94Å; Y38-Y62 HydrophobicContact CE2-CE2 3.94Å; Y38-Y62 AromaticContact CZ-CE2 3.77Å; Y38-Y62 VanDerWaalsContact OH-CE2 3.3Å; Y38-Y62 WeakPolarHBondContact OH-CE2 3.38Å; Y38-Y62 PolarHBondContact OH-OH 3.24Å; Y38-I122 HydrophobicContact CD1-CB 4.02Å; Y38-I122 HydrophobicContact CD1-CD1 4.35Å; Y38-I122 HydrophobicContact CD1-CG2 4.36Å; Y38-I122 HydrophobicContact CE1-CB 3.86Å; Y38-I122 HydrophobicContact CE1-CD1 3.7Å; Y38-I122 HydrophobicContact CE1-CG1 4.41Å; Y38-I122 HydrophobicContact CE1-CG2 3.87Å; Y38-I122 HydrophobicContact CE2-CD1 4.13Å; Y38-E125 WeakPolarHBondContact CE1-OE2 3.18Å; Y38-E125 VanDerWaalsContact CZ-OE2 3.22Å; Y38-E125 PolarHBondContact OH-OE1 2.84Å; Y38-E125 PolarHBondContact OH-OE2 2.85Å
39D96.7Very high96.3Very high47 Ų4750 Ų5025%0.25129%0.288SS..  trans-77.3143.1171.6-175.2-89.7000110.6L41 E42 S43 K55 F121D39-L41 PolarHBondContact O-N 3.1Å; D39-L41 PolarHBondContact OD1-N 3.32Å; D39-E42 HydrophobicContact CB-CB 4.2Å; D39-E42 PolarHBondContact OD1-N 2.79Å; D39-S43 PolarHBondContact N-OG 3.36Å; D39-K55 PolarHBondContact O-N 3.42Å; D39-F121 HydrophobicContact CB-CD2 3.62Å; D39-F121 HydrophobicContact CB-CE2 3.67Å; D39-F121 HydrophobicContact CB-CG 4.29Å; D39-F121 HydrophobicContact CB-CZ 4.39Å
40P95.9Very high96.4Very high84 Ų8448.6 Ų48.655%0.54529%0.285SS..THydrogen-bonded Turntrans-54.3-33.4177.6-28.536.9000114.8G54 K55P40-G54 WeakPolarHBondContact O-CA 3.36Å; P40-K55 PolarHBondContact O-N 3.42Å
41L95.8Very high96.4Very high129 Ų12956.6 Ų56.668%0.67532%0.322SS*.THydrogen-bonded Turntrans-126.2-32.6-171-60.3179.1000114.2D39 K53D39-L41 PolarHBondContact O-N 3.1Å; D39-L41 PolarHBondContact OD1-N 3.32Å; L41-K53 WeakPolarHBondContact O-CE 3.44Å
42E95.9Very high96.5Very high95 Ų9557.2 Ų57.244%0.44432%0.324SS..THydrogen-bonded Turntrans-95.82.7-170.8-61.6-152.4139.700114.5D39 Y44 K112 F121D39-E42 HydrophobicContact CB-CB 4.2Å; D39-E42 PolarHBondContact OD1-N 2.79Å; E42-Y44 WeakPolarHBondContact O-CD2 3.13Å; E42-K112 IonicContact OE2-NZ 2.82Å; E42-K112 PolarHBondContact OE2-NZ 3.44Å; E42-F121 HydrophobicContact CB-CE2 4.21Å; E42-F121 HydrophobicContact CB-CZ 4.47Å
43S98.2Very high96.6Very high0 Ų058.5 Ų58.50%032%0.321CS..  trans-90131.6174.5-68.90000112.5D39 K53 G54 I122 S123D39-S43 PolarHBondContact N-OG 3.36Å; S43-K53 WeakPolarHBondContact O-CA 3.4Å; S43-G54 PolarHBondContact O-N 2.49Å; S43-I122 WeakPolarHBondContact CB-O 3.06Å; S43-I122 PolarHBondContact OG-O 2.85Å; S43-S123 WeakPolarHBondContact CA-O 3.07Å
44Y98.5Very high96.8Very high105 Ų10557.3 Ų57.341%0.41231%0.309SS..EExtended strand (participates in β ladder)trans-124.1129.8176.6-64.8-99.4000109.8E42 K53 S123 N124 E125E42-Y44 WeakPolarHBondContact O-CD2 3.13Å; Y44-K53 HydrophobicContact CD1-CB 4.22Å; Y44-K53 HydrophobicContact CD1-CD 4.36Å; Y44-K53 HydrophobicContact CD1-CG 4.06Å; Y44-K53 HydrophobicContact CE1-CB 4.24Å; Y44-K53 HydrophobicContact CE1-CD 3.57Å; Y44-K53 HydrophobicContact CE1-CG 3.74Å; Y44-K53 WeakPolarHBondContact OH-CE 3.46Å; Y44-K53 PolarHBondContact OH-NZ 3Å; Y44-S123 PolarHBondContact N-O 3.44Å; Y44-N124 CarbonylContact O-C 3.6Å; Y44-N124 VanDerWaalsContact O-CA 3.31Å; Y44-N124 WeakPolarHBondContact O-CA 3.48Å; Y44-E125 PolarHBondContact O-N 3.15Å
45V98.5Very high96.8Very high2 Ų259.9 Ų59.91%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-123.9135.2178.3170.50000109.1Y38 F47 Q51 M52 I58 E125Y38-V45 HydrophobicContact CE1-CG2 4.03Å; V45-F47 HydrophobicContact CG1-CB 4.1Å; V45-Q51 CarbonylContact O-C 3.5Å; V45-Q51 WeakPolarHBondContact O-CA 3.41Å; V45-M52 HydrophobicContact CB-CG 3.61Å; V45-M52 HydrophobicContact CB-SD 4.08Å; V45-M52 HydrophobicContact CG1-CE 4.37Å; V45-M52 HydrophobicContact CG1-CG 4.07Å; V45-M52 HydrophobicContact CG1-SD 3.92Å; V45-M52 PolarHBondContact N-O 3.39Å; V45-M52 PolarHBondContact O-N 3.45Å; V45-I58 HydrophobicContact CB-CD1 4.39Å; V45-I58 HydrophobicContact CB-CG1 4.07Å; V45-I58 HydrophobicContact CG2-CB 4.36Å; V45-I58 HydrophobicContact CG2-CD1 3.52Å; V45-I58 HydrophobicContact CG2-CG1 3.56Å; V45-I58 HydrophobicContact CG2-CG2 3.89Å; V45-E125 CarbonylContact C-O 3.47Å; V45-E125 WeakPolarHBondContact CA-O 3.38Å; V45-E125 HydrophobicContact CG2-CB 3.94Å; V45-E125 HydrophobicContact CG2-CG 4.49Å; V45-E125 WeakPolarHBondContact CG2-OE2 3.44Å
46T98.2Very high96.8Very high32 Ų3267.1 Ų67.120%0.19635%0.352CS..EExtended strand (participates in β ladder)trans-115.5113.2161.3-570000108.1A50 Q51 E125 I126 F127T46-A50 CarbonylContact C-O 3.51Å; T46-A50 WeakPolarHBondContact CA-O 3.37Å; T46-Q51 HydrophobicContact CG2-CG 4.29Å; T46-E125 PolarHBondContact N-O 2.97Å; T46-I126 WeakPolarHBondContact O-CA 3.35Å; T46-F127 PolarHBondContact O-N 2.81Å
47F96.9Very high96.9Very high21 Ų2162.1 Ų62.19%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-118.4111.2-178.4-168.1-78.3000109.3V45 G49 A50 M52 Y62 L65 F127V45-F47 HydrophobicContact CG1-CB 4.1Å; F47-G49 PolarHBondContact O-N 2.89Å; F47-A50 PolarHBondContact N-O 3.23Å; F47-A50 WeakPolarHBondContact O-CB 3.23Å; F47-A50 PolarHBondContact O-N 3.29Å; F47-M52 HydrophobicContact CB-CE 4.27Å; F47-Y62 HydrophobicContact CD2-CE1 4.01Å; F47-Y62 HydrophobicContact CE2-CE1 4.36Å; F47-L65 HydrophobicContact CE1-CD2 3.79Å; F47-L65 HydrophobicContact CE2-CD1 4.34Å; F47-L65 HydrophobicContact CZ-CD1 4.02Å; F47-L65 HydrophobicContact CZ-CD2 3.96Å; F47-F127 HydrophobicContact CD1-CD1 4.3Å; F47-F127 HydrophobicContact CD2-CB 3.77Å; F47-F127 AromaticContact CD2-CD1 3.8Å; F47-F127 HydrophobicContact CD2-CD1 3.8Å; F47-F127 AromaticContact CD2-CG 3.96Å; F47-F127 HydrophobicContact CD2-CG 3.96Å; F47-F127 AromaticContact CE1-CD1 4Å; F47-F127 HydrophobicContact CE1-CD1 4Å; F47-F127 HydrophobicContact CE1-CE1 4.22Å; F47-F127 HydrophobicContact CE2-CB 4.04Å; F47-F127 AromaticContact CE2-CD1 3.46Å; F47-F127 HydrophobicContact CE2-CD1 3.46Å; F47-F127 VanDerWaalsContact CE2-CD1 3.46Å; F47-F127 HydrophobicContact CE2-CE1 4.04Å; F47-F127 AromaticContact CE2-CG 3.73Å; F47-F127 HydrophobicContact CE2-CG 3.73Å; F47-F127 HydrophobicContact CG-CB 4.45Å; F47-F127 HydrophobicContact CG-CD1 4.21Å; F47-F127 AromaticContact CZ-CD1 3.57Å; F47-F127 HydrophobicContact CZ-CD1 3.57Å; F47-F127 AromaticContact CZ-CE1 3.74Å; F47-F127 HydrophobicContact CZ-CE1 3.74Å; F47-F127 HydrophobicContact CZ-CG 4.29Å
48E94.5Very high96.9Very high82 Ų8261.1 Ų61.138%0.38333%0.325SS..THydrogen-bonded Turntrans51.842.4-174.5-65.6-63.6110.600112A50 F127 T128 L129E48-A50 PolarHBondContact O-N 3.38Å; E48-F127 HydrophobicContact CG-CD1 4.35Å; E48-F127 HydrophobicContact CG-CE1 4.36Å; E48-F127 PolarHBondContact N-O 3.22Å; E48-T128 VanDerWaalsContact OE1-CA 3.23Å; E48-T128 WeakPolarHBondContact OE1-CA 3.18Å; E48-L129 WeakPolarHBondContact OE1-CG 3.36Å; E48-L129 PolarHBondContact OE1-N 3.2Å
49G93.9Very high96.9Very high59 Ų5962 Ų6261%0.60833%0.33SS*.THydrogen-bonded Turntrans79.5-13.1-177.800000115.8F47 Q51F47-G49 PolarHBondContact O-N 2.89Å; G49-Q51 PolarHBondContact O-N 3.26Å
50A95.9Very high96.9Very high44 Ų4466.4 Ų66.436%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-79.5121174.900000110.8T46 F47 E48 M52T46-A50 CarbonylContact C-O 3.51Å; T46-A50 WeakPolarHBondContact CA-O 3.37Å; F47-A50 PolarHBondContact N-O 3.23Å; F47-A50 WeakPolarHBondContact O-CB 3.23Å; F47-A50 PolarHBondContact O-N 3.29Å; E48-A50 PolarHBondContact O-N 3.38Å; A50-M52 HydrophobicContact CB-CE 4.5Å; A50-M52 WeakPolarHBondContact O-CE 3.28Å
51Q97.5Very high96.8Very high167 Ų16766 Ų6678%0.7834%0.339SS*.EExtended strand (participates in β ladder)trans-92.3141.9-179.3-63.2-173-42.600111.9V45 T46 G49V45-Q51 CarbonylContact O-C 3.5Å; V45-Q51 WeakPolarHBondContact O-CA 3.41Å; T46-Q51 HydrophobicContact CG2-CG 4.29Å; G49-Q51 PolarHBondContact O-N 3.26Å
52M97.3Very high96.9Very high27 Ų2759.8 Ų59.813%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-147.6154.317460.6-151.469.600110.6V45 F47 A50 A57 I58 K61V45-M52 HydrophobicContact CB-CG 3.61Å; V45-M52 HydrophobicContact CB-SD 4.08Å; V45-M52 HydrophobicContact CG1-CE 4.37Å; V45-M52 HydrophobicContact CG1-CG 4.07Å; V45-M52 HydrophobicContact CG1-SD 3.92Å; V45-M52 PolarHBondContact N-O 3.39Å; V45-M52 PolarHBondContact O-N 3.45Å; F47-M52 HydrophobicContact CB-CE 4.27Å; A50-M52 HydrophobicContact CB-CE 4.5Å; A50-M52 WeakPolarHBondContact O-CE 3.28Å; M52-A57 HydrophobicContact CB-CB 4.16Å; M52-I58 HydrophobicContact CG-CG1 3.82Å; M52-I58 HydrophobicContact SD-CG1 4.35Å; M52-K61 HydrophobicContact CE-CB 4.05Å; M52-K61 HydrophobicContact CE-CD 4.06Å; M52-K61 HydrophobicContact CE-CG 3.75Å; M52-K61 HydrophobicContact SD-CB 3.52Å; M52-K61 VanDerWaalsContact SD-CB 3.52Å; M52-K61 HydrophobicContact SD-CG 3.77Å
53K97.5Very high96.8Very high119 Ų11957.7 Ų57.752%0.51730%0.302SS..EExtended strand (participates in β ladder)trans-133139-177.9179.1-175.8175.5170.20110L41 S43 Y44L41-K53 WeakPolarHBondContact O-CE 3.44Å; S43-K53 WeakPolarHBondContact O-CA 3.4Å; Y44-K53 HydrophobicContact CD1-CB 4.22Å; Y44-K53 HydrophobicContact CD1-CD 4.36Å; Y44-K53 HydrophobicContact CD1-CG 4.06Å; Y44-K53 HydrophobicContact CE1-CB 4.24Å; Y44-K53 HydrophobicContact CE1-CD 3.57Å; Y44-K53 HydrophobicContact CE1-CG 3.74Å; Y44-K53 WeakPolarHBondContact OH-CE 3.46Å; Y44-K53 PolarHBondContact OH-NZ 3Å
54G97Very high96.6Very high7 Ų760.6 Ų60.67%0.07233%0.332CS..SBendtrans80.5149.4176.500000112.9P40 S43 E56 A57 I58P40-G54 WeakPolarHBondContact O-CA 3.36Å; S43-G54 PolarHBondContact O-N 2.49Å; G54-E56 VanDerWaalsContact C-N 3.31Å; G54-E56 PolarHBondContact O-N 3.41Å; G54-A57 PolarHBondContact O-N 3.11Å; G54-I58 WeakPolarHBondContact O-CD1 3.25Å; G54-I58 VanDerWaalsContact O-CG1 3.28Å; G54-I58 WeakPolarHBondContact O-CG1 3.39Å; G54-I58 PolarHBondContact O-N 3.5Å
55K97.3Very high96.4Very high54 Ų5456.6 Ų56.624%0.23532%0.317CS..Hα-helixtrans-48.7-47.3-175.5178.2172.3171.2159.20113.1A35 D36 D39 P40 A57 I58 L59A35-K55 VanDerWaalsContact C-NZ 3.34Å; A35-K55 WeakPolarHBondContact O-CD 3.34Å; A35-K55 WeakPolarHBondContact O-CE 3.3Å; A35-K55 PolarHBondContact O-NZ 2.97Å; D36-K55 IonicContact OD1-NZ 3.55Å; D39-K55 PolarHBondContact O-N 3.42Å; P40-K55 PolarHBondContact O-N 3.42Å; K55-A57 PolarHBondContact O-N 3.36Å; K55-I58 PolarHBondContact O-N 3.36Å; K55-L59 HydrophobicContact CD-CD1 4.44Å; K55-L59 HydrophobicContact CG-CD1 3.77Å; K55-L59 HydrophobicContact CG-CG 4.01Å; K55-L59 WeakPolarHBondContact O-CB 3.41Å; K55-L59 VanDerWaalsContact O-CG 3.23Å; K55-L59 WeakPolarHBondContact O-CG 3.26Å; K55-L59 PolarHBondContact O-N 2.9Å
56E97Very high96.1Very high165 Ų16562.2 Ų62.277%0.77135%0.354SS*.Hα-helixtrans-59.5-49.3-175.1-172.9175.7-174.700112.9G54 I58 L59 Q60G54-E56 VanDerWaalsContact C-N 3.31Å; G54-E56 PolarHBondContact O-N 3.41Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 2.68Å; E56-L59 PolarHBondContact O-N 2.87Å; E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 2.78Å
57A97.2Very high95.9Very high37 Ų3761.8 Ų61.831%0.30635%0.35SS..Hα-helixtrans-65.2-38.3179.800000112.2M52 G54 K55 K61M52-A57 HydrophobicContact CB-CB 4.16Å; G54-A57 PolarHBondContact O-N 3.11Å; K55-A57 PolarHBondContact O-N 3.36Å; A57-K61 PolarHBondContact O-N 3.15Å; A57-K61 VanDerWaalsContact O-N 3.1Å
58I97.7Very high95.6Very high0 Ų067.8 Ų67.80%038%0.376CS..Hα-helixtrans-62.6-49.8176.6-64.5166.6000110.4Y38 V45 M52 G54 K55 E56 Q60 K61 Y62Y38-I58 HydrophobicContact CD1-CD1 3.73Å; Y38-I58 HydrophobicContact CD1-CG2 4.15Å; Y38-I58 HydrophobicContact CD2-CG2 4.25Å; Y38-I58 HydrophobicContact CE1-CD1 4.22Å; Y38-I58 HydrophobicContact CE1-CG2 3.96Å; Y38-I58 HydrophobicContact CE2-CG2 4.09Å; Y38-I58 HydrophobicContact CG-CD1 4.28Å; Y38-I58 HydrophobicContact CG-CG2 4.28Å; V45-I58 HydrophobicContact CB-CD1 4.39Å; V45-I58 HydrophobicContact CB-CG1 4.07Å; V45-I58 HydrophobicContact CG2-CB 4.36Å; V45-I58 HydrophobicContact CG2-CD1 3.52Å; V45-I58 HydrophobicContact CG2-CG1 3.56Å; V45-I58 HydrophobicContact CG2-CG2 3.89Å; M52-I58 HydrophobicContact CG-CG1 3.82Å; M52-I58 HydrophobicContact SD-CG1 4.35Å; G54-I58 WeakPolarHBondContact O-CD1 3.25Å; G54-I58 VanDerWaalsContact O-CG1 3.28Å; G54-I58 WeakPolarHBondContact O-CG1 3.39Å; G54-I58 PolarHBondContact O-N 3.5Å; K55-I58 PolarHBondContact O-N 3.36Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 2.68Å; I58-Q60 VanDerWaalsContact C-N 3.33Å; I58-Q60 PolarHBondContact O-N 2.85Å; I58-K61 WeakPolarHBondContact O-CB 3.17Å; I58-K61 PolarHBondContact O-N 3.01Å; I58-K61 VanDerWaalsContact O-N 3.17Å; I58-Y62 HydrophobicContact CG2-CD2 3.86Å; I58-Y62 HydrophobicContact CG2-CE2 3.32Å; I58-Y62 PolarHBondContact O-N 3.3Å
59L97Very high95.5Very high26 Ų2666 Ų6614%0.13637%0.373CS..Hα-helixtrans-65.3-36.8-178.5-72.3-164.5000112.6S31 V34 A35 K55 E56 Y62 S63S31-L59 WeakPolarHBondContact O-CD2 3.4Å; S31-L59 WeakPolarHBondContact OG-CA 3.06Å; S31-L59 VanDerWaalsContact OG-CB 3.28Å; S31-L59 WeakPolarHBondContact OG-CB 3.35Å; S31-L59 PolarHBondContact OG-O 3.42Å; V34-L59 HydrophobicContact CG2-CD2 3.98Å; A35-L59 HydrophobicContact CB-CD1 3.65Å; A35-L59 HydrophobicContact CB-CD2 4.42Å; K55-L59 HydrophobicContact CD-CD1 4.44Å; K55-L59 HydrophobicContact CG-CD1 3.77Å; K55-L59 HydrophobicContact CG-CG 4.01Å; K55-L59 WeakPolarHBondContact O-CB 3.41Å; K55-L59 VanDerWaalsContact O-CG 3.23Å; K55-L59 WeakPolarHBondContact O-CG 3.26Å; K55-L59 PolarHBondContact O-N 2.9Å; E56-L59 PolarHBondContact O-N 2.87Å; L59-Y62 PolarHBondContact O-N 2.83Å; L59-S63 PolarHBondContact O-N 2.83Å; L59-S63 PolarHBondContact O-OG 3.46Å
60Q96.4Very high95.6Very high140 Ų14064.2 Ų64.265%0.65435%0.349SS*.Hα-helixtrans-61.6-46.6172.6-171.3-1805.500110.8E56 I58 Y62 S63 G64E56-Q60 WeakPolarHBondContact O-CB 3.34Å; E56-Q60 PolarHBondContact O-N 2.78Å; I58-Q60 VanDerWaalsContact C-N 3.33Å; I58-Q60 PolarHBondContact O-N 2.85Å; Q60-Y62 VanDerWaalsContact C-N 3.35Å; Q60-Y62 PolarHBondContact O-N 3.49Å; Q60-S63 PolarHBondContact O-N 2.99Å; Q60-S63 PolarHBondContact O-OG 2.89Å; Q60-G64 PolarHBondContact O-N 3.49Å
61K95.6Very high95.5Very high74 Ų7468.5 Ų68.532%0.32236%0.361SS..Hα-helixtrans-56.1-47.9175.6175.770.4174.5-1760111.7M52 A57 I58 G64 L65M52-K61 HydrophobicContact CE-CB 4.05Å; M52-K61 HydrophobicContact CE-CD 4.06Å; M52-K61 HydrophobicContact CE-CG 3.75Å; M52-K61 HydrophobicContact SD-CB 3.52Å; M52-K61 VanDerWaalsContact SD-CB 3.52Å; M52-K61 HydrophobicContact SD-CG 3.77Å; A57-K61 PolarHBondContact O-N 3.15Å; A57-K61 VanDerWaalsContact O-N 3.1Å; I58-K61 WeakPolarHBondContact O-CB 3.17Å; I58-K61 PolarHBondContact O-N 3.01Å; I58-K61 VanDerWaalsContact O-N 3.17Å; K61-G64 PolarHBondContact O-N 2.81Å; K61-G64 VanDerWaalsContact O-N 3.15Å; K61-L65 PolarHBondContact O-N 3.4Å
62Y96Very high95.4Very high0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-69.7-33.4-176.1-63.9-18000114F22 R30 V34 Y38 F47 I58 L59 Q60 G64 L65 E125F22-Y62 HydrophobicContact CD2-CD2 4.48Å; F22-Y62 AromaticContact CE2-CD1 3.86Å; F22-Y62 HydrophobicContact CE2-CD1 3.86Å; F22-Y62 AromaticContact CE2-CD2 3.83Å; F22-Y62 HydrophobicContact CE2-CD2 3.83Å; F22-Y62 HydrophobicContact CE2-CE1 4.06Å; F22-Y62 HydrophobicContact CE2-CE2 4.01Å; F22-Y62 AromaticContact CE2-CG 3.75Å; F22-Y62 HydrophobicContact CE2-CG 3.75Å; F22-Y62 HydrophobicContact CZ-CD1 4.18Å; F22-Y62 HydrophobicContact CZ-CE1 4.45Å; F22-Y62 HydrophobicContact CZ-CG 4.4Å; R30-Y62 PolarHBondContact NH1-O 3.05Å; R30-Y62 VanDerWaalsContact NH1-O 3.11Å; V34-Y62 HydrophobicContact CG2-CD2 3.9Å; V34-Y62 HydrophobicContact CG2-CE2 4.34Å; Y38-Y62 AromaticContact CE2-CE2 3.94Å; Y38-Y62 HydrophobicContact CE2-CE2 3.94Å; Y38-Y62 AromaticContact CZ-CE2 3.77Å; Y38-Y62 VanDerWaalsContact OH-CE2 3.3Å; Y38-Y62 WeakPolarHBondContact OH-CE2 3.38Å; Y38-Y62 PolarHBondContact OH-OH 3.24Å; F47-Y62 HydrophobicContact CD2-CE1 4.01Å; F47-Y62 HydrophobicContact CE2-CE1 4.36Å; I58-Y62 HydrophobicContact CG2-CD2 3.86Å; I58-Y62 HydrophobicContact CG2-CE2 3.32Å; I58-Y62 PolarHBondContact O-N 3.3Å; L59-Y62 PolarHBondContact O-N 2.83Å; Q60-Y62 VanDerWaalsContact C-N 3.35Å; Q60-Y62 PolarHBondContact O-N 3.49Å; Y62-G64 PolarHBondContact O-N 3.18Å; Y62-L65 HydrophobicContact CD1-CD1 4.04Å; Y62-L65 PolarHBondContact O-N 2.78Å; Y62-E125 PolarHBondContact OH-OE1 2.89Å; Y62-E125 PolarHBondContact OH-OE2 3.42Å
63S94.9Very high95.3Very high51 Ų5164 Ų6436%0.35735%0.347SS..Hα-helixtrans-64.9-30.2171.269.30000113.1G27 L59 Q60G27-S63 WeakPolarHBondContact O-CA 3.24Å; L59-S63 PolarHBondContact O-N 2.83Å; L59-S63 PolarHBondContact O-OG 3.46Å; Q60-S63 PolarHBondContact O-N 2.99Å; Q60-S63 PolarHBondContact O-OG 2.89Å
64G94.3Very high95.3Very high60 Ų6061.9 Ų61.962%0.61934%0.34SS*.THydrogen-bonded Turntrans-88.91.4-178.600000115.3Q60 K61 Y62Q60-G64 PolarHBondContact O-N 3.49Å; K61-G64 PolarHBondContact O-N 2.81Å; K61-G64 VanDerWaalsContact O-N 3.15Å; Y62-G64 PolarHBondContact O-N 3.18Å
65L94.5Very high95.3Very high21 Ų2166.2 Ų66.211%0.1137%0.365CS..  trans-69129.8177.3-66.6174.9000110.1F22 F47 K61 Y62 F67F22-L65 HydrophobicContact CE1-CD1 4.22Å; F22-L65 HydrophobicContact CZ-CD1 3.59Å; F47-L65 HydrophobicContact CE1-CD2 3.79Å; F47-L65 HydrophobicContact CE2-CD1 4.34Å; F47-L65 HydrophobicContact CZ-CD1 4.02Å; F47-L65 HydrophobicContact CZ-CD2 3.96Å; K61-L65 PolarHBondContact O-N 3.4Å; Y62-L65 HydrophobicContact CD1-CD1 4.04Å; Y62-L65 PolarHBondContact O-N 2.78Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 HydrophobicContact CB-CD1 3.92Å; L65-F67 HydrophobicContact CB-CE1 3.76Å; L65-F67 HydrophobicContact CD1-CE1 3.8Å; L65-F67 HydrophobicContact CG-CE1 4.39Å; L65-F67 PolarHBondContact O-N 2.83Å
66P92.4Very high95.3Very high121 Ų12168.6 Ų68.679%0.78638%0.376SS*.  trans-79.9-10.9-165.431.5-37.2000114.8
67F92.6Very high95.4Very high22 Ų2262.2 Ų62.210%0.09635%0.348CS..  trans-71.2143-176.170.5-98.6000111.9F22 R30 L65 I70 T97 D98F22-F67 HydrophobicContact CD1-CZ 4.24Å; F22-F67 HydrophobicContact CE1-CE1 4.08Å; F22-F67 AromaticContact CE1-CZ 3.73Å; F22-F67 HydrophobicContact CE1-CZ 3.73Å; R30-F67 VanDerWaalsContact CZ-CE2 3.45Å; R30-F67 PolarHBondContact NH2-O 3.17Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 HydrophobicContact CB-CD1 3.92Å; L65-F67 HydrophobicContact CB-CE1 3.76Å; L65-F67 HydrophobicContact CD1-CE1 3.8Å; L65-F67 HydrophobicContact CG-CE1 4.39Å; L65-F67 PolarHBondContact O-N 2.83Å; F67-I70 HydrophobicContact CD2-CB 3.97Å; F67-I70 HydrophobicContact CD2-CG2 4.14Å; F67-I70 HydrophobicContact CE2-CB 3.87Å; F67-I70 HydrophobicContact CE2-CD1 4.46Å; F67-I70 HydrophobicContact CE2-CG2 3.57Å; F67-I70 HydrophobicContact CZ-CD1 4.37Å; F67-I70 HydrophobicContact CZ-CG2 4.26Å; F67-T97 HydrophobicContact CB-CG2 3.76Å; F67-T97 HydrophobicContact CD1-CG2 4.33Å; F67-T97 HydrophobicContact CG-CG2 4.03Å; F67-D98 WeakPolarHBondContact CA-OD2 3.35Å
68K90.9Very high95.4Very high147 Ų14764 Ų6464%0.63935%0.352SS*.SBendtrans-104.4-19.8176.3-63.4-179.4179.9177.20112.8T25 D98T25-K68 WeakPolarHBondContact CA-O 3.45Å; T25-K68 WeakPolarHBondContact CB-O 3.4Å; T25-K68 HydrophobicContact CG2-CB 4.41Å; T25-K68 WeakPolarHBondContact CG2-O 3.41Å; T25-K68 PolarHBondContact OG1-O 2.89Å; K68-D98 WeakPolarHBondContact CA-OD1 3.28Å; K68-D98 WeakPolarHBondContact CB-OD1 3.46Å; K68-D98 PolarHBondContact N-OD1 2.96Å; K68-D98 PolarHBondContact N-OD2 2.84Å
69S93Very high95.5Very high46 Ų4664.8 Ų64.832%0.32236%0.358SS..  trans-143.2145.9175.462.10000109.1T97 D98S69-T97 VanDerWaalsContact O-CA 3.29Å; S69-T97 WeakPolarHBondContact O-CA 3.27Å; S69-D98 PolarHBondContact N-OD1 3.01Å; S69-D98 PolarHBondContact O-N 2.87Å; S69-D98 VanDerWaalsContact OG-CA 3.25Å; S69-D98 WeakPolarHBondContact OG-CA 3.18Å; S69-D98 PolarHBondContact OG-N 3.23Å; S69-D98 PolarHBondContact OG-OD1 3.29Å
70I95.6Very high95.5Very high21 Ų2169.4 Ų69.411%0.10838%0.379CS..EExtended strand (participates in β ladder)trans-142.8130175.9-175161.4000108.3D23 F67 R72 L95 K96 T97D23-I70 VanDerWaalsContact CA-CG2 3.48Å; D23-I70 HydrophobicContact CB-CG2 3.46Å; D23-I70 VanDerWaalsContact CB-CG2 3.46Å; D23-I70 WeakPolarHBondContact OD1-CG2 3.38Å; F67-I70 HydrophobicContact CD2-CB 3.97Å; F67-I70 HydrophobicContact CD2-CG2 4.14Å; F67-I70 HydrophobicContact CE2-CB 3.87Å; F67-I70 HydrophobicContact CE2-CD1 4.46Å; F67-I70 HydrophobicContact CE2-CG2 3.57Å; F67-I70 HydrophobicContact CZ-CD1 4.37Å; F67-I70 HydrophobicContact CZ-CG2 4.26Å; I70-R72 VanDerWaalsContact CD1-CZ 3.48Å; I70-R72 HydrophobicContact CG1-CG 4.25Å; I70-L95 HydrophobicContact CD1-CB 4.37Å; I70-L95 HydrophobicContact CG1-CB 4.39Å; I70-K96 CarbonylContact C-O 3.55Å; I70-K96 VanDerWaalsContact CA-O 3.31Å; I70-K96 WeakPolarHBondContact CA-O 3.46Å; I70-T97 HydrophobicContact CB-CG2 4.38Å; I70-T97 HydrophobicContact CD1-CG2 4.07Å; I70-T97 HydrophobicContact CG1-CG2 4.2Å
71Q94.8Very high95.6Very high133 Ų13364.5 Ų64.562%0.62136%0.359SS*.EExtended strand (participates in β ladder)trans-118.4129.7173.9-61.3-179.322.600108L95 K96Q71-L95 CarbonylContact O-C 3.59Å; Q71-L95 VanDerWaalsContact O-CA 3.23Å; Q71-L95 WeakPolarHBondContact O-CA 3.43Å; Q71-K96 PolarHBondContact N-O 3.37Å; Q71-K96 PolarHBondContact O-N 3.49Å
72R94.8Very high95.7Very high48 Ų4863.7 Ų63.718%0.18136%0.358CS..EExtended strand (participates in β ladder)trans-116.8139.2-179-62.4-171.3-167.5-97.53.1111.9D23 I70 Q94 L95D23-R72 IonicContact OD1-CZ 2.84Å; D23-R72 VanDerWaalsContact OD1-CZ 3.3Å; D23-R72 IonicContact OD1-NE 2.97Å; D23-R72 PolarHBondContact OD1-NE 3Å; D23-R72 IonicContact OD1-NH2 2.9Å; D23-R72 PolarHBondContact OD1-NH2 2.62Å; D23-R72 WeakPolarHBondContact OD2-CD 3.45Å; D23-R72 WeakPolarHBondContact OD2-CG 3.39Å; D23-R72 IonicContact OD2-CZ 2.81Å; D23-R72 IonicContact OD2-NE 3.3Å; D23-R72 PolarHBondContact OD2-NE 2.93Å; I70-R72 VanDerWaalsContact CD1-CZ 3.48Å; I70-R72 HydrophobicContact CG1-CG 4.25Å; R72-Q94 CarbonylContact C-O 3.49Å; R72-Q94 WeakPolarHBondContact CA-O 3.35Å; R72-L95 HydrophobicContact CG-CB 4.24Å
73A95.7Very high95.7Very high52 Ų5265.7 Ų65.743%0.4338%0.375SS..EExtended strand (participates in β ladder)trans-116.1103.7164.400000108.1T75 G93 Q94A73-T75 PolarHBondContact O-N 2.85Å; A73-G93 CarbonylContact O-C 3.56Å; A73-G93 WeakPolarHBondContact O-CA 3.5Å; A73-Q94 PolarHBondContact N-O 2.87Å; A73-Q94 PolarHBondContact O-N 3.25Å
74I96.9Very high95.6Very high75 Ų7567.7 Ų67.739%0.38538%0.381SS..EExtended strand (participates in β ladder)trans-76.5121.2175.8-58.4170.8000107.9V15 Y19 V77 V91V15-I74 HydrophobicContact CG1-CD1 3.85Å; Y19-I74 HydrophobicContact CD2-CD1 3.77Å; Y19-I74 HydrophobicContact CD2-CG1 4.41Å; Y19-I74 HydrophobicContact CE2-CD1 3.91Å; Y19-I74 HydrophobicContact CE2-CG1 4.24Å; I74-V77 HydrophobicContact CG2-CG2 3.63Å; I74-V91 HydrophobicContact CG2-CG1 4.01Å
75T96.4Very high95.6Very high97 Ų9765.2 Ų65.260%0.59536%0.355SS*.EExtended strand (participates in β ladder)trans-95.2-33.6179.755.90000111.6A73 L92A73-T75 PolarHBondContact O-N 2.85Å; T75-L92 PolarHBondContact N-O 3.25Å; T75-L92 VanDerWaalsContact OG1-C 3.25Å; T75-L92 PolarHBondContact OG1-O 2.77Å
76K97.5Very high95.8Very high104 Ų10464.2 Ų64.245%0.45235%0.351SS..EExtended strand (participates in β ladder)trans-153.3141.9-177.1-17072-175.4-178.10111.2D78 V91 L92K76-D78 WeakPolarHBondContact CE-OD1 3.3Å; K76-D78 WeakPolarHBondContact CE-OD2 3.36Å; K76-D78 WeakPolarHBondContact CG-OD2 3.26Å; K76-D78 IonicContact NZ-OD1 3.36Å; K76-D78 PolarHBondContact NZ-OD1 2.99Å; K76-V91 WeakPolarHBondContact O-CA 3.39Å; K76-L92 HydrophobicContact CB-CB 4.23Å; K76-L92 PolarHBondContact N-O 2.92Å; K76-L92 PolarHBondContact O-N 2.78Å
77V98.5Very high96.1Very high32 Ų3258.5 Ų58.519%0.19431%0.313CS..EExtended strand (participates in β ladder)trans-130.2119.5166-176.60000107.2Q12 V15 I74 V89 L90 V91Q12-V77 HydrophobicContact CG-CG1 4.45Å; V15-V77 HydrophobicContact CG1-CG2 4.2Å; V15-V77 HydrophobicContact CG2-CG1 4.1Å; I74-V77 HydrophobicContact CG2-CG2 3.63Å; V77-V89 HydrophobicContact CG1-CG1 3.99Å; V77-L90 CarbonylContact C-O 3.54Å; V77-L90 WeakPolarHBondContact CA-O 3.38Å; V77-V91 HydrophobicContact CG2-CG1 4.38Å; V77-V91 HydrophobicContact CG2-CG2 4.43Å
78D98.5Very high96.4Very high74 Ų7459.9 Ų59.940%0.39632%0.321SS..EExtended strand (participates in β ladder)trans-116.2137.3174.3-69.6-60.7000108.8K76 L90K76-D78 WeakPolarHBondContact CE-OD1 3.3Å; K76-D78 WeakPolarHBondContact CE-OD2 3.36Å; K76-D78 WeakPolarHBondContact CG-OD2 3.26Å; K76-D78 IonicContact NZ-OD1 3.36Å; K76-D78 PolarHBondContact NZ-OD1 2.99Å; D78-L90 PolarHBondContact N-O 2.83Å; D78-L90 PolarHBondContact O-N 2.86Å
79C98.5Very high96.7Very high16 Ų1652.9 Ų52.911%0.10829%0.291CS..EExtended strand (participates in β ladder)trans-126.1148.5-177.6-58.40000110.1F7 E8 V87 L88F7-C79 HydrophobicContact CD2-CB 3.83Å; F7-C79 HydrophobicContact CE2-CB 4.29Å; F7-C79 VanDerWaalsContact CE2-O 3.3Å; F7-C79 WeakPolarHBondContact CE2-O 3.18Å; E8-C79 HydrophobicContact CG-CB 4.39Å; C79-V87 HydrophobicContact CB-CG1 4.38Å; C79-L88 CarbonylContact C-O 3.6Å; C79-L88 VanDerWaalsContact CA-O 3.23Å; C79-L88 WeakPolarHBondContact CA-O 3.29Å
80Q98.4Very high97Very high123 Ų12353.6 Ų53.658%0.57529%0.291SS*.EExtended strand (participates in β ladder)trans-136.9142.9169.8-70.9-170-17.200110.7L88Q80-L88 HydrophobicContact CB-CB 4.36Å; Q80-L88 PolarHBondContact N-O 2.84Å; Q80-L88 PolarHBondContact O-N 3.39Å
81P97.9Very high97.1Very high38 Ų3852.6 Ų52.625%0.24729%0.286CS..EExtended strand (participates in β ladder)trans-79.9141.5172.334.6-32.6000110Y3 F7Y3-P81 HydrophobicContact CD1-CB 3.99Å; Y3-P81 HydrophobicContact CD1-CG 4.11Å; F7-P81 HydrophobicContact CB-CB 3.98Å; F7-P81 HydrophobicContact CD1-CB 3.86Å; F7-P81 HydrophobicContact CD1-CG 3.85Å; F7-P81 HydrophobicContact CD2-CB 4.47Å; F7-P81 HydrophobicContact CD2-CG 4.41Å; F7-P81 HydrophobicContact CE1-CB 4.49Å; F7-P81 HydrophobicContact CE1-CG 3.98Å; F7-P81 HydrophobicContact CG-CB 3.84Å; F7-P81 HydrophobicContact CG-CG 4.07Å; F7-P81 HydrophobicContact CZ-CG 4.33Å
82L97.5Very high97.3Very high57 Ų5749.3 Ų49.330%0.29827%0.272SS..  trans-102.4160.8172.1-57.6-176.2000110.9Y3 D84 G85 S86 L88 V110Y3-L82 VanDerWaalsContact CD1-O 3.32Å; Y3-L82 WeakPolarHBondContact CD1-O 3.23Å; L82-D84 WeakPolarHBondContact CB-OD1 3.35Å; L82-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact O-N 3.15Å; L82-G85 PolarHBondContact O-N 2.76Å; L82-G85 VanDerWaalsContact O-N 3.12Å; L82-S86 PolarHBondContact N-O 2.82Å; L82-L88 HydrophobicContact CD1-CB 4.48Å; L82-L88 HydrophobicContact CD2-CB 4.2Å; L82-L88 HydrophobicContact CG-CB 4.35Å; L82-V110 HydrophobicContact CD1-CG1 3.82Å
83A95.3Very high97.4Very high42 Ų4247.3 Ų47.335%0.34727%0.266SS..THydrogen-bonded Turntrans-67.2-16.3-169.400000114.7M1 A2 Y3M1-A83 CarbonylContact C-O 3.53Å; M1-A83 WeakPolarHBondContact CA-O 3.26Å; M1-A83 HydrophobicContact CB-CB 4.42Å; M1-A83 HydrophobicContact CG-CB 4.15Å; A2-A83 PolarHBondContact N-O 2.89Å; Y3-A83 HydrophobicContact CE1-CB 4.07Å
84D94.1Very high97.5Very high92 Ų9249 Ų4949%0.49227%0.265SS..THydrogen-bonded Turntrans-98.94.1179.366.3-19000113.2L82 S86L82-D84 WeakPolarHBondContact CB-OD1 3.35Å; L82-D84 PolarHBondContact O-N 2.98Å; L82-D84 VanDerWaalsContact O-N 3.15Å; D84-S86 WeakPolarHBondContact OD1-CB 3.42Å; D84-S86 PolarHBondContact OD1-N 2.67Å; D84-S86 PolarHBondContact OD1-OG 2.95Å; D84-S86 PolarHBondContact OD2-OG 3.07Å
85G95Very high97.4Very high8 Ų845.9 Ų45.98%0.08225%0.249CC..SBendtrans91-1.9-176.400000114.1A2 L82A2-G85 WeakPolarHBondContact O-CA 3.35Å; A2-G85 PolarHBondContact O-N 3.03Å; L82-G85 PolarHBondContact O-N 2.76Å; L82-G85 VanDerWaalsContact O-N 3.12Å
86S97.3Very high97.4Very high1 Ų144 Ų441%0.00723%0.233CC..  trans-68.7161172.7-56.80000111.8L82 D84 L111 K112 P113L82-S86 PolarHBondContact N-O 2.82Å; D84-S86 WeakPolarHBondContact OD1-CB 3.42Å; D84-S86 PolarHBondContact OD1-N 2.67Å; D84-S86 PolarHBondContact OD1-OG 2.95Å; D84-S86 PolarHBondContact OD2-OG 3.07Å; S86-L111 CarbonylContact C-O 3.54Å; S86-L111 WeakPolarHBondContact CA-O 3.27Å; S86-L111 WeakPolarHBondContact CB-O 3.49Å; S86-K112 WeakPolarHBondContact OG-CA 3.46Å; S86-P113 WeakPolarHBondContact OG-CD 3.45Å
87V98.2Very high97.2Very high0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-121120178.7-177.30000108.7F7 I10 C79 V89 V110 L111 F120F7-V87 HydrophobicContact CB-CG1 4.03Å; F7-V87 HydrophobicContact CB-CG2 3.87Å; F7-V87 WeakPolarHBondContact O-CG1 3.23Å; I10-V87 HydrophobicContact CG2-CG2 4.25Å; C79-V87 HydrophobicContact CB-CG1 4.38Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V87-V110 WeakPolarHBondContact O-CA 3.46Å; V87-L111 HydrophobicContact CB-CB 4.26Å; V87-L111 HydrophobicContact CB-CD1 4.5Å; V87-L111 PolarHBondContact N-O 3.17Å; V87-L111 PolarHBondContact O-N 3.05Å; V87-F120 HydrophobicContact CG2-CE1 4.35Å
88L98.7Very high97Very high52 Ų5240.8 Ų40.827%0.27222%0.22SC..EExtended strand (participates in β ladder)trans-82.2128.3166.7174.664.6000108.3C79 Q80 L82 T108 V110C79-L88 CarbonylContact C-O 3.6Å; C79-L88 VanDerWaalsContact CA-O 3.23Å; C79-L88 WeakPolarHBondContact CA-O 3.29Å; Q80-L88 HydrophobicContact CB-CB 4.36Å; Q80-L88 PolarHBondContact N-O 2.84Å; Q80-L88 PolarHBondContact O-N 3.39Å; L82-L88 HydrophobicContact CD1-CB 4.48Å; L82-L88 HydrophobicContact CD2-CB 4.2Å; L82-L88 HydrophobicContact CG-CB 4.35Å; L88-T108 HydrophobicContact CD1-CG2 3.74Å; L88-V110 HydrophobicContact CD1-CG2 4Å
89V98.8Very high96.8Very high0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-125.4124.8179.8-174.70000108.7V15 V77 V87 V91 T108 F109 L111V15-V89 HydrophobicContact CG2-CG1 3.65Å; V77-V89 HydrophobicContact CG1-CG1 3.99Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V89-V91 HydrophobicContact CG1-CG2 4.14Å; V89-T108 CarbonylContact O-C 3.43Å; V89-T108 VanDerWaalsContact O-CA 3.27Å; V89-T108 WeakPolarHBondContact O-CA 3.45Å; V89-F109 HydrophobicContact CB-CB 4.3Å; V89-F109 PolarHBondContact N-O 2.87Å; V89-F109 PolarHBondContact O-N 2.87Å; V89-L111 HydrophobicContact CG2-CD1 4.01Å; V89-L111 HydrophobicContact CG2-CG 4.26Å
90L98.7Very high96.4Very high60 Ų6048.9 Ų48.931%0.31426%0.257SS..EExtended strand (participates in β ladder)trans-110.1128.1169.4174.366.4000108.8V77 D78 L92 T108V77-L90 CarbonylContact C-O 3.54Å; V77-L90 WeakPolarHBondContact CA-O 3.38Å; D78-L90 PolarHBondContact N-O 2.83Å; D78-L90 PolarHBondContact O-N 2.86Å; L90-L92 HydrophobicContact CD1-CD2 4.43Å; L90-T108 WeakPolarHBondContact CD1-OG1 3.48Å
91V98.6Very high96.2Very high0 Ų050.6 Ų50.60%027%0.267CS..EExtended strand (participates in β ladder)trans-116.8130.9173.9-173.20000109.1V15 Y19 I74 K76 V77 V89 Y105 S106 H107 F109V15-V91 HydrophobicContact CB-CG2 4.45Å; V15-V91 HydrophobicContact CG1-CG1 4.46Å; V15-V91 HydrophobicContact CG1-CG2 3.99Å; V15-V91 HydrophobicContact CG2-CG2 3.51Å; Y19-V91 HydrophobicContact CE2-CG1 4.11Å; I74-V91 HydrophobicContact CG2-CG1 4.01Å; K76-V91 WeakPolarHBondContact O-CA 3.39Å; V77-V91 HydrophobicContact CG2-CG1 4.38Å; V77-V91 HydrophobicContact CG2-CG2 4.43Å; V89-V91 HydrophobicContact CG1-CG2 4.14Å; V91-Y105 HydrophobicContact CG1-CE2 4.35Å; V91-S106 WeakPolarHBondContact O-CA 3.43Å; V91-H107 HydrophobicContact CB-CB 4.19Å; V91-H107 WeakPolarHBondContact CB-O 3.48Å; V91-H107 PolarHBondContact N-O 3.31Å; V91-H107 PolarHBondContact O-N 2.82Å; V91-F109 HydrophobicContact CG2-CE2 4.25Å
92L98.1Very high96Very high65 Ų6552.6 Ų52.634%0.3428%0.28SS..EExtended strand (participates in β ladder)trans-114.5144.9165.5-58.6178000108.9T75 K76 L90T75-L92 PolarHBondContact N-O 3.25Å; T75-L92 VanDerWaalsContact OG1-C 3.25Å; T75-L92 PolarHBondContact OG1-O 2.77Å; K76-L92 HydrophobicContact CB-CB 4.23Å; K76-L92 PolarHBondContact N-O 2.92Å; K76-L92 PolarHBondContact O-N 2.78Å; L90-L92 HydrophobicContact CD1-CD2 4.43Å
93G97.2Very high95.9Very high5 Ų552.4 Ų52.45%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-174-173176.400000113.1A73 S104 Y105A73-G93 CarbonylContact O-C 3.56Å; A73-G93 WeakPolarHBondContact O-CA 3.5Å; G93-S104 CarbonylContact O-C 3.49Å; G93-S104 WeakPolarHBondContact O-CA 3.46Å; G93-Y105 VanDerWaalsContact C-CD1 3.49Å; G93-Y105 VanDerWaalsContact C-CE1 3.43Å; G93-Y105 PolarHBondContact N-O 3.02Å; G93-Y105 WeakPolarHBondContact O-CD1 3.2Å; G93-Y105 PolarHBondContact O-N 2.92Å
94Q96.7Very high96Very high88 Ų8852.7 Ų52.741%0.41128%0.277SS..EExtended strand (participates in β ladder)trans-116.6145.3167.4-62.8-175.3-51.100109.3R72 A73 Q103R72-Q94 CarbonylContact C-O 3.49Å; R72-Q94 WeakPolarHBondContact CA-O 3.35Å; A73-Q94 PolarHBondContact N-O 2.87Å; A73-Q94 PolarHBondContact O-N 3.25Å; Q94-Q103 CarbonylContact C-O 3.54Å; Q94-Q103 VanDerWaalsContact CA-O 3.24Å; Q94-Q103 WeakPolarHBondContact CA-O 3.41Å
95L96.1Very high96.1Very high9 Ų948.4 Ų48.45%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-127147.417164.788.3000109.6I70 Q71 R72 T97 P102 Q103 Y105 F127 L129I70-L95 HydrophobicContact CD1-CB 4.37Å; I70-L95 HydrophobicContact CG1-CB 4.39Å; Q71-L95 CarbonylContact O-C 3.59Å; Q71-L95 VanDerWaalsContact O-CA 3.23Å; Q71-L95 WeakPolarHBondContact O-CA 3.43Å; R72-L95 HydrophobicContact CG-CB 4.24Å; L95-T97 HydrophobicContact CD1-CG2 4Å; L95-P102 CarbonylContact O-C 3.58Å; L95-P102 WeakPolarHBondContact O-CA 3.23Å; L95-Q103 PolarHBondContact N-O 3.19Å; L95-Q103 PolarHBondContact O-N 3.01Å; L95-Y105 HydrophobicContact CB-CD1 4.01Å; L95-Y105 HydrophobicContact CB-CE1 4.15Å; L95-Y105 HydrophobicContact CD2-CD1 3.6Å; L95-Y105 HydrophobicContact CD2-CE1 4.27Å; L95-Y105 HydrophobicContact CD2-CG 3.8Å; L95-Y105 HydrophobicContact CG-CD1 3.95Å; L95-F127 HydrophobicContact CD2-CE2 4Å; L95-F127 HydrophobicContact CD2-CZ 3.65Å; L95-L129 HydrophobicContact CD1-CD2 4.28Å; L95-L129 HydrophobicContact CD2-CD2 3.95Å; L95-L129 HydrophobicContact CG-CD2 4.34Å
96K95.7Very high96.2Very high57 Ų5749.4 Ų49.425%0.24826%0.259CS..EExtended strand (participates in β ladder)trans-123117.7169.2-179.6-176.8165.675.60107.3I70 Q71 D98 D100 P102I70-K96 CarbonylContact C-O 3.55Å; I70-K96 VanDerWaalsContact CA-O 3.31Å; I70-K96 WeakPolarHBondContact CA-O 3.46Å; Q71-K96 PolarHBondContact N-O 3.37Å; Q71-K96 PolarHBondContact O-N 3.49Å; K96-D98 WeakPolarHBondContact CE-O 3.45Å; K96-D100 WeakPolarHBondContact CG-O 3.1Å; K96-D100 PolarHBondContact NZ-O 2.93Å; K96-P102 HydrophobicContact CB-CG 4.42Å; K96-P102 HydrophobicContact CD-CG 4.49Å
97T94.6Very high96.3Very high21 Ų2149.5 Ų49.513%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-96.9129.3172.642.50000109.6F67 S69 I70 L95 E99 D100F67-T97 HydrophobicContact CB-CG2 3.76Å; F67-T97 HydrophobicContact CD1-CG2 4.33Å; F67-T97 HydrophobicContact CG-CG2 4.03Å; S69-T97 VanDerWaalsContact O-CA 3.29Å; S69-T97 WeakPolarHBondContact O-CA 3.27Å; I70-T97 HydrophobicContact CB-CG2 4.38Å; I70-T97 HydrophobicContact CD1-CG2 4.07Å; I70-T97 HydrophobicContact CG1-CG2 4.2Å; L95-T97 HydrophobicContact CD1-CG2 4Å; T97-E99 PolarHBondContact O-N 3.44Å; T97-D100 WeakPolarHBondContact O-CB 3.48Å; T97-D100 PolarHBondContact O-N 3.01Å; T97-D100 PolarHBondContact OG1-OD2 2.91Å
98D94.3Very high96.3Very high48 Ų4851.2 Ų51.226%0.25727%0.27SS..THydrogen-bonded Turntrans47.2-126.4177.9-57.9-35.3000112.3F67 K68 S69 K96F67-D98 WeakPolarHBondContact CA-OD2 3.35Å; K68-D98 WeakPolarHBondContact CA-OD1 3.28Å; K68-D98 WeakPolarHBondContact CB-OD1 3.46Å; K68-D98 PolarHBondContact N-OD1 2.96Å; K68-D98 PolarHBondContact N-OD2 2.84Å; S69-D98 PolarHBondContact N-OD1 3.01Å; S69-D98 PolarHBondContact O-N 2.87Å; S69-D98 VanDerWaalsContact OG-CA 3.25Å; S69-D98 WeakPolarHBondContact OG-CA 3.18Å; S69-D98 PolarHBondContact OG-N 3.23Å; S69-D98 PolarHBondContact OG-OD1 3.29Å; K96-D98 WeakPolarHBondContact CE-O 3.45Å
99E92.6Very high96.3Very high176 Ų17648.7 Ų48.782%0.82226%0.257SS*.THydrogen-bonded Turntrans-93.94.7178.1-63.9-56.7148.400113.3T97T97-E99 PolarHBondContact O-N 3.44Å
100D91.5Very high96.3Very high84 Ų8449.9 Ų49.945%0.44926%0.264SS..SBendtrans-63.9161.6-179.2-62-39000111.8K96 T97K96-D100 WeakPolarHBondContact CG-O 3.1Å; K96-D100 PolarHBondContact NZ-O 2.93Å; T97-D100 WeakPolarHBondContact O-CB 3.48Å; T97-D100 PolarHBondContact O-N 3.01Å; T97-D100 PolarHBondContact OG1-OD2 2.91Å
101M92.7Very high96.3Very high160 Ų16047 Ų4779%0.78825%0.249SC*.PPolyproline II helixtrans-65.8145.5170.5-64.7-169.5-63.200110.2Q103M101-Q103 WeakPolarHBondContact O-CG 3.28Å; M101-Q103 PolarHBondContact O-N 3.37Å
102P94.4Very high96.2Very high79 Ų7950.1 Ų50.151%0.51326%0.263SS..PPolyproline II helixtrans-56131.7171-24.434000111.5L95 K96L95-P102 CarbonylContact O-C 3.58Å; L95-P102 WeakPolarHBondContact O-CA 3.23Å; K96-P102 HydrophobicContact CB-CG 4.42Å; K96-P102 HydrophobicContact CD-CG 4.49Å
103Q95.1Very high96.1Very high54 Ų5448.7 Ų48.725%0.25226%0.257SS..EExtended strand (participates in β ladder)trans-118.2136.7179.5-61.1-179.33400109.7Q94 L95 M101 L129Q94-Q103 CarbonylContact C-O 3.54Å; Q94-Q103 VanDerWaalsContact CA-O 3.24Å; Q94-Q103 WeakPolarHBondContact CA-O 3.41Å; L95-Q103 PolarHBondContact N-O 3.19Å; L95-Q103 PolarHBondContact O-N 3.01Å; M101-Q103 WeakPolarHBondContact O-CG 3.28Å; M101-Q103 PolarHBondContact O-N 3.37Å; Q103-L129 HydrophobicContact CB-CD2 4.07Å; Q103-L129 VanDerWaalsContact OE1-CD1 3.27Å
104S96.9Very high95.9Very high48 Ų4849.3 Ų49.334%0.33626%0.262SS..EExtended strand (participates in β ladder)trans-72.1145.1170.6-640000109.6G93 V130G93-S104 CarbonylContact O-C 3.49Å; G93-S104 WeakPolarHBondContact O-CA 3.46Å; S104-V130 PolarHBondContact O-N 3.03Å
105Y97.4Very high95.4Very high2 Ų251.3 Ų51.31%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-140.6156.7177.875-86.4000111.3Y19 V91 G93 L95 H107 F127 T128Y19-Y105 WeakPolarHBondContact OH-CE2 3.11Å; Y19-Y105 PolarHBondContact OH-OH 2.87Å; V91-Y105 HydrophobicContact CG1-CE2 4.35Å; G93-Y105 VanDerWaalsContact C-CD1 3.49Å; G93-Y105 VanDerWaalsContact C-CE1 3.43Å; G93-Y105 PolarHBondContact N-O 3.02Å; G93-Y105 WeakPolarHBondContact O-CD1 3.2Å; G93-Y105 PolarHBondContact O-N 2.92Å; L95-Y105 HydrophobicContact CB-CD1 4.01Å; L95-Y105 HydrophobicContact CB-CE1 4.15Å; L95-Y105 HydrophobicContact CD2-CD1 3.6Å; L95-Y105 HydrophobicContact CD2-CE1 4.27Å; L95-Y105 HydrophobicContact CD2-CG 3.8Å; L95-Y105 HydrophobicContact CG-CD1 3.95Å; Y105-H107 HydrophobicContact CD2-CB 3.95Å; Y105-H107 HydrophobicContact CE2-CB 3.82Å; Y105-F127 HydrophobicContact CD2-CD2 4.33Å; Y105-F127 AromaticContact CD2-CE2 3.76Å; Y105-F127 HydrophobicContact CD2-CE2 3.76Å; Y105-F127 HydrophobicContact CG-CE2 4.07Å; Y105-T128 WeakPolarHBondContact CA-O 3.32Å
106S97.9Very high94.8Very high29 Ų2954.5 Ų54.520%0.20332%0.318CS..EExtended strand (participates in β ladder)trans-117.7134.2166.3-179.70000108.7V91 T128V91-S106 WeakPolarHBondContact O-CA 3.43Å; S106-T128 PolarHBondContact N-O 2.94Å; S106-T128 PolarHBondContact O-N 2.86Å
107H98.3Very high94Very high2 Ų254.4 Ų54.41%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-134.7114178.8-159.1172.5000109.7Y18 Y19 V91 Y105 F109 E125 I126 F127Y18-H107 AromaticContact CE1-CE1 3.8Å; Y19-H107 AromaticContact CE1-ND1 3.72Å; Y19-H107 AromaticContact CZ-ND1 3.82Å; Y19-H107 WeakPolarHBondContact OH-CB 3.35Å; Y19-H107 PolarHBondContact OH-ND1 2.88Å; Y19-H107 VanDerWaalsContact OH-ND1 3.07Å; V91-H107 HydrophobicContact CB-CB 4.19Å; V91-H107 WeakPolarHBondContact CB-O 3.48Å; V91-H107 PolarHBondContact N-O 3.31Å; V91-H107 PolarHBondContact O-N 2.82Å; Y105-H107 HydrophobicContact CD2-CB 3.95Å; Y105-H107 HydrophobicContact CE2-CB 3.82Å; H107-F109 HydrophobicContact CB-CE2 4.26Å; H107-F109 AromaticContact CD2-CE1 3.93Å; H107-F109 AromaticContact CD2-CE2 3.74Å; H107-F109 AromaticContact CD2-CZ 3.55Å; H107-F109 AromaticContact CE1-CE1 3.59Å; H107-F109 AromaticContact CE1-CE2 3.87Å; H107-F109 AromaticContact CE1-CZ 3.06Å; H107-F109 WeakPolarHBondContact CE1-CZ 3.31Å; H107-F109 AromaticContact CG-CE2 3.59Å; H107-F109 AromaticContact CG-CZ 3.61Å; H107-F109 AromaticContact ND1-CE2 3.65Å; H107-F109 AromaticContact ND1-CZ 3.29Å; H107-F109 VanDerWaalsContact ND1-CZ 3.29Å; H107-F109 WeakPolarHBondContact ND1-CZ 3.43Å; H107-F109 AromaticContact NE2-CE1 3.38Å; H107-F109 WeakPolarHBondContact NE2-CE1 3.3Å; H107-F109 AromaticContact NE2-CE2 3.93Å; H107-F109 AromaticContact NE2-CZ 3.23Å; H107-F109 WeakPolarHBondContact NE2-CZ 3.28Å; H107-E125 IonicContact CE1-OE1 3.99Å; H107-E125 PolarHBondContact CE1-OE1 2.95Å; H107-E125 VanDerWaalsContact NE2-CG 3.3Å; H107-E125 WeakPolarHBondContact NE2-CG 3.23Å; H107-E125 IonicContact NE2-OE1 3.41Å; H107-E125 PolarHBondContact NE2-OE1 3.03Å; H107-I126 CarbonylContact C-O 3.48Å; H107-I126 WeakPolarHBondContact CA-O 3.3Å; H107-I126 PolarHBondContact CD2-O 3.33Å; H107-F127 HydrophobicContact CB-CD2 4.27Å; H107-F127 AromaticContact CG-CD2 3.91Å; H107-F127 AromaticContact ND1-CD2 3.88Å
108T98.7Very high93.5Very high36 Ų3659.6 Ų59.622%0.22137%0.365CS..EExtended strand (participates in β ladder)trans-110.2136-179.2-55.50000110L88 V89 L90 E125 I126L88-T108 HydrophobicContact CD1-CG2 3.74Å; V89-T108 CarbonylContact O-C 3.43Å; V89-T108 VanDerWaalsContact O-CA 3.27Å; V89-T108 WeakPolarHBondContact O-CA 3.45Å; L90-T108 WeakPolarHBondContact CD1-OG1 3.48Å; T108-E125 CarbonylContact O-C 3.51Å; T108-E125 VanDerWaalsContact O-CA 3.26Å; T108-E125 WeakPolarHBondContact O-CA 3.5Å; T108-I126 PolarHBondContact N-O 3.12Å; T108-I126 PolarHBondContact O-N 3.04Å
109F98.8Very high93.4Very high0 Ų060.2 Ų60.20%037%0.372CS..EExtended strand (participates in β ladder)trans-127.4148.5174.6-54.2-91.2000111F14 Y18 V89 V91 H107 L111 I122 N124 E125F14-F109 HydrophobicContact CE1-CB 4.18Å; F14-F109 AromaticContact CE1-CD1 3.83Å; F14-F109 HydrophobicContact CE1-CD1 3.83Å; F14-F109 AromaticContact CE1-CD2 3.84Å; F14-F109 HydrophobicContact CE1-CD2 3.84Å; F14-F109 HydrophobicContact CE1-CE1 4.01Å; F14-F109 HydrophobicContact CE1-CE2 4.04Å; F14-F109 AromaticContact CE1-CG 3.69Å; F14-F109 HydrophobicContact CE1-CG 3.69Å; F14-F109 HydrophobicContact CE1-CZ 4.07Å; F14-F109 AromaticContact CZ-CD1 3.96Å; F14-F109 HydrophobicContact CZ-CD1 3.96Å; F14-F109 HydrophobicContact CZ-CE1 4.1Å; F14-F109 HydrophobicContact CZ-CG 4.25Å; Y18-F109 HydrophobicContact CD1-CE1 4.47Å; Y18-F109 AromaticContact CD1-CZ 3.97Å; Y18-F109 HydrophobicContact CD1-CZ 3.97Å; Y18-F109 HydrophobicContact CD2-CE1 4.08Å; Y18-F109 HydrophobicContact CD2-CZ 4.32Å; Y18-F109 HydrophobicContact CE1-CE1 4.28Å; Y18-F109 AromaticContact CE1-CZ 3.96Å; Y18-F109 HydrophobicContact CE1-CZ 3.96Å; Y18-F109 AromaticContact CE2-CE1 3.82Å; Y18-F109 HydrophobicContact CE2-CE1 3.82Å; Y18-F109 HydrophobicContact CE2-CZ 4.27Å; Y18-F109 HydrophobicContact CG-CE1 4.4Å; Y18-F109 HydrophobicContact CG-CZ 4.17Å; Y18-F109 AromaticContact CZ-CE1 3.93Å; V89-F109 HydrophobicContact CB-CB 4.3Å; V89-F109 PolarHBondContact N-O 2.87Å; V89-F109 PolarHBondContact O-N 2.87Å; V91-F109 HydrophobicContact CG2-CE2 4.25Å; H107-F109 HydrophobicContact CB-CE2 4.26Å; H107-F109 AromaticContact CD2-CE1 3.93Å; H107-F109 AromaticContact CD2-CE2 3.74Å; H107-F109 AromaticContact CD2-CZ 3.55Å; H107-F109 AromaticContact CE1-CE1 3.59Å; H107-F109 AromaticContact CE1-CE2 3.87Å; H107-F109 AromaticContact CE1-CZ 3.06Å; H107-F109 WeakPolarHBondContact CE1-CZ 3.31Å; H107-F109 AromaticContact CG-CE2 3.59Å; H107-F109 AromaticContact CG-CZ 3.61Å; H107-F109 AromaticContact ND1-CE2 3.65Å; H107-F109 AromaticContact ND1-CZ 3.29Å; H107-F109 VanDerWaalsContact ND1-CZ 3.29Å; H107-F109 WeakPolarHBondContact ND1-CZ 3.43Å; H107-F109 AromaticContact NE2-CE1 3.38Å; H107-F109 WeakPolarHBondContact NE2-CE1 3.3Å; H107-F109 AromaticContact NE2-CE2 3.93Å; H107-F109 AromaticContact NE2-CZ 3.23Å; H107-F109 WeakPolarHBondContact NE2-CZ 3.28Å; F109-L111 HydrophobicContact CB-CD2 4.25Å; F109-I122 HydrophobicContact CD1-CD1 4.36Å; F109-I122 HydrophobicContact CD1-CG1 4.5Å; F109-I122 HydrophobicContact CD1-CG2 4.09Å; F109-I122 HydrophobicContact CE1-CD1 4.44Å; F109-N124 CarbonylContact C-O 3.59Å; F109-N124 VanDerWaalsContact CA-O 3.28Å; F109-N124 WeakPolarHBondContact CA-O 3.02Å; F109-E125 HydrophobicContact CD1-CB 4.21Å; F109-E125 HydrophobicContact CD1-CG 3.89Å; F109-E125 HydrophobicContact CE1-CG 3.81Å
110V98.6Very high93.6Very high24 Ų2454.6 Ų54.615%0.14535%0.346CS..EExtended strand (participates in β ladder)trans-114.7116.6159.4-179.20000107.7L82 V87 L88 S123 N124L82-V110 HydrophobicContact CD1-CG1 3.82Å; V87-V110 WeakPolarHBondContact O-CA 3.46Å; L88-V110 HydrophobicContact CD1-CG2 4Å; V110-S123 WeakPolarHBondContact CB-OG 3.12Å; V110-S123 WeakPolarHBondContact CG1-OG 3.19Å; V110-S123 PolarHBondContact O-N 2.91Å; V110-S123 PolarHBondContact O-OG 3.31Å; V110-N124 HydrophobicContact CB-CB 3.96Å; V110-N124 HydrophobicContact CG2-CB 3.96Å; V110-N124 PolarHBondContact N-O 3.36Å
111L98.2Very high93.9Very high1 Ų151.5 Ų51.51%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-94.1111.1176.3-51.1-179.5000108.4I10 F14 S86 V87 V89 F109 F120 F121 I122I10-L111 HydrophobicContact CG2-CD1 4.21Å; F14-L111 HydrophobicContact CB-CD1 3.65Å; F14-L111 HydrophobicContact CD1-CD1 3.82Å; F14-L111 HydrophobicContact CD1-CD2 3.82Å; F14-L111 HydrophobicContact CD1-CG 4.34Å; F14-L111 HydrophobicContact CD2-CD1 3.96Å; F14-L111 HydrophobicContact CD2-CD2 3.67Å; F14-L111 HydrophobicContact CD2-CG 4.48Å; F14-L111 HydrophobicContact CE1-CD2 3.7Å; F14-L111 HydrophobicContact CE2-CD2 3.52Å; F14-L111 HydrophobicContact CG-CD1 3.5Å; F14-L111 HydrophobicContact CG-CD2 3.82Å; F14-L111 HydrophobicContact CG-CG 4.29Å; F14-L111 HydrophobicContact CZ-CD2 3.55Å; S86-L111 CarbonylContact C-O 3.54Å; S86-L111 WeakPolarHBondContact CA-O 3.27Å; S86-L111 WeakPolarHBondContact CB-O 3.49Å; V87-L111 HydrophobicContact CB-CB 4.26Å; V87-L111 HydrophobicContact CB-CD1 4.5Å; V87-L111 PolarHBondContact N-O 3.17Å; V87-L111 PolarHBondContact O-N 3.05Å; V89-L111 HydrophobicContact CG2-CD1 4.01Å; V89-L111 HydrophobicContact CG2-CG 4.26Å; F109-L111 HydrophobicContact CB-CD2 4.25Å; L111-F120 HydrophobicContact CB-CB 4.22Å; L111-F120 HydrophobicContact CB-CD1 3.93Å; L111-F120 HydrophobicContact CB-CG 4.39Å; L111-F121 CarbonylContact C-O 3.59Å; L111-F121 WeakPolarHBondContact CA-O 3.37Å; L111-I122 HydrophobicContact CD2-CG1 4.07Å
112K97.2Very high94.1Very high64 Ų6443.9 Ų43.928%0.27829%0.291SS..EExtended strand (participates in β ladder)trans-99.1135.4179.6-174170.8170-162.20110E42 S86 A114 F120 F121E42-K112 IonicContact OE2-NZ 2.82Å; E42-K112 PolarHBondContact OE2-NZ 3.44Å; S86-K112 WeakPolarHBondContact OG-CA 3.46Å; K112-A114 PolarHBondContact O-N 2.9Å; K112-F120 VanDerWaalsContact O-CA 3.3Å; K112-F120 WeakPolarHBondContact O-CA 3.09Å; K112-F121 HydrophobicContact CB-CD1 4.36Å; K112-F121 HydrophobicContact CB-CE1 3.84Å; K112-F121 HydrophobicContact CB-CE2 4.23Å; K112-F121 HydrophobicContact CB-CZ 3.8Å; K112-F121 HydrophobicContact CD-CE1 4.18Å; K112-F121 HydrophobicContact CD-CE2 4.43Å; K112-F121 HydrophobicContact CD-CZ 3.66Å; K112-F121 HydrophobicContact CG-CE1 3.92Å; K112-F121 HydrophobicContact CG-CZ 3.89Å; K112-F121 PolarHBondContact N-O 2.81Å; K112-F121 VanDerWaalsContact O-CD1 3.26Å; K112-F121 WeakPolarHBondContact O-CD1 3.21Å; K112-F121 PolarHBondContact O-N 2.83Å
113P95.5Very high94.3Very high35 Ų3540.6 Ų40.623%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-60.9131.4174.3-19.230.2000110.3S86 S119 F120S86-P113 WeakPolarHBondContact OG-CD 3.45Å; P113-S119 WeakPolarHBondContact CA-O 3.23Å; P113-F120 HydrophobicContact CB-CE1 4.29Å; P113-F120 HydrophobicContact CG-CD1 4.27Å; P113-F120 HydrophobicContact CG-CE1 3.73Å; P113-F120 HydrophobicContact CG-CZ 4.35Å
114A92.5Very high94.5Very high19 Ų1941.4 Ų41.416%0.15728%0.276CS..PPolyproline II helixtrans-67158.8170.600000110.5K112 G116 G117 S119 F121K112-A114 PolarHBondContact O-N 2.9Å; A114-G116 PolarHBondContact O-N 2.81Å; A114-G117 PolarHBondContact O-N 2.85Å; A114-S119 WeakPolarHBondContact CB-OG 3.34Å; A114-S119 PolarHBondContact N-O 3.38Å; A114-F121 HydrophobicContact CB-CD1 4.39Å
115P86.8Confident94.6Very high130 Ų13039.2 Ų39.284%0.84426%0.26SS*.THydrogen-bonded Turntrans-50.7124.7171.7-26.234.9000111.2
116G82.4Confident94.6Very high76 Ų7643 Ų4378%0.78428%0.28SS*.THydrogen-bonded Turntrans98.5-11-174.700000115.1A114 T118A114-G116 PolarHBondContact O-N 2.81Å; G116-T118 VanDerWaalsContact C-N 3.26Å; G116-T118 PolarHBondContact O-N 2.84Å
117G80.1Confident94.6Very high54 Ų5442.3 Ų42.356%0.55727%0.273SS*.SBendtrans71.511.4168.700000115.9A114A114-G117 PolarHBondContact O-N 2.85Å
118T84Confident94.6Very high131 Ų13145.2 Ų45.280%0.80429%0.291SS*.SBendtrans-92.9-16.3-176.8540000113.9G116G116-T118 VanDerWaalsContact C-N 3.26Å; G116-T118 PolarHBondContact O-N 2.84Å
119S92.3Very high94.4Very high60 Ų6045.1 Ų45.142%0.4229%0.289SS..  trans-144.2168.1-178.156.80000110.5P113 A114P113-S119 WeakPolarHBondContact CA-O 3.23Å; A114-S119 WeakPolarHBondContact CB-OG 3.34Å; A114-S119 PolarHBondContact N-O 3.38Å
120F96.2Very high94.1Very high59 Ų5948.1 Ų48.126%0.25931%0.307SS..EExtended strand (participates in β ladder)trans-122.7150.3176.5-70.3-97.6000109.6I10 V87 L111 K112 P113I10-F120 HydrophobicContact CD1-CE2 3.95Å; I10-F120 HydrophobicContact CD1-CZ 3.92Å; I10-F120 HydrophobicContact CG2-CD2 4.25Å; I10-F120 HydrophobicContact CG2-CE2 4.16Å; I10-F120 HydrophobicContact CG2-CZ 4.41Å; V87-F120 HydrophobicContact CG2-CE1 4.35Å; L111-F120 HydrophobicContact CB-CB 4.22Å; L111-F120 HydrophobicContact CB-CD1 3.93Å; L111-F120 HydrophobicContact CB-CG 4.39Å; K112-F120 VanDerWaalsContact O-CA 3.3Å; K112-F120 WeakPolarHBondContact O-CA 3.09Å; P113-F120 HydrophobicContact CB-CE1 4.29Å; P113-F120 HydrophobicContact CG-CD1 4.27Å; P113-F120 HydrophobicContact CG-CE1 3.73Å; P113-F120 HydrophobicContact CG-CZ 4.35Å
121F97.1Very high93.3Very high18 Ų1852.3 Ų52.38%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-126.5161.4167.370.3-86.5000109.7L37 D39 E42 L111 K112 A114 S123L37-F121 CarbonylContact O-C 3.46Å; L37-F121 WeakPolarHBondContact O-CA 3.21Å; D39-F121 HydrophobicContact CB-CD2 3.62Å; D39-F121 HydrophobicContact CB-CE2 3.67Å; D39-F121 HydrophobicContact CB-CG 4.29Å; D39-F121 HydrophobicContact CB-CZ 4.39Å; E42-F121 HydrophobicContact CB-CE2 4.21Å; E42-F121 HydrophobicContact CB-CZ 4.47Å; L111-F121 CarbonylContact C-O 3.59Å; L111-F121 WeakPolarHBondContact CA-O 3.37Å; K112-F121 HydrophobicContact CB-CD1 4.36Å; K112-F121 HydrophobicContact CB-CE1 3.84Å; K112-F121 HydrophobicContact CB-CE2 4.23Å; K112-F121 HydrophobicContact CB-CZ 3.8Å; K112-F121 HydrophobicContact CD-CE1 4.18Å; K112-F121 HydrophobicContact CD-CE2 4.43Å; K112-F121 HydrophobicContact CD-CZ 3.66Å; K112-F121 HydrophobicContact CG-CE1 3.92Å; K112-F121 HydrophobicContact CG-CZ 3.89Å; K112-F121 PolarHBondContact N-O 2.81Å; K112-F121 VanDerWaalsContact O-CD1 3.26Å; K112-F121 WeakPolarHBondContact O-CD1 3.21Å; K112-F121 PolarHBondContact O-N 2.83Å; A114-F121 HydrophobicContact CB-CD1 4.39Å; F121-S123 PolarHBondContact O-N 2.83Å
122I98.5Very high91.7Very high1 Ų160.2 Ų60.21%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-82.6103.3177.9-57.5164.9000107.9F14 Y18 L37 Y38 S43 F109 L111 N124 E125F14-I122 HydrophobicContact CE2-CD1 3.93Å; F14-I122 HydrophobicContact CE2-CG1 3.78Å; F14-I122 HydrophobicContact CZ-CD1 3.58Å; F14-I122 HydrophobicContact CZ-CG1 3.61Å; Y18-I122 HydrophobicContact CD2-CD1 3.88Å; Y18-I122 HydrophobicContact CE2-CD1 3.8Å; L37-I122 HydrophobicContact CB-CD1 3.73Å; L37-I122 HydrophobicContact CB-CG1 4.24Å; L37-I122 HydrophobicContact CD1-CD1 4.18Å; L37-I122 PolarHBondContact O-N 2.86Å; Y38-I122 HydrophobicContact CD1-CB 4.02Å; Y38-I122 HydrophobicContact CD1-CD1 4.35Å; Y38-I122 HydrophobicContact CD1-CG2 4.36Å; Y38-I122 HydrophobicContact CE1-CB 3.86Å; Y38-I122 HydrophobicContact CE1-CD1 3.7Å; Y38-I122 HydrophobicContact CE1-CG1 4.41Å; Y38-I122 HydrophobicContact CE1-CG2 3.87Å; Y38-I122 HydrophobicContact CE2-CD1 4.13Å; S43-I122 WeakPolarHBondContact CB-O 3.06Å; S43-I122 PolarHBondContact OG-O 2.85Å; F109-I122 HydrophobicContact CD1-CD1 4.36Å; F109-I122 HydrophobicContact CD1-CG1 4.5Å; F109-I122 HydrophobicContact CD1-CG2 4.09Å; F109-I122 HydrophobicContact CE1-CD1 4.44Å; L111-I122 HydrophobicContact CD2-CG1 4.07Å; I122-N124 WeakPolarHBondContact CG2-O 2.84Å; I122-E125 HydrophobicContact CG2-CB 3.91Å
123S98.2Very high89.6Confident9 Ų964.8 Ų64.86%0.06339%0.392CS..EExtended strand (participates in β ladder)trans-78.7-35.1174.567.60000111.6S43 Y44 V110 F121S43-S123 WeakPolarHBondContact CA-O 3.07Å; Y44-S123 PolarHBondContact N-O 3.44Å; V110-S123 WeakPolarHBondContact CB-OG 3.12Å; V110-S123 WeakPolarHBondContact CG1-OG 3.19Å; V110-S123 PolarHBondContact O-N 2.91Å; V110-S123 PolarHBondContact O-OG 3.31Å; F121-S123 PolarHBondContact O-N 2.83Å
124N98.6Very high86.9Confident72 Ų7275 Ų7539%0.38544%0.44SS..EExtended strand (participates in β ladder)trans-139.6138.6-179.1-57.184.6000110.2Y44 F109 V110 I122Y44-N124 CarbonylContact O-C 3.6Å; Y44-N124 VanDerWaalsContact O-CA 3.31Å; Y44-N124 WeakPolarHBondContact O-CA 3.48Å; F109-N124 CarbonylContact C-O 3.59Å; F109-N124 VanDerWaalsContact CA-O 3.28Å; F109-N124 WeakPolarHBondContact CA-O 3.02Å; V110-N124 HydrophobicContact CB-CB 3.96Å; V110-N124 HydrophobicContact CG2-CB 3.96Å; V110-N124 PolarHBondContact N-O 3.36Å; I122-N124 WeakPolarHBondContact CG2-O 2.84Å
125E98.6Very high86.6Confident2 Ų277.8 Ų77.81%0.00945%0.454CS..EExtended strand (participates in β ladder)trans-141134.9175.4179177.8-17800109.6Y18 Y38 Y44 V45 T46 Y62 H107 T108 F109 I122Y18-E125 PolarHBondContact OH-OE1 3.2Å; Y38-E125 WeakPolarHBondContact CE1-OE2 3.18Å; Y38-E125 VanDerWaalsContact CZ-OE2 3.22Å; Y38-E125 PolarHBondContact OH-OE1 2.84Å; Y38-E125 PolarHBondContact OH-OE2 2.85Å; Y44-E125 PolarHBondContact O-N 3.15Å; V45-E125 CarbonylContact C-O 3.47Å; V45-E125 WeakPolarHBondContact CA-O 3.38Å; V45-E125 HydrophobicContact CG2-CB 3.94Å; V45-E125 HydrophobicContact CG2-CG 4.49Å; V45-E125 WeakPolarHBondContact CG2-OE2 3.44Å; T46-E125 PolarHBondContact N-O 2.97Å; Y62-E125 PolarHBondContact OH-OE1 2.89Å; Y62-E125 PolarHBondContact OH-OE2 3.42Å; H107-E125 IonicContact CE1-OE1 3.99Å; H107-E125 PolarHBondContact CE1-OE1 2.95Å; H107-E125 VanDerWaalsContact NE2-CG 3.3Å; H107-E125 WeakPolarHBondContact NE2-CG 3.23Å; H107-E125 IonicContact NE2-OE1 3.41Å; H107-E125 PolarHBondContact NE2-OE1 3.03Å; T108-E125 CarbonylContact O-C 3.51Å; T108-E125 VanDerWaalsContact O-CA 3.26Å; T108-E125 WeakPolarHBondContact O-CA 3.5Å; F109-E125 HydrophobicContact CD1-CB 4.21Å; F109-E125 HydrophobicContact CD1-CG 3.89Å; F109-E125 HydrophobicContact CE1-CG 3.81Å; I122-E125 HydrophobicContact CG2-CB 3.91Å
126I98.6Very high86.6Confident82 Ų8275.1 Ų75.142%0.42143%0.433SS..EExtended strand (participates in β ladder)trans-132.3115.1174.1-56.9177000107.5T46 H107 T108T46-I126 WeakPolarHBondContact O-CA 3.35Å; H107-I126 CarbonylContact C-O 3.48Å; H107-I126 WeakPolarHBondContact CA-O 3.3Å; H107-I126 PolarHBondContact CD2-O 3.33Å; T108-I126 PolarHBondContact N-O 3.12Å; T108-I126 PolarHBondContact O-N 3.04Å
127F98.1Very high86.8Confident13 Ų1375 Ų756%0.05741%0.414CS..EExtended strand (participates in β ladder)trans-112.3126.1173.7177.4-89.2000109.7T46 F47 E48 L95 Y105 H107 L129T46-F127 PolarHBondContact O-N 2.81Å; F47-F127 HydrophobicContact CD1-CD1 4.3Å; F47-F127 HydrophobicContact CD2-CB 3.77Å; F47-F127 AromaticContact CD2-CD1 3.8Å; F47-F127 HydrophobicContact CD2-CD1 3.8Å; F47-F127 AromaticContact CD2-CG 3.96Å; F47-F127 HydrophobicContact CD2-CG 3.96Å; F47-F127 AromaticContact CE1-CD1 4Å; F47-F127 HydrophobicContact CE1-CD1 4Å; F47-F127 HydrophobicContact CE1-CE1 4.22Å; F47-F127 HydrophobicContact CE2-CB 4.04Å; F47-F127 AromaticContact CE2-CD1 3.46Å; F47-F127 HydrophobicContact CE2-CD1 3.46Å; F47-F127 VanDerWaalsContact CE2-CD1 3.46Å; F47-F127 HydrophobicContact CE2-CE1 4.04Å; F47-F127 AromaticContact CE2-CG 3.73Å; F47-F127 HydrophobicContact CE2-CG 3.73Å; F47-F127 HydrophobicContact CG-CB 4.45Å; F47-F127 HydrophobicContact CG-CD1 4.21Å; F47-F127 AromaticContact CZ-CD1 3.57Å; F47-F127 HydrophobicContact CZ-CD1 3.57Å; F47-F127 AromaticContact CZ-CE1 3.74Å; F47-F127 HydrophobicContact CZ-CE1 3.74Å; F47-F127 HydrophobicContact CZ-CG 4.29Å; E48-F127 HydrophobicContact CG-CD1 4.35Å; E48-F127 HydrophobicContact CG-CE1 4.36Å; E48-F127 PolarHBondContact N-O 3.22Å; L95-F127 HydrophobicContact CD2-CE2 4Å; L95-F127 HydrophobicContact CD2-CZ 3.65Å; Y105-F127 HydrophobicContact CD2-CD2 4.33Å; Y105-F127 AromaticContact CD2-CE2 3.76Å; Y105-F127 HydrophobicContact CD2-CE2 3.76Å; Y105-F127 HydrophobicContact CG-CE2 4.07Å; H107-F127 HydrophobicContact CB-CD2 4.27Å; H107-F127 AromaticContact CG-CD2 3.91Å; H107-F127 AromaticContact ND1-CD2 3.88Å; F127-L129 HydrophobicContact CE1-CD2 4.31Å; F127-L129 HydrophobicContact CE1-CG 4.11Å; F127-L129 HydrophobicContact CZ-CD2 4.04Å; F127-L129 HydrophobicContact CZ-CG 4.34Å
128T96.9Very high87.2Confident63 Ų6376.2 Ų76.239%0.38741%0.406SS..EExtended strand (participates in β ladder)trans-142.6127.2178.8-53.60000110.8E48 Y105 S106E48-T128 VanDerWaalsContact OE1-CA 3.23Å; E48-T128 WeakPolarHBondContact OE1-CA 3.18Å; Y105-T128 WeakPolarHBondContact CA-O 3.32Å; S106-T128 PolarHBondContact N-O 2.94Å; S106-T128 PolarHBondContact O-N 2.86Å
129L95.6Very high87.4Confident34 Ų3472.8 Ų72.818%0.17838%0.381CS..EExtended strand (participates in β ladder)trans-68.5130.2165.5-67.2169.6000109.1E48 L95 Q103 F127 L131E48-L129 WeakPolarHBondContact OE1-CG 3.36Å; E48-L129 PolarHBondContact OE1-N 3.2Å; L95-L129 HydrophobicContact CD1-CD2 4.28Å; L95-L129 HydrophobicContact CD2-CD2 3.95Å; L95-L129 HydrophobicContact CG-CD2 4.34Å; Q103-L129 HydrophobicContact CB-CD2 4.07Å; Q103-L129 VanDerWaalsContact OE1-CD1 3.27Å; F127-L129 HydrophobicContact CE1-CD2 4.31Å; F127-L129 HydrophobicContact CE1-CG 4.11Å; F127-L129 HydrophobicContact CZ-CD2 4.04Å; F127-L129 HydrophobicContact CZ-CG 4.34Å; L129-L131 HydrophobicContact CB-CG 4.26Å; L129-L131 PolarHBondContact O-N 2.81Å
130V91.3Very high87.1Confident64 Ų6473.7 Ų73.739%0.38838%0.378SS..  trans-82.380.7175.7-176.40000107.4S104S104-V130 PolarHBondContact O-N 3.03Å
131L82.1Confident86.4Confident112 Ų11274.7 Ų74.759%0.58639%0.387SS*.  trans-86.2117167.3-59.3177.8000107.4L129 N133L129-L131 HydrophobicContact CB-CG 4.26Å; L129-L131 PolarHBondContact O-N 2.81Å; L131-N133 PolarHBondContact O-N 3.39Å
132H64.9Low85.6Confident166 Ų16679.1 Ų79.177%0.76941%0.41SS*.  trans-68.4104165.6-68.6-67.3000107.4M134H132-M134 VanDerWaalsContact C-N 3.28Å; H132-M134 PolarHBondContact O-N 3.15Å
133N53.3Low84.5Confident161 Ų16185.6 Ų85.686%0.86144%0.444SS*.  trans-65.8100.3153.5-77.90.7000105.6L131L131-N133 PolarHBondContact O-N 3.39Å
134M37.9Very low83.3Confident249 Ų24992.5 Ų92.5100%1.22748%0.479SS*.  trans-69.10158.3-70.4-163.7-63.500109.3H132H132-M134 VanDerWaalsContact C-N 3.28Å; H132-M134 PolarHBondContact O-N 3.15Å

Retrieved 134 of 134 residues in 399.6 ms (Link to these results)

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