Q15ES0_SCHMA Loading...

Nuclear transport factor 2

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

AlphaFold DB , UniProt , Accession Q15ES0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 129 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
1M79.2Confident89.5Confident243 Ų243104.8 Ų104.8100%1.19753%0.533SS*.  0142.90-84.9-175.7-88.400108.1
2L83.6Confident90.2Very high118 Ų118107.3 Ų107.362%0.61853%0.531SS*.  trans-65.2137.5172.5-67.6171.4000109.4
3N86.4Confident90.8Very high90 Ų90108.3 Ų108.348%0.48153%0.533SS..  trans-97.192.7175.7-171.58000110.2S5 L6N3-S5 PolarHBondContact ND2-OG 3.43Å; N3-S5 PolarHBondContact O-N 3.16Å; N3-S5 VanDerWaalsContact O-N 3.17Å; N3-S5 PolarHBondContact OD1-N 3.25Å; N3-S5 PolarHBondContact OD1-OG 2.83Å; N3-L6 HydrophobicContact CB-CD1 4.12Å; N3-L6 HydrophobicContact CB-CG 4.28Å; N3-L6 PolarHBondContact O-N 3.42Å; N3-L6 VanDerWaalsContact O-N 3.16Å
4H87.1Confident91.2Very high122 Ų122103.7 Ų103.757%0.56551%0.511SS*.G310 helixtrans-61.9-21.5-177.5-60.9-64.1000113.8L6 Y7H4-L6 PolarHBondContact O-N 3.17Å; H4-Y7 HydrophobicContact CB-CD2 4.24Å; H4-Y7 HydrophobicContact CB-CE2 4.15Å; H4-Y7 AromaticContact CG-CE2 3.97Å; H4-Y7 AromaticContact ND1-CD2 3.96Å; H4-Y7 AromaticContact ND1-CE2 3.05Å; H4-Y7 WeakPolarHBondContact ND1-CE2 3.35Å; H4-Y7 AromaticContact ND1-CZ 3.3Å; H4-Y7 VanDerWaalsContact ND1-CZ 3.3Å; H4-Y7 PolarHBondContact ND1-OH 3.22Å; H4-Y7 WeakPolarHBondContact O-CB 3.05Å; H4-Y7 PolarHBondContact O-N 3.47Å
5S88.6Confident91.7Very high97 Ų9796.8 Ų96.868%0.67848%0.477SS*.G310 helixtrans-69.6-13.9177.968.80000113.7N3N3-S5 PolarHBondContact ND2-OG 3.43Å; N3-S5 PolarHBondContact O-N 3.16Å; N3-S5 VanDerWaalsContact O-N 3.17Å; N3-S5 PolarHBondContact OD1-N 3.25Å; N3-S5 PolarHBondContact OD1-OG 2.83Å
6L90.1Very high92.1Very high81 Ų8196.9 Ų96.942%0.42448%0.476SS..G310 helixtrans-82.8-15.4175.3-64.5178.7000113N3 H4 E81N3-L6 HydrophobicContact CB-CD1 4.12Å; N3-L6 HydrophobicContact CB-CG 4.28Å; N3-L6 PolarHBondContact O-N 3.42Å; N3-L6 VanDerWaalsContact O-N 3.16Å; H4-L6 PolarHBondContact O-N 3.17Å; L6-E81 CarbonylContact C-O 3.22Å; L6-E81 HydrophobicContact CB-CB 4.38Å; L6-E81 HydrophobicContact CD1-CB 4.27Å; L6-E81 HydrophobicContact CD1-CG 4.3Å; L6-E81 CarbonylContact O-C 3.57Å; L6-E81 VanDerWaalsContact O-C 3.31Å
7Y93.9Very high92.4Very high53 Ų5394.2 Ų94.221%0.20847%0.469CS..SBendtrans-61.8135.7-175.2-66.4-7.4000111.2H4 E9 P79 E81H4-Y7 HydrophobicContact CB-CD2 4.24Å; H4-Y7 HydrophobicContact CB-CE2 4.15Å; H4-Y7 AromaticContact CG-CE2 3.97Å; H4-Y7 AromaticContact ND1-CD2 3.96Å; H4-Y7 AromaticContact ND1-CE2 3.05Å; H4-Y7 WeakPolarHBondContact ND1-CE2 3.35Å; H4-Y7 AromaticContact ND1-CZ 3.3Å; H4-Y7 VanDerWaalsContact ND1-CZ 3.3Å; H4-Y7 PolarHBondContact ND1-OH 3.22Å; H4-Y7 WeakPolarHBondContact O-CB 3.05Å; H4-Y7 PolarHBondContact O-N 3.47Å; Y7-E9 PolarHBondContact O-N 3.2Å; Y7-P79 HydrophobicContact CD1-CB 3.78Å; Y7-P79 HydrophobicContact CD1-CG 4.19Å; Y7-P79 HydrophobicContact CD2-CB 3.64Å; Y7-P79 HydrophobicContact CD2-CG 3.31Å; Y7-P79 HydrophobicContact CE1-CB 4.19Å; Y7-P79 HydrophobicContact CE1-CG 4.24Å; Y7-P79 HydrophobicContact CE2-CB 4.05Å; Y7-P79 HydrophobicContact CE2-CG 3.36Å; Y7-P79 HydrophobicContact CG-CB 3.48Å; Y7-P79 VanDerWaalsContact CG-CB 3.48Å; Y7-P79 HydrophobicContact CG-CG 3.74Å; Y7-E81 VanDerWaalsContact CA-O 3.3Å; Y7-E81 WeakPolarHBondContact CA-O 3.22Å; Y7-E81 PolarHBondContact N-O 2.97Å
8P93Very high92.8Very high15 Ų1590.1 Ų90.110%0.09745%0.448CS..PPolyproline II helixtrans-56.1131.4170.1-26.235.9000111.2N10 Y11 I14 E81 V84 F115P8-N10 PolarHBondContact O-N 3.19Å; P8-Y11 WeakPolarHBondContact O-CB 3.35Å; P8-Y11 PolarHBondContact O-N 3.44Å; P8-I14 HydrophobicContact CB-CD1 4.19Å; P8-E81 WeakPolarHBondContact CD-O 3.47Å; P8-V84 HydrophobicContact CB-CG2 4.4Å; P8-V84 HydrophobicContact CG-CG2 4Å; P8-F115 HydrophobicContact CB-CE1 4.34Å; P8-F115 HydrophobicContact CB-CZ 3.82Å; P8-F115 HydrophobicContact CG-CE1 3.94Å; P8-F115 HydrophobicContact CG-CZ 3.87Å
9E92Very high93.1Very high169 Ų16985.5 Ų85.579%0.7943%0.425SS*.THydrogen-bonded Turntrans-55.5137.7166.8-67-179.4-178.500109.3Y7 Y11 I14Y7-E9 PolarHBondContact O-N 3.2Å; E9-Y11 PolarHBondContact O-N 3.27Å; E9-I14 WeakPolarHBondContact O-CD1 3.21Å
10N94.2Very high93.3Very high112 Ų11287.6 Ų87.660%0.59944%0.435SS*.THydrogen-bonded Turntrans56.329.7179.8-52.2-40.2000114.6P8 R12 Q13 I14P8-N10 PolarHBondContact O-N 3.19Å; N10-R12 PolarHBondContact O-N 2.8Å; N10-Q13 HydrophobicContact CB-CB 4.33Å; N10-Q13 PolarHBondContact O-N 3.25Å; N10-I14 PolarHBondContact O-N 3.35Å
11Y96.5Very high93.5Very high53 Ų5389 Ų8921%0.20844%0.441CS..Hα-helixtrans-47.7-35.3-179.867.2-92.1000114.2P8 E9 I14 G15 V77 P79P8-Y11 WeakPolarHBondContact O-CB 3.35Å; P8-Y11 PolarHBondContact O-N 3.44Å; E9-Y11 PolarHBondContact O-N 3.27Å; Y11-I14 PolarHBondContact O-N 2.84Å; Y11-G15 PolarHBondContact O-N 3.31Å; Y11-V77 HydrophobicContact CD2-CG1 4.1Å; Y11-V77 WeakPolarHBondContact O-CG1 3.22Å; Y11-P79 HydrophobicContact CD1-CB 3.83Å; Y11-P79 HydrophobicContact CD1-CG 3.97Å; Y11-P79 HydrophobicContact CD2-CB 4.01Å; Y11-P79 HydrophobicContact CD2-CG 4.08Å; Y11-P79 HydrophobicContact CE1-CB 4.18Å; Y11-P79 HydrophobicContact CE1-CG 3.78Å; Y11-P79 HydrophobicContact CE2-CB 4.38Å; Y11-P79 HydrophobicContact CE2-CG 3.93Å; Y11-P79 HydrophobicContact CG-CB 3.74Å; Y11-P79 HydrophobicContact CG-CG 4.12Å
12R97.5Very high94.5Very high135 Ų13577.4 Ų77.451%0.50938%0.384SS..Hα-helixtrans-61.5-52.8176.4-66.2-172.6-176.5-93.2-5.4111.7N10 I14 G15 E16N10-R12 PolarHBondContact O-N 2.8Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 2.8Å; R12-G15 PolarHBondContact O-N 2.89Å; R12-G15 VanDerWaalsContact O-N 3.16Å; R12-E16 WeakPolarHBondContact O-CG 3.3Å; R12-E16 PolarHBondContact O-N 2.85Å
13Q97.9Very high95.2Very high120 Ų12072 Ų7256%0.56136%0.355SS*.Hα-helixtrans-62.4-39.6178.4-173.5-179.76.200111.5N10 S17N10-Q13 HydrophobicContact CB-CB 4.33Å; N10-Q13 PolarHBondContact O-N 3.25Å; Q13-S17 VanDerWaalsContact O-CB 3.22Å; Q13-S17 WeakPolarHBondContact O-CB 3.34Å; Q13-S17 PolarHBondContact O-N 3.01Å; Q13-S17 PolarHBondContact O-OG 2.98Å
14I97.3Very high95.7Very high44 Ų4471.2 Ų71.223%0.22635%0.351CS..Hα-helixtrans-57.7-50174.1-66.8169.2000110P8 E9 N10 Y11 R12 S17 F18 V84 F115P8-I14 HydrophobicContact CB-CD1 4.19Å; E9-I14 WeakPolarHBondContact O-CD1 3.21Å; N10-I14 PolarHBondContact O-N 3.35Å; Y11-I14 PolarHBondContact O-N 2.84Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 2.8Å; I14-S17 PolarHBondContact O-N 3.29Å; I14-F18 VanDerWaalsContact O-CB 3.25Å; I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 2.91Å; I14-V84 HydrophobicContact CG2-CG2 4.32Å; I14-F115 HydrophobicContact CD1-CE2 3.79Å; I14-F115 HydrophobicContact CD1-CZ 3.99Å; I14-F115 HydrophobicContact CG2-CD2 4.11Å; I14-F115 HydrophobicContact CG2-CE2 4.31Å; I14-F115 HydrophobicContact CG2-CG 4.23Å
15G98.2Very high96.2Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-65-46.2-178.900000113.4Y11 R12 S17 F18 V19Y11-G15 PolarHBondContact O-N 3.31Å; R12-G15 PolarHBondContact O-N 2.89Å; R12-G15 VanDerWaalsContact O-N 3.16Å; G15-S17 PolarHBondContact O-N 3.16Å; G15-F18 PolarHBondContact O-N 3.41Å; G15-V19 WeakPolarHBondContact O-CG2 3.15Å; G15-V19 PolarHBondContact O-N 3.45Å
16E98.1Very high96.6Very high99 Ų9962.4 Ų62.446%0.46330%0.3SS..Hα-helixtrans-61.3-43.7177.2-71.2167.2179.900111.9R12 V19 M20 V77R12-E16 WeakPolarHBondContact O-CG 3.3Å; R12-E16 PolarHBondContact O-N 2.85Å; E16-V19 PolarHBondContact O-N 3.18Å; E16-M20 WeakPolarHBondContact O-CG 3.37Å; E16-M20 PolarHBondContact O-N 2.85Å; E16-V77 HydrophobicContact CG-CG2 4.42Å
17S97.9Very high96.9Very high50 Ų5062.2 Ų62.235%0.3530%0.297SS..Hα-helixtrans-67.8-42.1179.6-53.50000111.6Q13 I14 G15 V19 M20 E21Q13-S17 VanDerWaalsContact O-CB 3.22Å; Q13-S17 WeakPolarHBondContact O-CB 3.34Å; Q13-S17 PolarHBondContact O-N 3.01Å; Q13-S17 PolarHBondContact O-OG 2.98Å; I14-S17 PolarHBondContact O-N 3.29Å; G15-S17 PolarHBondContact O-N 3.16Å; S17-V19 VanDerWaalsContact C-N 3.35Å; S17-V19 PolarHBondContact O-N 3.32Å; S17-M20 PolarHBondContact O-N 3.05Å; S17-E21 PolarHBondContact O-N 2.76Å
18F98.3Very high97Very high20 Ų2066.7 Ų66.79%0.08831%0.314CS..Hα-helixtrans-57.3-46.8174.1163.9-90.8000111.6I14 G15 M20 E21 Y22 F36 I86 F106 L108 I117I14-F18 VanDerWaalsContact O-CB 3.25Å; I14-F18 WeakPolarHBondContact O-CB 3.5Å; I14-F18 PolarHBondContact O-N 2.91Å; G15-F18 PolarHBondContact O-N 3.41Å; F18-M20 VanDerWaalsContact C-N 3.34Å; F18-M20 PolarHBondContact O-N 2.91Å; F18-E21 PolarHBondContact O-N 3Å; F18-Y22 HydrophobicContact CE2-CD2 4.4Å; F18-Y22 AromaticContact CZ-CD2 4Å; F18-Y22 HydrophobicContact CZ-CD2 4Å; F18-Y22 HydrophobicContact CZ-CG 4.14Å; F18-Y22 WeakPolarHBondContact O-CB 3.09Å; F18-Y22 PolarHBondContact O-N 2.94Å; F18-F36 HydrophobicContact CD2-CD1 4.24Å; F18-F36 AromaticContact CE2-CD1 3.8Å; F18-F36 HydrophobicContact CE2-CD1 3.8Å; F18-I86 HydrophobicContact CB-CD1 4.5Å; F18-I86 HydrophobicContact CD1-CD1 3.53Å; F18-I86 HydrophobicContact CE1-CD1 4.13Å; F18-I86 HydrophobicContact CG-CD1 4.26Å; F18-F106 HydrophobicContact CE1-CB 4.1Å; F18-F106 AromaticContact CE1-CD1 3.92Å; F18-F106 HydrophobicContact CE1-CD1 3.92Å; F18-F106 AromaticContact CE1-CD2 3.84Å; F18-F106 HydrophobicContact CE1-CD2 3.84Å; F18-F106 HydrophobicContact CE1-CE1 4.25Å; F18-F106 HydrophobicContact CE1-CE2 4.19Å; F18-F106 AromaticContact CE1-CG 3.68Å; F18-F106 HydrophobicContact CE1-CG 3.68Å; F18-F106 HydrophobicContact CE1-CZ 4.35Å; F18-F106 AromaticContact CZ-CD1 3.87Å; F18-F106 HydrophobicContact CZ-CD1 3.87Å; F18-F106 HydrophobicContact CZ-CE1 4.18Å; F18-F106 HydrophobicContact CZ-CG 4.09Å; F18-L108 HydrophobicContact CB-CD1 3.86Å; F18-L108 HydrophobicContact CD1-CD1 3.9Å; F18-L108 HydrophobicContact CD1-CD2 4.28Å; F18-L108 HydrophobicContact CD2-CD1 3.79Å; F18-L108 HydrophobicContact CD2-CD2 3.87Å; F18-L108 HydrophobicContact CD2-CG 4.49Å; F18-L108 HydrophobicContact CE1-CD1 4.46Å; F18-L108 HydrophobicContact CE1-CD2 4.03Å; F18-L108 HydrophobicContact CE2-CD1 4.35Å; F18-L108 HydrophobicContact CE2-CD2 3.56Å; F18-L108 HydrophobicContact CG-CD1 3.55Å; F18-L108 HydrophobicContact CG-CD2 4.23Å; F18-L108 HydrophobicContact CG-CG 4.46Å; F18-L108 HydrophobicContact CZ-CD2 3.67Å; F18-I117 HydrophobicContact CE2-CD1 3.94Å; F18-I117 HydrophobicContact CE2-CG1 3.8Å; F18-I117 HydrophobicContact CZ-CD1 3.64Å; F18-I117 HydrophobicContact CZ-CG1 3.67Å
19V98.6Very high97.2Very high3 Ų368.8 Ų68.82%0.01832%0.324CS..Hα-helixtrans-59.7-46.1-179.7166.80000110.7G15 E16 S17 E21 Y22 Y23 I72 V75 I86 V88G15-V19 WeakPolarHBondContact O-CG2 3.15Å; G15-V19 PolarHBondContact O-N 3.45Å; E16-V19 PolarHBondContact O-N 3.18Å; S17-V19 VanDerWaalsContact C-N 3.35Å; S17-V19 PolarHBondContact O-N 3.32Å; V19-E21 PolarHBondContact O-N 3.21Å; V19-Y22 PolarHBondContact O-N 2.81Å; V19-Y23 HydrophobicContact CG1-CD2 3.76Å; V19-Y23 HydrophobicContact CG1-CE2 3.86Å; V19-Y23 VanDerWaalsContact O-CD2 3.22Å; V19-Y23 WeakPolarHBondContact O-CD2 3.48Å; V19-Y23 PolarHBondContact O-N 2.86Å; V19-Y23 VanDerWaalsContact O-N 3.1Å; V19-I72 HydrophobicContact CG1-CD1 4.34Å; V19-I72 HydrophobicContact CG1-CG1 4.29Å; V19-I72 HydrophobicContact CG1-CG2 4.48Å; V19-V75 HydrophobicContact CG1-CG2 3.92Å; V19-V75 HydrophobicContact CG2-CG1 3.96Å; V19-I86 HydrophobicContact CG2-CG2 3.64Å; V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG2 3.64Å
20M97.8Very high97.3Very high127 Ų12763.2 Ų63.263%0.62630%0.296SS*.Hα-helixtrans-59.3-48.9177-68.5-173.2-66.800111.7E16 S17 F18 D24E16-M20 WeakPolarHBondContact O-CG 3.37Å; E16-M20 PolarHBondContact O-N 2.85Å; S17-M20 PolarHBondContact O-N 3.05Å; F18-M20 VanDerWaalsContact C-N 3.34Å; F18-M20 PolarHBondContact O-N 2.91Å; M20-D24 WeakPolarHBondContact O-CB 3.34Å; M20-D24 PolarHBondContact O-N 3.02Å
21E98.1Very high97.3Very high117 Ų11760.7 Ų60.755%0.54729%0.287SS..Hα-helixtrans-66.9-40.1-178.1-169.6-179.6173.900112.7S17 F18 V19 T25 F36S17-E21 PolarHBondContact O-N 2.76Å; F18-E21 PolarHBondContact O-N 3Å; V19-E21 PolarHBondContact O-N 3.21Å; E21-T25 VanDerWaalsContact O-CB 3.29Å; E21-T25 WeakPolarHBondContact O-CB 3.17Å; E21-T25 PolarHBondContact O-N 2.85Å; E21-T25 PolarHBondContact O-OG1 2.88Å; E21-F36 HydrophobicContact CB-CE1 4.43Å; E21-F36 HydrophobicContact CG-CE1 4.06Å; E21-F36 HydrophobicContact CG-CZ 4.01Å
22Y98.7Very high97.3Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-63-52.2179.1179.2-96.6000111.3F18 V19 T25 M26 L33 F36 Y37 E104 F106 I117F18-Y22 HydrophobicContact CE2-CD2 4.4Å; F18-Y22 AromaticContact CZ-CD2 4Å; F18-Y22 HydrophobicContact CZ-CD2 4Å; F18-Y22 HydrophobicContact CZ-CG 4.14Å; F18-Y22 WeakPolarHBondContact O-CB 3.09Å; F18-Y22 PolarHBondContact O-N 2.94Å; V19-Y22 PolarHBondContact O-N 2.81Å; Y22-T25 PolarHBondContact O-N 2.85Å; Y22-M26 HydrophobicContact CD1-CE 4.37Å; Y22-M26 HydrophobicContact CE1-CE 3.51Å; Y22-M26 PolarHBondContact O-N 3.35Å; Y22-L33 HydrophobicContact CD2-CD2 3.86Å; Y22-L33 HydrophobicContact CE2-CD2 3.78Å; Y22-L33 HydrophobicContact CG-CD2 4.4Å; Y22-F36 HydrophobicContact CD2-CB 4.31Å; Y22-F36 HydrophobicContact CD2-CD1 4.09Å; Y22-F36 HydrophobicContact CD2-CG 4.06Å; Y22-Y37 HydrophobicContact CE2-CE2 4.02Å; Y22-Y37 PolarHBondContact OH-OH 3.5Å; Y22-Y37 VanDerWaalsContact OH-OH 3.06Å; Y22-E104 PolarHBondContact OH-OE1 3.06Å; Y22-F106 HydrophobicContact CD1-CE1 4.23Å; Y22-F106 AromaticContact CD1-CZ 3.77Å; Y22-F106 HydrophobicContact CD1-CZ 3.77Å; Y22-F106 AromaticContact CE1-CE1 3.73Å; Y22-F106 HydrophobicContact CE1-CE1 3.73Å; Y22-F106 AromaticContact CE1-CZ 3.42Å; Y22-F106 HydrophobicContact CE1-CZ 3.42Å; Y22-F106 VanDerWaalsContact CE1-CZ 3.42Å; Y22-F106 HydrophobicContact CE2-CE1 4.06Å; Y22-F106 HydrophobicContact CG-CZ 4.44Å; Y22-F106 AromaticContact CZ-CE1 3.62Å; Y22-F106 AromaticContact CZ-CZ 3.84Å; Y22-I117 HydrophobicContact CD2-CD1 4.22Å; Y22-I117 HydrophobicContact CE2-CD1 3.91Å
23Y98.2Very high97.3Very high6 Ų653.5 Ų53.52%0.02427%0.265CS..Hα-helixtrans-75.1-29.5-178.9-69.8-68.1000113.1V19 T25 M26 Q27 V70 I72 V88 F102 E104 F106V19-Y23 HydrophobicContact CG1-CD2 3.76Å; V19-Y23 HydrophobicContact CG1-CE2 3.86Å; V19-Y23 VanDerWaalsContact O-CD2 3.22Å; V19-Y23 WeakPolarHBondContact O-CD2 3.48Å; V19-Y23 PolarHBondContact O-N 2.86Å; V19-Y23 VanDerWaalsContact O-N 3.1Å; Y23-T25 VanDerWaalsContact C-N 3.34Å; Y23-M26 HydrophobicContact CD1-CE 4.26Å; Y23-M26 HydrophobicContact CD1-SD 3.95Å; Y23-M26 HydrophobicContact CE1-CE 4.19Å; Y23-M26 HydrophobicContact CE1-SD 4.23Å; Y23-M26 PolarHBondContact O-N 2.79Å; Y23-Q27 WeakPolarHBondContact O-CG 3.39Å; Y23-Q27 PolarHBondContact O-N 2.9Å; Y23-Q27 VanDerWaalsContact O-N 3.12Å; Y23-Q27 PolarHBondContact O-NE2 3.13Å; Y23-V70 HydrophobicContact CD1-CB 4.17Å; Y23-V70 HydrophobicContact CD1-CG1 3.7Å; Y23-V70 HydrophobicContact CD1-CG2 3.99Å; Y23-V70 HydrophobicContact CE1-CG1 4.19Å; Y23-V70 HydrophobicContact CG-CB 4.49Å; Y23-V70 HydrophobicContact CG-CG1 3.93Å; Y23-I72 HydrophobicContact CD2-CD1 3.45Å; Y23-I72 VanDerWaalsContact CD2-CD1 3.45Å; Y23-I72 HydrophobicContact CD2-CG1 4.26Å; Y23-I72 HydrophobicContact CE2-CD1 3.61Å; Y23-I72 HydrophobicContact CG-CD1 4Å; Y23-V88 HydrophobicContact CE2-CG1 3.89Å; Y23-V88 HydrophobicContact CE2-CG2 4.33Å; Y23-F102 HydrophobicContact CE1-CE2 4.11Å; Y23-F102 AromaticContact CE1-CZ 3.97Å; Y23-F102 HydrophobicContact CE1-CZ 3.97Å; Y23-F102 AromaticContact CZ-CE2 3.82Å; Y23-F102 AromaticContact CZ-CZ 3.89Å; Y23-F102 VanDerWaalsContact OH-CE2 3.31Å; Y23-F102 WeakPolarHBondContact OH-CE2 3.43Å; Y23-E104 WeakPolarHBondContact OH-CB 3.43Å; Y23-E104 PolarHBondContact OH-OE2 2.97Å; Y23-F106 HydrophobicContact CE2-CE2 4.47Å
24D98Very high97.3Very high72 Ų7251.4 Ų51.439%0.38525%0.254SS..Hα-helixtrans-63-43.7168.8178.253.4000110.7M20 Q27 R28M20-D24 WeakPolarHBondContact O-CB 3.34Å; M20-D24 PolarHBondContact O-N 3.02Å; D24-Q27 PolarHBondContact O-N 2.84Å; D24-R28 WeakPolarHBondContact O-CB 3.27Å; D24-R28 WeakPolarHBondContact O-CG 3.42Å; D24-R28 PolarHBondContact O-N 3.41Å; D24-R28 IonicContact OD1-NE 3.64Å; D24-R28 PolarHBondContact OD1-NE 3.48Å; D24-R28 VanDerWaalsContact OD1-NE 3.17Å; D24-R28 IonicContact OD2-CZ 2.66Å; D24-R28 IonicContact OD2-NE 3.17Å; D24-R28 PolarHBondContact OD2-NE 2.92Å; D24-R28 IonicContact OD2-NH2 2.77Å; D24-R28 PolarHBondContact OD2-NH2 3.5Å
25T98Very high97.3Very high11 Ų1154.5 Ų54.57%0.06727%0.27CS..Hα-helixtrans-65.3-39.8174.5-57.70000112.2E21 Y22 Y23 Q27 R28 D29 L33 F36E21-T25 VanDerWaalsContact O-CB 3.29Å; E21-T25 WeakPolarHBondContact O-CB 3.17Å; E21-T25 PolarHBondContact O-N 2.85Å; E21-T25 PolarHBondContact O-OG1 2.88Å; Y22-T25 PolarHBondContact O-N 2.85Å; Y23-T25 VanDerWaalsContact C-N 3.34Å; T25-Q27 VanDerWaalsContact C-N 3.25Å; T25-Q27 PolarHBondContact O-N 3.16Å; T25-R28 PolarHBondContact O-N 2.7Å; T25-R28 PolarHBondContact OG1-NH2 2.66Å; T25-D29 CarbonylContact O-C 3.53Å; T25-D29 VanDerWaalsContact O-C 3.22Å; T25-D29 PolarHBondContact O-N 2.92Å; T25-L33 HydrophobicContact CG2-CD2 4.17Å; T25-L33 HydrophobicContact CG2-CG 4.49Å; T25-F36 HydrophobicContact CG2-CE2 3.87Å; T25-F36 HydrophobicContact CG2-CZ 4.39Å
26M97.1Very high97.3Very high24 Ų2455.9 Ų55.912%0.11828%0.276CS..Hα-helixtrans-57.4-39.8175.6-179.1176.1-70.600112.4Y22 Y23 R30 L33 F60 I68 V70Y22-M26 HydrophobicContact CD1-CE 4.37Å; Y22-M26 HydrophobicContact CE1-CE 3.51Å; Y22-M26 PolarHBondContact O-N 3.35Å; Y23-M26 HydrophobicContact CD1-CE 4.26Å; Y23-M26 HydrophobicContact CD1-SD 3.95Å; Y23-M26 HydrophobicContact CE1-CE 4.19Å; Y23-M26 HydrophobicContact CE1-SD 4.23Å; Y23-M26 PolarHBondContact O-N 2.79Å; M26-R30 VanDerWaalsContact O-CG 3.23Å; M26-R30 WeakPolarHBondContact O-CG 3.43Å; M26-L33 HydrophobicContact CB-CD1 3.87Å; M26-L33 HydrophobicContact CB-CD2 4.11Å; M26-L33 HydrophobicContact CB-CG 4.42Å; M26-L33 HydrophobicContact CE-CD1 3.99Å; M26-L33 HydrophobicContact CG-CD1 3.94Å; M26-F60 HydrophobicContact CE-CE1 4.39Å; M26-I68 HydrophobicContact CG-CG2 4.5Å; M26-I68 HydrophobicContact SD-CG2 4.46Å; M26-V70 HydrophobicContact SD-CG2 4.31Å
27Q96.5Very high97.3Very high76 Ų7651.2 Ų51.236%0.35526%0.255SS..Hα-helixtrans-77.7-28.9-179.1-65.7173.895.500112.6Y23 D24 T25 I68 V70Y23-Q27 WeakPolarHBondContact O-CG 3.39Å; Y23-Q27 PolarHBondContact O-N 2.9Å; Y23-Q27 VanDerWaalsContact O-N 3.12Å; Y23-Q27 PolarHBondContact O-NE2 3.13Å; D24-Q27 PolarHBondContact O-N 2.84Å; T25-Q27 VanDerWaalsContact C-N 3.25Å; T25-Q27 PolarHBondContact O-N 3.16Å; Q27-I68 WeakPolarHBondContact CG-O 3.48Å; Q27-V70 HydrophobicContact CG-CG2 4.46Å
28R96.2Very high97.3Very high148 Ų14850.8 Ų50.856%0.55825%0.247SC*.Hα-helixtrans-94-46.2-177.7-70.1-173.2-69.187.13.5114.6D24 T25D24-R28 WeakPolarHBondContact O-CB 3.27Å; D24-R28 WeakPolarHBondContact O-CG 3.42Å; D24-R28 PolarHBondContact O-N 3.41Å; D24-R28 IonicContact OD1-NE 3.64Å; D24-R28 PolarHBondContact OD1-NE 3.48Å; D24-R28 VanDerWaalsContact OD1-NE 3.17Å; D24-R28 IonicContact OD2-CZ 2.66Å; D24-R28 IonicContact OD2-NE 3.17Å; D24-R28 PolarHBondContact OD2-NE 2.92Å; D24-R28 IonicContact OD2-NH2 2.77Å; D24-R28 PolarHBondContact OD2-NH2 3.5Å; T25-R28 PolarHBondContact O-N 2.7Å; T25-R28 PolarHBondContact OG1-NH2 2.66Å
29D95.7Very high97.3Very high58 Ų5855.2 Ų55.231%0.3127%0.272SS..  trans-153.291-173.9178.216000112T25 S31 S32T25-D29 CarbonylContact O-C 3.53Å; T25-D29 VanDerWaalsContact O-C 3.22Å; T25-D29 PolarHBondContact O-N 2.92Å; D29-S31 PolarHBondContact O-N 3.35Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 2.89Å; D29-S31 PolarHBondContact OD1-OG 2.9Å; D29-S31 PolarHBondContact OD2-OG 2.86Å; D29-S32 PolarHBondContact O-N 3.01Å; D29-S32 VanDerWaalsContact OD2-CB 3.28Å; D29-S32 WeakPolarHBondContact OD2-CB 3.47Å; D29-S32 PolarHBondContact OD2-OG 2.97Å
30R94.5Very high97.3Very high52 Ų5262.7 Ų62.720%0.19631%0.307CS..G310 helixtrans-62.2-24.7176.5-64.9-173.7-64.9173.6-4.4113.7M26 S32 L33 L63 A65M26-R30 VanDerWaalsContact O-CG 3.23Å; M26-R30 WeakPolarHBondContact O-CG 3.43Å; R30-S32 PolarHBondContact O-N 3.02Å; R30-L33 WeakPolarHBondContact O-CB 3.22Å; R30-L33 PolarHBondContact O-N 2.89Å; R30-L63 PolarHBondContact NH1-O 2.86Å; R30-A65 VanDerWaalsContact CZ-O 3.24Å; R30-A65 PolarHBondContact NH1-O 2.91Å; R30-A65 PolarHBondContact NH2-O 2.77Å
31S94.6Very high97.3Very high59 Ų5956.7 Ų56.741%0.41328%0.277SS..G310 helixtrans-68.7-28.3-178.677.40000112D29D29-S31 PolarHBondContact O-N 3.35Å; D29-S31 WeakPolarHBondContact OD1-CB 3.34Å; D29-S31 PolarHBondContact OD1-N 2.89Å; D29-S31 PolarHBondContact OD1-OG 2.9Å; D29-S31 PolarHBondContact OD2-OG 2.86Å
32S96.8Very high97.3Very high38 Ų3857 Ų5727%0.26627%0.273SS..G310 helixtrans-82.9-13.5177.4-70.10000113.9D29 R30 K34 L35D29-S32 PolarHBondContact O-N 3.01Å; D29-S32 VanDerWaalsContact OD2-CB 3.28Å; D29-S32 WeakPolarHBondContact OD2-CB 3.47Å; D29-S32 PolarHBondContact OD2-OG 2.97Å; R30-S32 PolarHBondContact O-N 3.02Å; S32-K34 PolarHBondContact O-N 3.04Å; S32-K34 VanDerWaalsContact O-N 3.17Å; S32-L35 VanDerWaalsContact O-CB 3.28Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 WeakPolarHBondContact O-CG 3.39Å; S32-L35 PolarHBondContact O-N 3.19Å
33L97.3Very high97.3Very high0 Ų057.1 Ų57.10%027%0.273CS..G310 helixtrans-58.5-32.4-179.1-80.9177.8000113.4Y22 T25 M26 R30 L35 F36 Y37 F60Y22-L33 HydrophobicContact CD2-CD2 3.86Å; Y22-L33 HydrophobicContact CE2-CD2 3.78Å; Y22-L33 HydrophobicContact CG-CD2 4.4Å; T25-L33 HydrophobicContact CG2-CD2 4.17Å; T25-L33 HydrophobicContact CG2-CG 4.49Å; M26-L33 HydrophobicContact CB-CD1 3.87Å; M26-L33 HydrophobicContact CB-CD2 4.11Å; M26-L33 HydrophobicContact CB-CG 4.42Å; M26-L33 HydrophobicContact CE-CD1 3.99Å; M26-L33 HydrophobicContact CG-CD1 3.94Å; R30-L33 WeakPolarHBondContact O-CB 3.22Å; R30-L33 PolarHBondContact O-N 2.89Å; L33-L35 PolarHBondContact O-N 2.8Å; L33-L35 VanDerWaalsContact O-N 3.11Å; L33-F36 HydrophobicContact CD2-CD2 4.43Å; L33-F36 HydrophobicContact CD2-CE2 4.48Å; L33-F36 WeakPolarHBondContact O-CB 3.34Å; L33-F36 WeakPolarHBondContact O-CD2 3.36Å; L33-F36 PolarHBondContact O-N 3.34Å; L33-F36 VanDerWaalsContact O-N 3.12Å; L33-Y37 WeakPolarHBondContact O-CD2 3.22Å; L33-F60 HydrophobicContact CB-CD2 3.66Å; L33-F60 HydrophobicContact CB-CE2 3.69Å; L33-F60 HydrophobicContact CB-CG 4.19Å; L33-F60 HydrophobicContact CB-CZ 4.27Å; L33-F60 HydrophobicContact CD1-CD1 3.7Å; L33-F60 HydrophobicContact CD1-CD2 4.13Å; L33-F60 HydrophobicContact CD1-CE1 3.83Å; L33-F60 HydrophobicContact CD1-CE2 4.22Å; L33-F60 HydrophobicContact CD1-CG 3.89Å; L33-F60 HydrophobicContact CD1-CZ 4.09Å
34K97.4Very high97.4Very high76 Ų7658.3 Ų58.333%0.3328%0.282SS..G310 helixtrans-58.6-26177.672.8178.7-176.1169.40112.7S32 F36 Y37 Q53S32-K34 PolarHBondContact O-N 3.04Å; S32-K34 VanDerWaalsContact O-N 3.17Å; K34-F36 PolarHBondContact O-N 2.86Å; K34-Y37 WeakPolarHBondContact O-CB 3.25Å; K34-Y37 PolarHBondContact O-N 3.43Å; K34-Q53 HydrophobicContact CB-CG 3.94Å; K34-Q53 HydrophobicContact CG-CG 4.35Å; K34-Q53 VanDerWaalsContact O-CG 3.27Å; K34-Q53 WeakPolarHBondContact O-CG 3.44Å; K34-Q53 PolarHBondContact O-NE2 2.9Å; K34-Q53 VanDerWaalsContact O-NE2 3.08Å
35L97.4Very high97.4Very high108 Ų10857 Ų5757%0.56527%0.272SS*.G310 helixtrans-68.3-20.1-179.5-58.8176.8000113.2S32 L33 Y37S32-L35 VanDerWaalsContact O-CB 3.28Å; S32-L35 WeakPolarHBondContact O-CB 3.31Å; S32-L35 WeakPolarHBondContact O-CG 3.39Å; S32-L35 PolarHBondContact O-N 3.19Å; L33-L35 PolarHBondContact O-N 2.8Å; L33-L35 VanDerWaalsContact O-N 3.11Å; L35-Y37 PolarHBondContact O-N 3.1Å
36F98.2Very high97.3Very high29 Ų2959.5 Ų59.513%0.12728%0.282CS..G310 helixtrans-73.5-18.7173.4-68.3-104.1000112.2F18 E21 Y22 T25 L33 K34 L116 I117F18-F36 HydrophobicContact CD2-CD1 4.24Å; F18-F36 AromaticContact CE2-CD1 3.8Å; F18-F36 HydrophobicContact CE2-CD1 3.8Å; E21-F36 HydrophobicContact CB-CE1 4.43Å; E21-F36 HydrophobicContact CG-CE1 4.06Å; E21-F36 HydrophobicContact CG-CZ 4.01Å; Y22-F36 HydrophobicContact CD2-CB 4.31Å; Y22-F36 HydrophobicContact CD2-CD1 4.09Å; Y22-F36 HydrophobicContact CD2-CG 4.06Å; T25-F36 HydrophobicContact CG2-CE2 3.87Å; T25-F36 HydrophobicContact CG2-CZ 4.39Å; L33-F36 HydrophobicContact CD2-CD2 4.43Å; L33-F36 HydrophobicContact CD2-CE2 4.48Å; L33-F36 WeakPolarHBondContact O-CB 3.34Å; L33-F36 WeakPolarHBondContact O-CD2 3.36Å; L33-F36 PolarHBondContact O-N 3.34Å; L33-F36 VanDerWaalsContact O-N 3.12Å; K34-F36 PolarHBondContact O-N 2.86Å; F36-L116 WeakPolarHBondContact O-CA 3.39Å; F36-I117 HydrophobicContact CB-CD1 3.71Å; F36-I117 HydrophobicContact CB-CG1 4.43Å; F36-I117 WeakPolarHBondContact O-CG1 3.33Å; F36-I117 PolarHBondContact O-N 3.3Å
37Y98.5Very high97.2Very high1 Ų159.9 Ų59.90%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-94.5141.2-175.4-72.1-96.6000111.8Y22 L33 K34 L35 A41 M43 Q53 I56 F60 I117 S120Y22-Y37 HydrophobicContact CE2-CE2 4.02Å; Y22-Y37 PolarHBondContact OH-OH 3.5Å; Y22-Y37 VanDerWaalsContact OH-OH 3.06Å; L33-Y37 WeakPolarHBondContact O-CD2 3.22Å; K34-Y37 WeakPolarHBondContact O-CB 3.25Å; K34-Y37 PolarHBondContact O-N 3.43Å; L35-Y37 PolarHBondContact O-N 3.1Å; Y37-A41 HydrophobicContact CD1-CB 3.76Å; Y37-A41 HydrophobicContact CG-CB 4.4Å; Y37-M43 HydrophobicContact CE1-CB 4.37Å; Y37-Q53 PolarHBondContact O-NE2 3.5Å; Y37-I56 HydrophobicContact CD1-CD1 3.62Å; Y37-I56 HydrophobicContact CD1-CG2 4.16Å; Y37-I56 HydrophobicContact CD2-CG2 3.84Å; Y37-I56 HydrophobicContact CE1-CD1 4.07Å; Y37-I56 HydrophobicContact CE1-CG2 4.18Å; Y37-I56 HydrophobicContact CE2-CG2 3.89Å; Y37-I56 HydrophobicContact CG-CD1 4.13Å; Y37-I56 HydrophobicContact CG-CG2 3.98Å; Y37-F60 HydrophobicContact CD2-CE2 4.3Å; Y37-F60 AromaticContact CE2-CE2 3.67Å; Y37-F60 HydrophobicContact CE2-CE2 3.67Å; Y37-F60 AromaticContact CE2-CZ 3.78Å; Y37-F60 HydrophobicContact CE2-CZ 3.78Å; Y37-I117 HydrophobicContact CD1-CB 3.75Å; Y37-I117 HydrophobicContact CD1-CD1 4.14Å; Y37-I117 HydrophobicContact CD1-CG2 3.7Å; Y37-I117 HydrophobicContact CD2-CD1 3.83Å; Y37-I117 HydrophobicContact CE1-CB 3.95Å; Y37-I117 HydrophobicContact CE1-CD1 3.88Å; Y37-I117 HydrophobicContact CE1-CG2 3.5Å; Y37-I117 VanDerWaalsContact CE1-CG2 3.5Å; Y37-I117 HydrophobicContact CE2-CD1 3.53Å; Y37-I117 HydrophobicContact CG-CB 4.17Å; Y37-I117 HydrophobicContact CG-CD1 4.12Å; Y37-S120 WeakPolarHBondContact CE1-OG 3.44Å; Y37-S120 PolarHBondContact OH-OG 2.83Å
38H98.2Very high97.2Very high42 Ų4260.8 Ų60.819%0.19430%0.3CS..EExtended strand (participates in β ladder)trans-65.7152.7167.9-177.1-101.1000110.9Q40 A41 F111 L116 I117 T118H38-Q40 PolarHBondContact ND1-N 3.39Å; H38-Q40 VanDerWaalsContact ND1-N 3.16Å; H38-Q40 PolarHBondContact O-N 2.82Å; H38-A41 HydrophobicContact CB-CB 4.31Å; H38-A41 WeakPolarHBondContact O-CB 3.26Å; H38-A41 PolarHBondContact O-N 3.27Å; H38-F111 HydrophobicContact CB-CE2 4.4Å; H38-F111 AromaticContact CD2-CE2 3.88Å; H38-F111 AromaticContact CD2-CZ 3.78Å; H38-F111 AromaticContact NE2-CE1 4Å; H38-L116 HydrophobicContact CB-CB 4.1Å; H38-L116 HydrophobicContact CB-CD1 4.38Å; H38-I117 WeakPolarHBondContact CB-O 3.28Å; H38-I117 PolarHBondContact N-O 2.85Å; H38-T118 HydrophobicContact CB-CG2 4.45Å
39N97.8Very high97.3Very high112 Ų11258.2 Ų58.260%0.59930%0.301SS*.EExtended strand (participates in β ladder)trans-56.8-29-178.6-70.3-6.9000113.8G52 Q53N39-G52 VanDerWaalsContact O-CA 3.32Å; N39-G52 WeakPolarHBondContact O-CA 3.37Å; N39-Q53 PolarHBondContact O-N 3.47Å
40Q97.7Very high97.5Very high161 Ų16157 Ų5775%0.75229%0.294SS*.EExtended strand (participates in β ladder)trans-107.622.8177.4-60.3178.9-41.200112.7H38H38-Q40 PolarHBondContact ND1-N 3.39Å; H38-Q40 VanDerWaalsContact ND1-N 3.16Å; H38-Q40 PolarHBondContact O-N 2.82Å
41A98.6Very high97.7Very high0 Ų060.3 Ų60.30%031%0.311CS..EExtended strand (participates in β ladder)trans-67.5159.1-179.600000112.1Y37 H38 G52 I56 I117 T118Y37-A41 HydrophobicContact CD1-CB 3.76Å; Y37-A41 HydrophobicContact CG-CB 4.4Å; H38-A41 HydrophobicContact CB-CB 4.31Å; H38-A41 WeakPolarHBondContact O-CB 3.26Å; H38-A41 PolarHBondContact O-N 3.27Å; A41-G52 PolarHBondContact O-N 3.02Å; A41-I56 HydrophobicContact CB-CD1 4.02Å; A41-I117 VanDerWaalsContact CB-O 3.27Å; A41-I117 WeakPolarHBondContact CB-O 3.22Å; A41-T118 CarbonylContact C-O 3.43Å; A41-T118 WeakPolarHBondContact CA-O 3.48Å
42R98.8Very high97.8Very high125 Ų12558.3 Ų58.347%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-120.1134174-59.8177-65.9-166.6-3109.2L50 E51 T118 D119 S120R42-L50 CarbonylContact C-O 3.58Å; R42-L50 VanDerWaalsContact CA-O 3.29Å; R42-L50 WeakPolarHBondContact CA-O 3.48Å; R42-E51 HydrophobicContact CG-CG 4.17Å; R42-T118 PolarHBondContact N-O 3.39Å; R42-D119 IonicContact CZ-OD1 3.11Å; R42-D119 IonicContact NE-OD1 2.79Å; R42-D119 PolarHBondContact NE-OD1 3.46Å; R42-D119 IonicContact NH2-OD1 2.66Å; R42-D119 PolarHBondContact NH2-OD1 3.02Å; R42-D119 IonicContact NH2-OD2 3.69Å; R42-D119 CarbonylContact O-C 3.5Å; R42-D119 VanDerWaalsContact O-CA 3.26Å; R42-D119 WeakPolarHBondContact O-CA 3.39Å; R42-S120 PolarHBondContact O-N 3.26Å
43M98.8Very high97.9Very high1 Ų158.3 Ų58.31%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-124.8128173178.1170.174.700108.6Y37 L50 I56 K59 F60 S120Y37-M43 HydrophobicContact CE1-CB 4.37Å; M43-L50 HydrophobicContact CB-CB 4.49Å; M43-L50 HydrophobicContact CE-CD1 3.36Å; M43-L50 PolarHBondContact N-O 2.82Å; M43-L50 PolarHBondContact O-N 3.06Å; M43-I56 HydrophobicContact CB-CD1 3.91Å; M43-I56 HydrophobicContact CB-CG1 3.88Å; M43-I56 HydrophobicContact CE-CB 4.33Å; M43-I56 HydrophobicContact CE-CG1 4.31Å; M43-I56 HydrophobicContact CE-CG2 3.88Å; M43-I56 HydrophobicContact SD-CG2 4.09Å; M43-K59 HydrophobicContact CE-CB 3.87Å; M43-K59 HydrophobicContact CE-CG 3.74Å; M43-F60 HydrophobicContact CE-CZ 4.36Å; M43-F60 HydrophobicContact SD-CE1 4.25Å; M43-F60 HydrophobicContact SD-CZ 3.85Å; M43-S120 CarbonylContact C-O 3.57Å; M43-S120 WeakPolarHBondContact CA-O 3.4Å; M43-S120 VanDerWaalsContact CG-OG 3.31Å; M43-S120 WeakPolarHBondContact CG-OG 3.23Å
44T98.7Very high97.9Very high32 Ų3263.5 Ų63.520%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-100.3112.3164.5-55.20000108.2D48 V49 S120 M121 F122T44-D48 CarbonylContact C-O 3.52Å; T44-D48 WeakPolarHBondContact CA-O 3.28Å; T44-V49 HydrophobicContact CG2-CG2 4.39Å; T44-S120 PolarHBondContact N-O 3.03Å; T44-M121 CarbonylContact O-C 3.59Å; T44-M121 WeakPolarHBondContact O-CA 3.33Å; T44-F122 PolarHBondContact O-N 2.91Å
45Y97.9Very high97.9Very high45 Ų4565.4 Ų65.418%0.17633%0.333CS..EExtended strand (participates in β ladder)trans-113114177.8-176.5-82.9000109.2G47 D48 L63 F122Y45-G47 PolarHBondContact O-N 2.88Å; Y45-D48 PolarHBondContact N-O 2.82Å; Y45-D48 WeakPolarHBondContact O-CB 3.15Å; Y45-D48 PolarHBondContact O-N 2.83Å; Y45-L63 HydrophobicContact CE1-CD2 3.87Å; Y45-L63 HydrophobicContact CE2-CD1 4.47Å; Y45-L63 HydrophobicContact CE2-CD2 4.3Å; Y45-L63 WeakPolarHBondContact OH-CD2 3.27Å; Y45-F122 HydrophobicContact CD2-CB 4.11Å; Y45-F122 AromaticContact CD2-CD1 3.73Å; Y45-F122 HydrophobicContact CD2-CD1 3.73Å; Y45-F122 HydrophobicContact CD2-CE1 4.48Å; Y45-F122 HydrophobicContact CD2-CG 4.08Å; Y45-F122 AromaticContact CE2-CD1 3.5Å; Y45-F122 HydrophobicContact CE2-CD1 3.5Å; Y45-F122 VanDerWaalsContact CE2-CD1 3.5Å; Y45-F122 AromaticContact CE2-CE1 3.8Å; Y45-F122 HydrophobicContact CE2-CE1 3.8Å; Y45-F122 HydrophobicContact CE2-CG 4.07Å; Y45-F122 HydrophobicContact CG-CD1 4.45Å
46E96.2Very high98Very high62 Ų6260.3 Ų60.329%0.2931%0.306SS..THydrogen-bonded Turntrans53.223.3-176.4-67.7-59.1113.300113.7F122 R123 L124E46-F122 PolarHBondContact N-O 2.84Å; E46-F122 VanDerWaalsContact N-O 3.11Å; E46-R123 PolarHBondContact O-NH1 3.44Å; E46-R123 WeakPolarHBondContact OE1-CA 3.16Å; E46-L124 PolarHBondContact OE1-N 2.72Å
47G95.5Very high98Very high33 Ų3359.2 Ų59.234%0.3430%0.302SS..THydrogen-bonded Turntrans98.2-11.4179.500000114.6Y45 V49 R123Y45-G47 PolarHBondContact O-N 2.88Å; G47-V49 PolarHBondContact O-N 2.9Å; G47-R123 VanDerWaalsContact N-CZ 3.28Å; G47-R123 VanDerWaalsContact N-NH1 3.13Å
48D97.3Very high98Very high95 Ų9565.2 Ų65.251%0.50833%0.331SS..EExtended strand (participates in β ladder)trans-78.2117.8171.5-62.3-30.9000109.4T44 Y45 K59T44-D48 CarbonylContact C-O 3.52Å; T44-D48 WeakPolarHBondContact CA-O 3.28Å; Y45-D48 PolarHBondContact N-O 2.82Å; Y45-D48 WeakPolarHBondContact O-CB 3.15Å; Y45-D48 PolarHBondContact O-N 2.83Å; D48-K59 IonicContact OD2-NZ 3.11Å
49V98.3Very high97.9Very high94 Ų9465.1 Ų65.157%0.5733%0.33SS*.EExtended strand (participates in β ladder)trans-87.8124.6177.7-176.10000109.9T44 G47 E51T44-V49 HydrophobicContact CG2-CG2 4.39Å; G47-V49 PolarHBondContact O-N 2.9Å; V49-E51 HydrophobicContact CG1-CG 4.47Å
50L98.5Very high97.9Very high32 Ų3260 Ų6017%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-117.7133.5178.2-62.2155.4000108.4R42 M43 K55 I56 K59R42-L50 CarbonylContact C-O 3.58Å; R42-L50 VanDerWaalsContact CA-O 3.29Å; R42-L50 WeakPolarHBondContact CA-O 3.48Å; M43-L50 HydrophobicContact CB-CB 4.49Å; M43-L50 HydrophobicContact CE-CD1 3.36Å; M43-L50 PolarHBondContact N-O 2.82Å; M43-L50 PolarHBondContact O-N 3.06Å; L50-K55 HydrophobicContact CD2-CB 4.23Å; L50-I56 HydrophobicContact CB-CG1 4.17Å; L50-K59 HydrophobicContact CD1-CB 3.53Å; L50-K59 HydrophobicContact CD1-CD 4.17Å; L50-K59 HydrophobicContact CD1-CG 3.59Å
51E98.3Very high97.8Very high121 Ų12157.5 Ų57.557%0.56529%0.293SS*.EExtended strand (participates in β ladder)trans-121.6128.9177.8-55.6-166.3153.500110.2R42 V49 K55R42-E51 HydrophobicContact CG-CG 4.17Å; V49-E51 HydrophobicContact CG1-CG 4.47Å; E51-K55 WeakPolarHBondContact O-CD 3.49Å
52G98.2Very high97.7Very high18 Ų1861.2 Ų61.219%0.18632%0.319CS..SBendtrans94.6147179.200000114N39 A41 D54 K55 I56N39-G52 VanDerWaalsContact O-CA 3.32Å; N39-G52 WeakPolarHBondContact O-CA 3.37Å; A41-G52 PolarHBondContact O-N 3.02Å; G52-D54 VanDerWaalsContact C-N 3.28Å; G52-D54 PolarHBondContact O-N 3.32Å; G52-K55 PolarHBondContact O-N 3.45Å; G52-I56 WeakPolarHBondContact O-CG1 3.5Å; G52-I56 PolarHBondContact O-N 2.93Å
53Q97.9Very high97.5Very high38 Ų3856.6 Ų56.618%0.17830%0.304CS..Hα-helixtrans-58-36.8-174.4-174.1-176.781.900113.2K34 Y37 N39 I56 G57K34-Q53 HydrophobicContact CB-CG 3.94Å; K34-Q53 HydrophobicContact CG-CG 4.35Å; K34-Q53 VanDerWaalsContact O-CG 3.27Å; K34-Q53 WeakPolarHBondContact O-CG 3.44Å; K34-Q53 PolarHBondContact O-NE2 2.9Å; K34-Q53 VanDerWaalsContact O-NE2 3.08Å; Y37-Q53 PolarHBondContact O-NE2 3.5Å; N39-Q53 PolarHBondContact O-N 3.47Å; Q53-I56 PolarHBondContact O-N 2.98Å; Q53-G57 PolarHBondContact O-N 3.06Å
54D97.7Very high97.1Very high109 Ų10962.6 Ų62.658%0.58334%0.343SS*.Hα-helixtrans-66-50-178.4-68.3-32.3000112.1G52 I56 G57 E58G52-D54 VanDerWaalsContact C-N 3.28Å; G52-D54 PolarHBondContact O-N 3.32Å; D54-I56 VanDerWaalsContact C-N 3.27Å; D54-I56 PolarHBondContact O-N 3.26Å; D54-G57 PolarHBondContact O-N 2.76Å; D54-G57 VanDerWaalsContact O-N 3.1Å; D54-E58 WeakPolarHBondContact O-CG 3.39Å; D54-E58 PolarHBondContact O-N 2.67Å
55K98.4Very high96.8Very high116 Ų11661.4 Ų61.450%0.50434%0.336SS..Hα-helixtrans-62.3-36177.7-66.7-171.1-174.9172.40112.2L50 E51 G52 K59L50-K55 HydrophobicContact CD2-CB 4.23Å; E51-K55 WeakPolarHBondContact O-CD 3.49Å; G52-K55 PolarHBondContact O-N 3.45Å; K55-K59 PolarHBondContact O-N 2.82Å
56I98.6Very high96.6Very high0 Ų066.5 Ų66.50%037%0.366CS..Hα-helixtrans-64.6-45.4174.6-67.9172.6000110.2Y37 A41 M43 L50 G52 Q53 D54 K59 F60Y37-I56 HydrophobicContact CD1-CD1 3.62Å; Y37-I56 HydrophobicContact CD1-CG2 4.16Å; Y37-I56 HydrophobicContact CD2-CG2 3.84Å; Y37-I56 HydrophobicContact CE1-CD1 4.07Å; Y37-I56 HydrophobicContact CE1-CG2 4.18Å; Y37-I56 HydrophobicContact CE2-CG2 3.89Å; Y37-I56 HydrophobicContact CG-CD1 4.13Å; Y37-I56 HydrophobicContact CG-CG2 3.98Å; A41-I56 HydrophobicContact CB-CD1 4.02Å; M43-I56 HydrophobicContact CB-CD1 3.91Å; M43-I56 HydrophobicContact CB-CG1 3.88Å; M43-I56 HydrophobicContact CE-CB 4.33Å; M43-I56 HydrophobicContact CE-CG1 4.31Å; M43-I56 HydrophobicContact CE-CG2 3.88Å; M43-I56 HydrophobicContact SD-CG2 4.09Å; L50-I56 HydrophobicContact CB-CG1 4.17Å; G52-I56 WeakPolarHBondContact O-CG1 3.5Å; G52-I56 PolarHBondContact O-N 2.93Å; Q53-I56 PolarHBondContact O-N 2.98Å; D54-I56 VanDerWaalsContact C-N 3.27Å; D54-I56 PolarHBondContact O-N 3.26Å; I56-K59 WeakPolarHBondContact O-CB 3.48Å; I56-K59 PolarHBondContact O-N 3.06Å; I56-F60 HydrophobicContact CG2-CD2 4.04Å; I56-F60 HydrophobicContact CG2-CE2 3.45Å; I56-F60 VanDerWaalsContact CG2-CE2 3.45Å; I56-F60 HydrophobicContact CG2-CZ 4.18Å; I56-F60 VanDerWaalsContact O-CD2 3.26Å; I56-F60 WeakPolarHBondContact O-CD2 3.47Å; I56-F60 PolarHBondContact O-N 2.81Å; I56-F60 VanDerWaalsContact O-N 3.13Å
57G97.8Very high96.5Very high6 Ų669 Ų696%0.06238%0.376CS..Hα-helixtrans-60.5-45.4174.800000113Q53 D54 K59 F60 L61Q53-G57 PolarHBondContact O-N 3.06Å; D54-G57 PolarHBondContact O-N 2.76Å; D54-G57 VanDerWaalsContact O-N 3.1Å; G57-K59 VanDerWaalsContact C-N 3.29Å; G57-K59 PolarHBondContact O-N 2.86Å; G57-F60 PolarHBondContact O-N 2.85Å; G57-L61 WeakPolarHBondContact O-CG 3.21Å; G57-L61 PolarHBondContact O-N 2.83Å; G57-L61 VanDerWaalsContact O-N 3.13Å
58E98Very high96.6Very high127 Ų12768 Ų6859%0.59336%0.363SS*.Hα-helixtrans-57.6-42.1174.1-72.2171.2-176.300111.5D54 F60 L61 S62D54-E58 WeakPolarHBondContact O-CG 3.39Å; D54-E58 PolarHBondContact O-N 2.67Å; E58-F60 PolarHBondContact O-N 2.8Å; E58-L61 PolarHBondContact O-N 3.3Å; E58-S62 WeakPolarHBondContact O-CB 3.46Å; E58-S62 PolarHBondContact O-N 3.47Å; E58-S62 PolarHBondContact O-OG 2.91Å
59K97.8Very high96.6Very high41 Ų4167 Ų6718%0.17836%0.355CS..Hα-helixtrans-58.7-49.5176.1-178.862.2164.7-171.80111.4M43 D48 L50 K55 I56 G57 L61 S62 L63M43-K59 HydrophobicContact CE-CB 3.87Å; M43-K59 HydrophobicContact CE-CG 3.74Å; D48-K59 IonicContact OD2-NZ 3.11Å; L50-K59 HydrophobicContact CD1-CB 3.53Å; L50-K59 HydrophobicContact CD1-CD 4.17Å; L50-K59 HydrophobicContact CD1-CG 3.59Å; K55-K59 PolarHBondContact O-N 2.82Å; I56-K59 WeakPolarHBondContact O-CB 3.48Å; I56-K59 PolarHBondContact O-N 3.06Å; G57-K59 VanDerWaalsContact C-N 3.29Å; G57-K59 PolarHBondContact O-N 2.86Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 2.8Å; K59-S62 WeakPolarHBondContact CA-OG 3.17Å; K59-S62 PolarHBondContact O-N 2.61Å; K59-S62 VanDerWaalsContact O-N 3.08Å; K59-S62 PolarHBondContact O-OG 2.98Å; K59-L63 PolarHBondContact O-N 3.12Å
60F97.1Very high96.6Very high4 Ų463.6 Ų63.62%0.01834%0.335CS..Hα-helixtrans-59.7-38.3179.3-70-53.3000113M26 L33 Y37 M43 I56 G57 E58 S62 L63M26-F60 HydrophobicContact CE-CE1 4.39Å; L33-F60 HydrophobicContact CB-CD2 3.66Å; L33-F60 HydrophobicContact CB-CE2 3.69Å; L33-F60 HydrophobicContact CB-CG 4.19Å; L33-F60 HydrophobicContact CB-CZ 4.27Å; L33-F60 HydrophobicContact CD1-CD1 3.7Å; L33-F60 HydrophobicContact CD1-CD2 4.13Å; L33-F60 HydrophobicContact CD1-CE1 3.83Å; L33-F60 HydrophobicContact CD1-CE2 4.22Å; L33-F60 HydrophobicContact CD1-CG 3.89Å; L33-F60 HydrophobicContact CD1-CZ 4.09Å; Y37-F60 HydrophobicContact CD2-CE2 4.3Å; Y37-F60 AromaticContact CE2-CE2 3.67Å; Y37-F60 HydrophobicContact CE2-CE2 3.67Å; Y37-F60 AromaticContact CE2-CZ 3.78Å; Y37-F60 HydrophobicContact CE2-CZ 3.78Å; M43-F60 HydrophobicContact CE-CZ 4.36Å; M43-F60 HydrophobicContact SD-CE1 4.25Å; M43-F60 HydrophobicContact SD-CZ 3.85Å; I56-F60 HydrophobicContact CG2-CD2 4.04Å; I56-F60 HydrophobicContact CG2-CE2 3.45Å; I56-F60 VanDerWaalsContact CG2-CE2 3.45Å; I56-F60 HydrophobicContact CG2-CZ 4.18Å; I56-F60 VanDerWaalsContact O-CD2 3.26Å; I56-F60 WeakPolarHBondContact O-CD2 3.47Å; I56-F60 PolarHBondContact O-N 2.81Å; I56-F60 VanDerWaalsContact O-N 3.13Å; G57-F60 PolarHBondContact O-N 2.85Å; E58-F60 PolarHBondContact O-N 2.8Å; F60-S62 VanDerWaalsContact C-N 3.35Å; F60-L63 HydrophobicContact CD1-CD1 4.4Å
61L95.7Very high96.6Very high109 Ų10964 Ų6457%0.57135%0.346SS*.Hα-helixtrans-72.6-27.6176.7-65.2177000112.9G57 E58 K59 L63G57-L61 WeakPolarHBondContact O-CG 3.21Å; G57-L61 PolarHBondContact O-N 2.83Å; G57-L61 VanDerWaalsContact O-N 3.13Å; E58-L61 PolarHBondContact O-N 3.3Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 2.8Å; L61-L63 VanDerWaalsContact C-N 3.33Å
62S96.1Very high96.6Very high77 Ų7761.4 Ų61.454%0.53834%0.336SS..Hα-helixtrans-78.3-12.5178.574.50000114.5E58 K59 F60E58-S62 WeakPolarHBondContact O-CB 3.46Å; E58-S62 PolarHBondContact O-N 3.47Å; E58-S62 PolarHBondContact O-OG 2.91Å; K59-S62 WeakPolarHBondContact CA-OG 3.17Å; K59-S62 PolarHBondContact O-N 2.61Å; K59-S62 VanDerWaalsContact O-N 3.08Å; K59-S62 PolarHBondContact O-OG 2.98Å; F60-S62 VanDerWaalsContact C-N 3.35Å
63L94.3Very high96.5Very high28 Ų2864.7 Ų64.715%0.14735%0.352CS..SBendtrans-65.8123.5-179.5-65.9178.2000110.5R30 Y45 K59 F60 L61 A65R30-L63 PolarHBondContact NH1-O 2.86Å; Y45-L63 HydrophobicContact CE1-CD2 3.87Å; Y45-L63 HydrophobicContact CE2-CD1 4.47Å; Y45-L63 HydrophobicContact CE2-CD2 4.3Å; Y45-L63 WeakPolarHBondContact OH-CD2 3.27Å; K59-L63 PolarHBondContact O-N 3.12Å; F60-L63 HydrophobicContact CD1-CD1 4.4Å; L61-L63 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.66Å
64P90.9Very high96.5Very high128 Ų12867.3 Ų67.383%0.83137%0.367SS*.  trans-81.362.2-172.435.7-38000111.9
65A92.5Very high96.6Very high6 Ų664.2 Ų64.25%0.0535%0.352CS..  trans-135.6133.6176.300000109R30 L63 I68 C94R30-A65 VanDerWaalsContact CZ-O 3.24Å; R30-A65 PolarHBondContact NH1-O 2.91Å; R30-A65 PolarHBondContact NH2-O 2.77Å; L63-A65 PolarHBondContact O-N 2.66Å; A65-I68 HydrophobicContact CB-CD1 4.34Å; A65-I68 HydrophobicContact CB-CG1 3.84Å; A65-C94 HydrophobicContact CB-CB 3.86Å
66N93.5Very high96.6Very high152 Ų15263 Ų6381%0.81335%0.351SS*.SBendtrans-81.9-39.8173.7-59.5-73.1000110.8D95N66-D95 WeakPolarHBondContact CA-OD1 3.22Å; N66-D95 WeakPolarHBondContact CB-OD1 3.46Å; N66-D95 PolarHBondContact N-OD1 2.86Å; N66-D95 PolarHBondContact N-OD2 3.12Å; N66-D95 PolarHBondContact ND2-OD2 3.3Å
67K95.4Very high96.6Very high115 Ų11563.3 Ų63.350%0.535%0.353SS..  trans-125.4133.6177-170.7-177.5-175.3-164.30109Q69 D95K67-Q69 HydrophobicContact CD-CG 4.4Å; K67-Q69 HydrophobicContact CG-CG 4.42Å; K67-D95 PolarHBondContact N-OD1 2.84Å; K67-D95 PolarHBondContact O-N 2.91Å
68I96.7Very high96.6Very high11 Ų1168.2 Ų68.26%0.05637%0.374CS..EExtended strand (participates in β ladder)trans-114.7136.6169.1-58.6-177000106.6M26 Q27 A65 V70 V92 Q93M26-I68 HydrophobicContact CG-CG2 4.5Å; M26-I68 HydrophobicContact SD-CG2 4.46Å; Q27-I68 WeakPolarHBondContact CG-O 3.48Å; A65-I68 HydrophobicContact CB-CD1 4.34Å; A65-I68 HydrophobicContact CB-CG1 3.84Å; I68-V70 HydrophobicContact CG2-CG2 3.95Å; I68-V92 HydrophobicContact CG2-CG2 3.81Å; I68-Q93 CarbonylContact C-O 3.52Å; I68-Q93 WeakPolarHBondContact CA-O 3.26Å
69Q97.8Very high96.5Very high76 Ų7663.1 Ų63.136%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-123.1133.6169.8-65.5179.457.900108.6K67 V92 Q93K67-Q69 HydrophobicContact CD-CG 4.4Å; K67-Q69 HydrophobicContact CG-CG 4.42Å; Q69-V92 CarbonylContact O-C 3.59Å; Q69-V92 WeakPolarHBondContact O-CA 3.34Å; Q69-Q93 HydrophobicContact CB-CB 4.39Å; Q69-Q93 PolarHBondContact N-O 3.45Å; Q69-Q93 PolarHBondContact O-N 3Å
70V97.9Very high96.4Very high22 Ų2264.2 Ų64.213%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-125.9125.4-177.7177.20000109.8Y23 M26 Q27 I68 I72 Q91 V92 F102Y23-V70 HydrophobicContact CD1-CB 4.17Å; Y23-V70 HydrophobicContact CD1-CG1 3.7Å; Y23-V70 HydrophobicContact CD1-CG2 3.99Å; Y23-V70 HydrophobicContact CE1-CG1 4.19Å; Y23-V70 HydrophobicContact CG-CB 4.49Å; Y23-V70 HydrophobicContact CG-CG1 3.93Å; M26-V70 HydrophobicContact SD-CG2 4.31Å; Q27-V70 HydrophobicContact CG-CG2 4.46Å; I68-V70 HydrophobicContact CG2-CG2 3.95Å; V70-I72 HydrophobicContact CG1-CD1 3.58Å; V70-I72 HydrophobicContact CG1-CG1 4.42Å; V70-Q91 WeakPolarHBondContact CA-O 3.31Å; V70-V92 HydrophobicContact CG2-CG2 4.19Å; V70-F102 HydrophobicContact CG1-CE1 3.78Å; V70-F102 HydrophobicContact CG1-CZ 3.83Å
71G97.5Very high96.1Very high39 Ų3969 Ų6940%0.40238%0.382SS..EExtended strand (participates in β ladder)trans-107.4116.6168.500000110.3G90 Q91G71-G90 CarbonylContact O-C 3.22Å; G71-G90 WeakPolarHBondContact O-CA 3.29Å; G71-Q91 PolarHBondContact N-O 3.29Å; G71-Q91 PolarHBondContact O-N 3.11Å
72I98.3Very high96Very high68 Ų6866.8 Ų66.835%0.34937%0.371SS..EExtended strand (participates in β ladder)trans-82.5130.2176.7-53.6-57.2000109.8V19 Y23 V70 V75 V88 F102V19-I72 HydrophobicContact CG1-CD1 4.34Å; V19-I72 HydrophobicContact CG1-CG1 4.29Å; V19-I72 HydrophobicContact CG1-CG2 4.48Å; Y23-I72 HydrophobicContact CD2-CD1 3.45Å; Y23-I72 VanDerWaalsContact CD2-CD1 3.45Å; Y23-I72 HydrophobicContact CD2-CG1 4.26Å; Y23-I72 HydrophobicContact CE2-CD1 3.61Å; Y23-I72 HydrophobicContact CG-CD1 4Å; V70-I72 HydrophobicContact CG1-CD1 3.58Å; V70-I72 HydrophobicContact CG1-CG1 4.42Å; I72-V75 HydrophobicContact CG2-CG2 3.51Å; I72-V88 HydrophobicContact CD1-CG1 3.79Å; I72-V88 HydrophobicContact CG2-CG1 4.18Å; I72-F102 HydrophobicContact CD1-CZ 4.11Å
73T97.6Very high96Very high87 Ų8763.1 Ų63.153%0.53435%0.345SS..EExtended strand (participates in β ladder)trans-100.7-46.5178.1-48.30000111.3C89T73-C89 WeakPolarHBondContact CA-O 3.49Å; T73-C89 PolarHBondContact N-O 3.29Å
74N97.9Very high96.2Very high93 Ų9361.8 Ų61.850%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-144.1148.6-179.6-62.792.5000110.7C89N74-C89 HydrophobicContact CB-CB 4.29Å; N74-C89 PolarHBondContact N-O 3.17Å; N74-C89 PolarHBondContact O-N 3.08Å
75V98.6Very high96.5Very high44 Ų4458.7 Ų58.727%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-135.6118.3172.4-174.70000108.1V19 I72 V77 I86 F87V19-V75 HydrophobicContact CG1-CG2 3.92Å; V19-V75 HydrophobicContact CG2-CG1 3.96Å; I72-V75 HydrophobicContact CG2-CG2 3.51Å; V75-V77 HydrophobicContact CG1-CG2 3.79Å; V75-I86 HydrophobicContact CG1-CG2 3.89Å; V75-F87 CarbonylContact C-O 3.31Å; V75-F87 WeakPolarHBondContact CA-O 3.32Å
76D98.6Very high96.8Very high91 Ų9158.4 Ų58.449%0.48731%0.312SS..EExtended strand (participates in β ladder)trans-103.8132170.7-62.4-57.8000109.2I86 F87D76-I86 CarbonylContact O-C 3.56Å; D76-I86 WeakPolarHBondContact O-CA 3.5Å; D76-F87 HydrophobicContact CB-CB 4.31Å; D76-F87 PolarHBondContact N-O 3.13Å; D76-F87 PolarHBondContact O-N 2.92Å
77V98.6Very high97.1Very high5 Ų554.9 Ų54.93%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-129.3121.1-176.8-168.70000110.5Y11 E16 V75 V84 L85 I86Y11-V77 HydrophobicContact CD2-CG1 4.1Å; Y11-V77 WeakPolarHBondContact O-CG1 3.22Å; E16-V77 HydrophobicContact CG-CG2 4.42Å; V75-V77 HydrophobicContact CG1-CG2 3.79Å; V77-V84 HydrophobicContact CG1-CG1 3.36Å; V77-L85 WeakPolarHBondContact CA-O 3.14Å; V77-I86 HydrophobicContact CG1-CG1 4.33Å
78H98Very high97.3Very high110 Ų11049.4 Ų49.451%0.50927%0.266SS..EExtended strand (participates in β ladder)trans-122.3143.8176.5-71.4167.4000111.5L85H78-L85 HydrophobicContact CB-CB 4.42Å; H78-L85 PolarHBondContact N-O 3.25Å; H78-L85 PolarHBondContact O-N 3.39Å
79P97.1Very high97.3Very high20 Ų2050.4 Ų50.413%0.1327%0.273CS..EExtended strand (participates in β ladder)trans-82.8146.5169.635.2-29.3000110.4Y7 Y11Y7-P79 HydrophobicContact CD1-CB 3.78Å; Y7-P79 HydrophobicContact CD1-CG 4.19Å; Y7-P79 HydrophobicContact CD2-CB 3.64Å; Y7-P79 HydrophobicContact CD2-CG 3.31Å; Y7-P79 HydrophobicContact CE1-CB 4.19Å; Y7-P79 HydrophobicContact CE1-CG 4.24Å; Y7-P79 HydrophobicContact CE2-CB 4.05Å; Y7-P79 HydrophobicContact CE2-CG 3.36Å; Y7-P79 HydrophobicContact CG-CB 3.48Å; Y7-P79 VanDerWaalsContact CG-CB 3.48Å; Y7-P79 HydrophobicContact CG-CG 3.74Å; Y11-P79 HydrophobicContact CD1-CB 3.83Å; Y11-P79 HydrophobicContact CD1-CG 3.97Å; Y11-P79 HydrophobicContact CD2-CB 4.01Å; Y11-P79 HydrophobicContact CD2-CG 4.08Å; Y11-P79 HydrophobicContact CE1-CB 4.18Å; Y11-P79 HydrophobicContact CE1-CG 3.78Å; Y11-P79 HydrophobicContact CE2-CB 4.38Å; Y11-P79 HydrophobicContact CE2-CG 3.93Å; Y11-P79 HydrophobicContact CG-CB 3.74Å; Y11-P79 HydrophobicContact CG-CG 4.12Å
80N94.1Very high97.4Very high63 Ų6347 Ų4734%0.33726%0.259SS..EExtended strand (participates in β ladder)trans-144.6108.2170.7-175.98.9000109.9N82 S83 F107N80-N82 PolarHBondContact O-N 2.96Å; N80-S83 PolarHBondContact N-O 3.34Å; N80-S83 WeakPolarHBondContact O-CA 3.34Å; N80-S83 WeakPolarHBondContact O-CB 3.29Å; N80-S83 PolarHBondContact O-N 2.79Å; N80-F107 HydrophobicContact CB-CE2 4.09Å; N80-F107 HydrophobicContact CB-CZ 4.31Å
81E91.8Very high97.4Very high104 Ų10450.9 Ų50.949%0.48628%0.276SS..THydrogen-bonded Turntrans45.3-126.8-170.9-59.3-176.5151.200110.6L6 Y7 P8 S83L6-E81 CarbonylContact C-O 3.22Å; L6-E81 HydrophobicContact CB-CB 4.38Å; L6-E81 HydrophobicContact CD1-CB 4.27Å; L6-E81 HydrophobicContact CD1-CG 4.3Å; L6-E81 CarbonylContact O-C 3.57Å; L6-E81 VanDerWaalsContact O-C 3.31Å; Y7-E81 VanDerWaalsContact CA-O 3.3Å; Y7-E81 WeakPolarHBondContact CA-O 3.22Å; Y7-E81 PolarHBondContact N-O 2.97Å; P8-E81 WeakPolarHBondContact CD-O 3.47Å; E81-S83 PolarHBondContact O-N 3.11Å
82N92.4Very high97.3Very high63 Ų6349.9 Ų49.934%0.33726%0.262SS..THydrogen-bonded Turntrans-80.719.9177.572.4-20.3000114.8N80 R109 K110N80-N82 PolarHBondContact O-N 2.96Å; N82-R109 PolarHBondContact OD1-NE 3.13Å; N82-K110 PolarHBondContact O-N 3.21Å
83S96.6Very high97.3Very high0 Ų049.3 Ų49.30%026%0.257CS..EExtended strand (participates in β ladder)trans-132.2164-168.6-50.60000112.1N80 E81 F107 L108 R109N80-S83 PolarHBondContact N-O 3.34Å; N80-S83 WeakPolarHBondContact O-CA 3.34Å; N80-S83 WeakPolarHBondContact O-CB 3.29Å; N80-S83 PolarHBondContact O-N 2.79Å; E81-S83 PolarHBondContact O-N 3.11Å; S83-F107 VanDerWaalsContact OG-CE1 3.27Å; S83-F107 WeakPolarHBondContact OG-CE1 3.26Å; S83-L108 CarbonylContact C-O 3.58Å; S83-L108 WeakPolarHBondContact CA-O 3.37Å; S83-L108 WeakPolarHBondContact CB-O 3.27Å; S83-R109 PolarHBondContact OG-NE 3.48Å
84V98.2Very high97.2Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-122.4119.8177-172.90000108.2P8 I14 V77 I86 L108 F115P8-V84 HydrophobicContact CB-CG2 4.4Å; P8-V84 HydrophobicContact CG-CG2 4Å; I14-V84 HydrophobicContact CG2-CG2 4.32Å; V77-V84 HydrophobicContact CG1-CG1 3.36Å; V84-I86 HydrophobicContact CG1-CD1 4.33Å; V84-I86 HydrophobicContact CG1-CG1 3.88Å; V84-L108 HydrophobicContact CB-CB 4.24Å; V84-L108 PolarHBondContact N-O 3.46Å; V84-L108 PolarHBondContact O-N 3.5Å; V84-F115 HydrophobicContact CG2-CD1 4.41Å; V84-F115 HydrophobicContact CG2-CE1 3.96Å
85L98.5Very high97.1Very high64 Ų6444.9 Ų44.934%0.33523%0.233SC..EExtended strand (participates in β ladder)trans-91.5126.8170.6174.865.6000108.5V77 H78 V105 F106 F107V77-L85 WeakPolarHBondContact CA-O 3.14Å; H78-L85 HydrophobicContact CB-CB 4.42Å; H78-L85 PolarHBondContact N-O 3.25Å; H78-L85 PolarHBondContact O-N 3.39Å; L85-V105 HydrophobicContact CD1-CG1 3.63Å; L85-F106 WeakPolarHBondContact CA-O 3.47Å; L85-F107 HydrophobicContact CB-CD2 4.35Å; L85-F107 HydrophobicContact CD1-CD2 4.27Å
86I98.8Very high96.9Very high0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-124.9133.7-178.4-52.9171.2000108.1F18 V19 V75 D76 V77 V84 V88 V105 F106 L108F18-I86 HydrophobicContact CB-CD1 4.5Å; F18-I86 HydrophobicContact CD1-CD1 3.53Å; F18-I86 HydrophobicContact CE1-CD1 4.13Å; F18-I86 HydrophobicContact CG-CD1 4.26Å; V19-I86 HydrophobicContact CG2-CG2 3.64Å; V75-I86 HydrophobicContact CG1-CG2 3.89Å; D76-I86 CarbonylContact O-C 3.56Å; D76-I86 WeakPolarHBondContact O-CA 3.5Å; V77-I86 HydrophobicContact CG1-CG1 4.33Å; V84-I86 HydrophobicContact CG1-CD1 4.33Å; V84-I86 HydrophobicContact CG1-CG1 3.88Å; I86-V88 HydrophobicContact CG2-CG2 3.87Å; I86-V105 CarbonylContact O-C 3.55Å; I86-V105 VanDerWaalsContact O-CA 3.27Å; I86-V105 WeakPolarHBondContact O-CA 3.15Å; I86-F106 HydrophobicContact CB-CB 4.22Å; I86-F106 HydrophobicContact CB-CD2 4.4Å; I86-F106 HydrophobicContact CG2-CD2 4.43Å; I86-F106 PolarHBondContact N-O 3.1Å; I86-F106 PolarHBondContact O-N 2.86Å; I86-L108 HydrophobicContact CD1-CD1 3.51Å; I86-L108 HydrophobicContact CD1-CG 3.89Å
87F98.7Very high96.7Very high77 Ų7752.2 Ų52.234%0.33827%0.265SS..EExtended strand (participates in β ladder)trans-120.1126.3168.9178.3-114000109V75 D76 C89 C103 V105V75-F87 CarbonylContact C-O 3.31Å; V75-F87 WeakPolarHBondContact CA-O 3.32Å; D76-F87 HydrophobicContact CB-CB 4.31Å; D76-F87 PolarHBondContact N-O 3.13Å; D76-F87 PolarHBondContact O-N 2.92Å; F87-C89 WeakPolarHBondContact CE1-SG 3.19Å; F87-C89 VanDerWaalsContact CZ-SG 3.57Å; F87-C103 HydrophobicContact CE2-CB 3.86Å; F87-C103 HydrophobicContact CZ-CB 4.06Å; F87-V105 HydrophobicContact CD2-CG2 3.65Å; F87-V105 HydrophobicContact CE2-CG2 4.3Å
88V98.8Very high96.6Very high0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-117.1129.8-177.3-177.10000108.4V19 Y23 I72 I86 F102 C103 E104 F106V19-V88 HydrophobicContact CG1-CG2 4.2Å; V19-V88 HydrophobicContact CG2-CG2 3.64Å; Y23-V88 HydrophobicContact CE2-CG1 3.89Å; Y23-V88 HydrophobicContact CE2-CG2 4.33Å; I72-V88 HydrophobicContact CD1-CG1 3.79Å; I72-V88 HydrophobicContact CG2-CG1 4.18Å; I86-V88 HydrophobicContact CG2-CG2 3.87Å; V88-F102 HydrophobicContact CG1-CE2 4.12Å; V88-F102 HydrophobicContact CG1-CZ 4.27Å; V88-C103 CarbonylContact O-C 3.52Å; V88-C103 WeakPolarHBondContact O-CA 3.48Å; V88-E104 PolarHBondContact N-O 3.17Å; V88-E104 PolarHBondContact O-N 3.23Å; V88-F106 HydrophobicContact CG2-CD2 4.25Å; V88-F106 HydrophobicContact CG2-CE2 3.97Å
89C98.4Very high96.5Very high32 Ų3257.2 Ų57.222%0.21629%0.292CS..EExtended strand (participates in β ladder)trans-112135.9163.5-67.30000108.6T73 N74 F87T73-C89 WeakPolarHBondContact CA-O 3.49Å; T73-C89 PolarHBondContact N-O 3.29Å; N74-C89 HydrophobicContact CB-CB 4.29Å; N74-C89 PolarHBondContact N-O 3.17Å; N74-C89 PolarHBondContact O-N 3.08Å; F87-C89 WeakPolarHBondContact CE1-SG 3.19Å; F87-C89 VanDerWaalsContact CZ-SG 3.57Å
90G98.1Very high96.5Very high5 Ų558.7 Ų58.75%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-162-167.7178.800000113.2G71 P101 F102G71-G90 CarbonylContact O-C 3.22Å; G71-G90 WeakPolarHBondContact O-CA 3.29Å; G90-P101 CarbonylContact O-C 3.48Å; G90-P101 VanDerWaalsContact O-CA 3.29Å; G90-P101 WeakPolarHBondContact O-CA 3.31Å; G90-F102 VanDerWaalsContact C-CD1 3.44Å; G90-F102 VanDerWaalsContact C-CE1 3.4Å; G90-F102 PolarHBondContact N-O 3.21Å; G90-F102 PolarHBondContact O-N 2.77Å
91Q97.9Very high96.6Very high104 Ų10458.6 Ų58.649%0.48630%0.302SS..EExtended strand (participates in β ladder)trans-126.6139.6174.6-68179.5-14.600109V70 G71 V99 L100V70-Q91 WeakPolarHBondContact CA-O 3.31Å; G71-Q91 PolarHBondContact N-O 3.29Å; G71-Q91 PolarHBondContact O-N 3.11Å; Q91-V99 HydrophobicContact CB-CG1 3.69Å; Q91-V99 HydrophobicContact CG-CG1 4.2Å; Q91-L100 CarbonylContact C-O 3.6Å; Q91-L100 VanDerWaalsContact CA-O 3.3Å; Q91-L100 WeakPolarHBondContact CA-O 3.19Å
92V97.3Very high96.9Very high18 Ų1853.8 Ų53.811%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-123.1138.1177.761.40000109.3I68 Q69 V70 L100 F102 L124I68-V92 HydrophobicContact CG2-CG2 3.81Å; Q69-V92 CarbonylContact O-C 3.59Å; Q69-V92 WeakPolarHBondContact O-CA 3.34Å; V70-V92 HydrophobicContact CG2-CG2 4.19Å; V92-L100 HydrophobicContact CG1-CB 4.47Å; V92-L100 PolarHBondContact N-O 3.26Å; V92-L100 PolarHBondContact O-N 3.42Å; V92-F102 HydrophobicContact CB-CD1 3.91Å; V92-F102 HydrophobicContact CB-CE1 4.35Å; V92-F102 HydrophobicContact CG1-CB 4.4Å; V92-F102 HydrophobicContact CG1-CD1 4.05Å; V92-L124 HydrophobicContact CG1-CD2 3.82Å
93Q97.3Very high97.2Very high55 Ų5553 Ų5326%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-123.6125.8170.1-169.5178.624.400108.9I68 Q69 D97 V99I68-Q93 CarbonylContact C-O 3.52Å; I68-Q93 WeakPolarHBondContact CA-O 3.26Å; Q69-Q93 HydrophobicContact CB-CB 4.39Å; Q69-Q93 PolarHBondContact N-O 3.45Å; Q69-Q93 PolarHBondContact O-N 3Å; Q93-D97 WeakPolarHBondContact CG-O 3.29Å; Q93-D97 PolarHBondContact NE2-O 3.3Å; Q93-V99 HydrophobicContact CB-CG2 4.19Å; Q93-V99 HydrophobicContact CG-CG2 4.22Å
94C96.3Very high97.3Very high39 Ų3953.1 Ų53.126%0.26428%0.279SS..EExtended strand (participates in β ladder)trans-101.6122.9172.4-65.60000108.2A65 E96 D97A65-C94 HydrophobicContact CB-CB 3.86Å; C94-E96 PolarHBondContact O-N 2.8Å; C94-D97 WeakPolarHBondContact O-CB 3.46Å; C94-D97 PolarHBondContact O-N 3.32Å
95D95.7Very high97.3Very high48 Ų4854.7 Ų54.726%0.25729%0.288SS..THydrogen-bonded Turntrans49.1-119.7-179.5-64.3-33000113N66 K67N66-D95 WeakPolarHBondContact CA-OD1 3.22Å; N66-D95 WeakPolarHBondContact CB-OD1 3.46Å; N66-D95 PolarHBondContact N-OD1 2.86Å; N66-D95 PolarHBondContact N-OD2 3.12Å; N66-D95 PolarHBondContact ND2-OD2 3.3Å; K67-D95 PolarHBondContact N-OD1 2.84Å; K67-D95 PolarHBondContact O-N 2.91Å
96E94.7Very high97.3Very high189 Ų18951.7 Ų51.788%0.88327%0.272SS*.THydrogen-bonded Turntrans-101.98.3176.1-62.2-174.4177.300112.6C94C94-E96 PolarHBondContact O-N 2.8Å
97D94.5Very high97.3Very high100 Ų10053.2 Ų53.254%0.53528%0.279SS..SBendtrans-65.9168.2-179.8-63.2-26.4000111.4Q93 C94Q93-D97 WeakPolarHBondContact CG-O 3.29Å; Q93-D97 PolarHBondContact NE2-O 3.3Å; C94-D97 WeakPolarHBondContact O-CB 3.46Å; C94-D97 PolarHBondContact O-N 3.32Å
98Q94.6Very high97.3Very high157 Ų15749.6 Ų49.673%0.73426%0.263SS*.PPolyproline II helixtrans-59.1140.3173.5-177177.34.100111L100Q98-L100 HydrophobicContact CG-CD2 4.49Å; Q98-L100 PolarHBondContact O-N 2.97Å
99V96.6Very high97.2Very high64 Ų6453.3 Ų53.339%0.38828%0.277SS..PPolyproline II helixtrans-66.4120.9169.3-176.90000109.4Q91 Q93Q91-V99 HydrophobicContact CB-CG1 3.69Å; Q91-V99 HydrophobicContact CG-CG1 4.2Å; Q93-V99 HydrophobicContact CB-CG2 4.19Å; Q93-V99 HydrophobicContact CG-CG2 4.22Å
100L96.4Very high97.1Very high51 Ų5156.1 Ų56.127%0.26729%0.286SS..EExtended strand (participates in β ladder)trans-112.3139.4178.8-63.9176.6000110.5Q91 V92 Q98 L124 L126Q91-L100 CarbonylContact C-O 3.6Å; Q91-L100 VanDerWaalsContact CA-O 3.3Å; Q91-L100 WeakPolarHBondContact CA-O 3.19Å; V92-L100 HydrophobicContact CG1-CB 4.47Å; V92-L100 PolarHBondContact N-O 3.26Å; V92-L100 PolarHBondContact O-N 3.42Å; Q98-L100 HydrophobicContact CG-CD2 4.49Å; Q98-L100 PolarHBondContact O-N 2.97Å; L100-L124 HydrophobicContact CB-CD2 4.23Å; L100-L124 HydrophobicContact CD1-CD1 4.1Å; L100-L124 HydrophobicContact CD1-CD2 4.37Å; L100-L126 HydrophobicContact CD1-CD2 4.4Å; L100-L126 HydrophobicContact CD2-CD2 4.32Å
101P97.6Very high96.9Very high61 Ų6158.9 Ų58.940%0.39630%0.297SS..EExtended strand (participates in β ladder)trans-67.2154168.231.7-35.8000110.1G90 G125G90-P101 CarbonylContact O-C 3.48Å; G90-P101 VanDerWaalsContact O-CA 3.29Å; G90-P101 WeakPolarHBondContact O-CA 3.31Å; P101-G125 WeakPolarHBondContact CG-O 3.43Å; P101-G125 PolarHBondContact O-N 2.86Å
102F97.9Very high96.5Very high3 Ų362.1 Ų62.11%0.01332%0.317CS..EExtended strand (participates in β ladder)trans-144.6160.4170.877-87.6000110.7Y23 V70 I72 V88 G90 V92 E104 F122 R123 L124Y23-F102 HydrophobicContact CE1-CE2 4.11Å; Y23-F102 AromaticContact CE1-CZ 3.97Å; Y23-F102 HydrophobicContact CE1-CZ 3.97Å; Y23-F102 AromaticContact CZ-CE2 3.82Å; Y23-F102 AromaticContact CZ-CZ 3.89Å; Y23-F102 VanDerWaalsContact OH-CE2 3.31Å; Y23-F102 WeakPolarHBondContact OH-CE2 3.43Å; V70-F102 HydrophobicContact CG1-CE1 3.78Å; V70-F102 HydrophobicContact CG1-CZ 3.83Å; I72-F102 HydrophobicContact CD1-CZ 4.11Å; V88-F102 HydrophobicContact CG1-CE2 4.12Å; V88-F102 HydrophobicContact CG1-CZ 4.27Å; G90-F102 VanDerWaalsContact C-CD1 3.44Å; G90-F102 VanDerWaalsContact C-CE1 3.4Å; G90-F102 PolarHBondContact N-O 3.21Å; G90-F102 PolarHBondContact O-N 2.77Å; V92-F102 HydrophobicContact CB-CD1 3.91Å; V92-F102 HydrophobicContact CB-CE1 4.35Å; V92-F102 HydrophobicContact CG1-CB 4.4Å; V92-F102 HydrophobicContact CG1-CD1 4.05Å; F102-E104 HydrophobicContact CD2-CB 4.33Å; F102-E104 HydrophobicContact CE2-CB 4.25Å; F102-F122 HydrophobicContact CB-CE2 3.72Å; F102-F122 HydrophobicContact CB-CZ 3.75Å; F102-F122 HydrophobicContact CD2-CD2 4.08Å; F102-F122 AromaticContact CD2-CE2 3.5Å; F102-F122 HydrophobicContact CD2-CE2 3.5Å; F102-F122 HydrophobicContact CD2-CZ 4.39Å; F102-F122 HydrophobicContact CE2-CE2 4.34Å; F102-F122 AromaticContact CG-CE2 3.72Å; F102-F122 HydrophobicContact CG-CE2 3.72Å; F102-F122 HydrophobicContact CG-CZ 4.2Å; F102-R123 CarbonylContact C-O 3.57Å; F102-R123 VanDerWaalsContact CA-O 3.29Å; F102-R123 WeakPolarHBondContact CA-O 3.47Å; F102-R123 WeakPolarHBondContact CB-O 3.34Å; F102-L124 HydrophobicContact CB-CD2 4.35Å
103C98.2Very high96Very high46 Ų4667.7 Ų67.731%0.31135%0.346SS..EExtended strand (participates in β ladder)trans-127.9141.8166.4-58.50000109.7F87 V88 R123F87-C103 HydrophobicContact CE2-CB 3.86Å; F87-C103 HydrophobicContact CZ-CB 4.06Å; V88-C103 CarbonylContact O-C 3.52Å; V88-C103 WeakPolarHBondContact O-CA 3.48Å; C103-R123 PolarHBondContact N-O 2.58Å; C103-R123 PolarHBondContact O-N 2.59Å
104E98.7Very high95.8Very high3 Ų368.3 Ų68.31%0.01436%0.356CS..EExtended strand (participates in β ladder)trans-138.6134.4175.5-161.7167.1-177.600111Y22 Y23 V88 F102 F106 M121 F122Y22-E104 PolarHBondContact OH-OE1 3.06Å; Y23-E104 WeakPolarHBondContact OH-CB 3.43Å; Y23-E104 PolarHBondContact OH-OE2 2.97Å; V88-E104 PolarHBondContact N-O 3.17Å; V88-E104 PolarHBondContact O-N 3.23Å; F102-E104 HydrophobicContact CD2-CB 4.33Å; F102-E104 HydrophobicContact CE2-CB 4.25Å; E104-F106 HydrophobicContact CB-CE2 4.01Å; E104-F106 HydrophobicContact CB-CZ 4.2Å; E104-F106 HydrophobicContact CG-CD2 4.42Å; E104-F106 HydrophobicContact CG-CE1 4.01Å; E104-F106 HydrophobicContact CG-CE2 3.71Å; E104-F106 HydrophobicContact CG-CZ 3.49Å; E104-F106 VanDerWaalsContact CG-CZ 3.49Å; E104-F106 VanDerWaalsContact OE1-CE1 3.26Å; E104-F106 WeakPolarHBondContact OE1-CE1 3.3Å; E104-F106 VanDerWaalsContact OE1-CZ 3.22Å; E104-F106 WeakPolarHBondContact OE1-CZ 3.29Å; E104-F106 WeakPolarHBondContact OE2-CZ 3.33Å; E104-M121 CarbonylContact C-O 3.51Å; E104-M121 VanDerWaalsContact CA-O 3.28Å; E104-M121 WeakPolarHBondContact CA-O 3.38Å; E104-F122 HydrophobicContact CB-CD2 4.09Å; E104-F122 HydrophobicContact CG-CB 4.05Å; E104-F122 HydrophobicContact CG-CD2 4.07Å
105V98.8Very high95.8Very high33 Ų3368.6 Ų68.620%0.235%0.353CS..EExtended strand (participates in β ladder)trans-104.9137.8171.4176.10000108.6L85 I86 F87 S120 M121L85-V105 HydrophobicContact CD1-CG1 3.63Å; I86-V105 CarbonylContact O-C 3.55Å; I86-V105 VanDerWaalsContact O-CA 3.27Å; I86-V105 WeakPolarHBondContact O-CA 3.15Å; F87-V105 HydrophobicContact CD2-CG2 3.65Å; F87-V105 HydrophobicContact CE2-CG2 4.3Å; V105-S120 CarbonylContact O-C 3.52Å; V105-S120 WeakPolarHBondContact O-CA 3.48Å; V105-S120 WeakPolarHBondContact O-CB 3.46Å; V105-M121 HydrophobicContact CB-CB 4.48Å; V105-M121 HydrophobicContact CB-CE 4.19Å; V105-M121 HydrophobicContact CG1-CE 4.11Å; V105-M121 PolarHBondContact N-O 2.87Å; V105-M121 PolarHBondContact O-N 3.19Å
106F98.8Very high95.9Very high0 Ų068.1 Ų68.10%035%0.35CS..EExtended strand (participates in β ladder)trans-124.3139.1169.2-55.2-86.9000111.2F18 Y22 Y23 L85 I86 V88 E104 L108 I117F18-F106 HydrophobicContact CE1-CB 4.1Å; F18-F106 AromaticContact CE1-CD1 3.92Å; F18-F106 HydrophobicContact CE1-CD1 3.92Å; F18-F106 AromaticContact CE1-CD2 3.84Å; F18-F106 HydrophobicContact CE1-CD2 3.84Å; F18-F106 HydrophobicContact CE1-CE1 4.25Å; F18-F106 HydrophobicContact CE1-CE2 4.19Å; F18-F106 AromaticContact CE1-CG 3.68Å; F18-F106 HydrophobicContact CE1-CG 3.68Å; F18-F106 HydrophobicContact CE1-CZ 4.35Å; F18-F106 AromaticContact CZ-CD1 3.87Å; F18-F106 HydrophobicContact CZ-CD1 3.87Å; F18-F106 HydrophobicContact CZ-CE1 4.18Å; F18-F106 HydrophobicContact CZ-CG 4.09Å; Y22-F106 HydrophobicContact CD1-CE1 4.23Å; Y22-F106 AromaticContact CD1-CZ 3.77Å; Y22-F106 HydrophobicContact CD1-CZ 3.77Å; Y22-F106 AromaticContact CE1-CE1 3.73Å; Y22-F106 HydrophobicContact CE1-CE1 3.73Å; Y22-F106 AromaticContact CE1-CZ 3.42Å; Y22-F106 HydrophobicContact CE1-CZ 3.42Å; Y22-F106 VanDerWaalsContact CE1-CZ 3.42Å; Y22-F106 HydrophobicContact CE2-CE1 4.06Å; Y22-F106 HydrophobicContact CG-CZ 4.44Å; Y22-F106 AromaticContact CZ-CE1 3.62Å; Y22-F106 AromaticContact CZ-CZ 3.84Å; Y23-F106 HydrophobicContact CE2-CE2 4.47Å; L85-F106 WeakPolarHBondContact CA-O 3.47Å; I86-F106 HydrophobicContact CB-CB 4.22Å; I86-F106 HydrophobicContact CB-CD2 4.4Å; I86-F106 HydrophobicContact CG2-CD2 4.43Å; I86-F106 PolarHBondContact N-O 3.1Å; I86-F106 PolarHBondContact O-N 2.86Å; V88-F106 HydrophobicContact CG2-CD2 4.25Å; V88-F106 HydrophobicContact CG2-CE2 3.97Å; E104-F106 HydrophobicContact CB-CE2 4.01Å; E104-F106 HydrophobicContact CB-CZ 4.2Å; E104-F106 HydrophobicContact CG-CD2 4.42Å; E104-F106 HydrophobicContact CG-CE1 4.01Å; E104-F106 HydrophobicContact CG-CE2 3.71Å; E104-F106 HydrophobicContact CG-CZ 3.49Å; E104-F106 VanDerWaalsContact CG-CZ 3.49Å; E104-F106 VanDerWaalsContact OE1-CE1 3.26Å; E104-F106 WeakPolarHBondContact OE1-CE1 3.3Å; E104-F106 VanDerWaalsContact OE1-CZ 3.22Å; E104-F106 WeakPolarHBondContact OE1-CZ 3.29Å; E104-F106 WeakPolarHBondContact OE2-CZ 3.33Å; F106-L108 HydrophobicContact CB-CD2 4.37Å; F106-I117 HydrophobicContact CD1-CD1 4.03Å; F106-I117 HydrophobicContact CD1-CG1 4.26Å; F106-I117 HydrophobicContact CD1-CG2 4.34Å; F106-I117 HydrophobicContact CE1-CD1 4.27Å
107F98.5Very high96.1Very high33 Ų3359.1 Ų59.115%0.14531%0.308CS..EExtended strand (participates in β ladder)trans-112.1104.1165.7-158.8-98.8000109.2N80 S83 L85 I117 T118 D119N80-F107 HydrophobicContact CB-CE2 4.09Å; N80-F107 HydrophobicContact CB-CZ 4.31Å; S83-F107 VanDerWaalsContact OG-CE1 3.27Å; S83-F107 WeakPolarHBondContact OG-CE1 3.26Å; L85-F107 HydrophobicContact CB-CD2 4.35Å; L85-F107 HydrophobicContact CD1-CD2 4.27Å; F107-I117 WeakPolarHBondContact O-CA 3.2Å; F107-T118 WeakPolarHBondContact CD1-OG1 3.38Å; F107-T118 PolarHBondContact O-N 2.98Å; F107-D119 HydrophobicContact CB-CB 3.97Å; F107-D119 PolarHBondContact N-O 2.69Å
108L98.5Very high96.3Very high0 Ų055 Ų550%029%0.286CS..EExtended strand (participates in β ladder)trans-91125.4176-51.8-175.9000109.5F18 S83 V84 I86 F106 F115 L116 I117F18-L108 HydrophobicContact CB-CD1 3.86Å; F18-L108 HydrophobicContact CD1-CD1 3.9Å; F18-L108 HydrophobicContact CD1-CD2 4.28Å; F18-L108 HydrophobicContact CD2-CD1 3.79Å; F18-L108 HydrophobicContact CD2-CD2 3.87Å; F18-L108 HydrophobicContact CD2-CG 4.49Å; F18-L108 HydrophobicContact CE1-CD1 4.46Å; F18-L108 HydrophobicContact CE1-CD2 4.03Å; F18-L108 HydrophobicContact CE2-CD1 4.35Å; F18-L108 HydrophobicContact CE2-CD2 3.56Å; F18-L108 HydrophobicContact CG-CD1 3.55Å; F18-L108 HydrophobicContact CG-CD2 4.23Å; F18-L108 HydrophobicContact CG-CG 4.46Å; F18-L108 HydrophobicContact CZ-CD2 3.67Å; S83-L108 CarbonylContact C-O 3.58Å; S83-L108 WeakPolarHBondContact CA-O 3.37Å; S83-L108 WeakPolarHBondContact CB-O 3.27Å; V84-L108 HydrophobicContact CB-CB 4.24Å; V84-L108 PolarHBondContact N-O 3.46Å; V84-L108 PolarHBondContact O-N 3.5Å; I86-L108 HydrophobicContact CD1-CD1 3.51Å; I86-L108 HydrophobicContact CD1-CG 3.89Å; F106-L108 HydrophobicContact CB-CD2 4.37Å; L108-F115 HydrophobicContact CB-CB 4.29Å; L108-F115 HydrophobicContact CB-CD1 3.99Å; L108-L116 WeakPolarHBondContact CA-O 3.43Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG1 3.57Å
109R97.5Very high96.5Very high78 Ų7849.4 Ų49.429%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-113.6141.6173.4179.1165.5-92.4153.2-8.8110.7N82 S83 F111 F115 L116 T118N82-R109 PolarHBondContact OD1-NE 3.13Å; S83-R109 PolarHBondContact OG-NE 3.48Å; R109-F111 HydrophobicContact CB-CD2 4.48Å; R109-F111 HydrophobicContact CB-CE2 3.75Å; R109-F111 HydrophobicContact CB-CZ 4.11Å; R109-F111 HydrophobicContact CG-CD2 4.49Å; R109-F111 HydrophobicContact CG-CE1 4.5Å; R109-F111 HydrophobicContact CG-CE2 3.91Å; R109-F111 HydrophobicContact CG-CZ 3.91Å; R109-F111 VanDerWaalsContact O-CD2 3.22Å; R109-F111 WeakPolarHBondContact O-CD2 3.27Å; R109-F115 WeakPolarHBondContact O-CA 3.46Å; R109-L116 PolarHBondContact N-O 3.34Å; R109-L116 PolarHBondContact O-N 3.28Å; R109-T118 HydrophobicContact CB-CG2 3.71Å
110K95.1Very high96.6Very high91 Ų9146.4 Ų46.440%0.39624%0.244SC..EExtended strand (participates in β ladder)trans-77.8122.3177.1-165.2176.5-178.7-179.40111.1N82 N113 C114 F115N82-K110 PolarHBondContact O-N 3.21Å; K110-N113 WeakPolarHBondContact CE-OD1 3.28Å; K110-N113 PolarHBondContact NZ-OD1 3.25Å; K110-C114 CarbonylContact C-O 3.56Å; K110-C114 WeakPolarHBondContact CA-O 3.42Å; K110-F115 HydrophobicContact CB-CD1 4.22Å; K110-F115 HydrophobicContact CB-CE1 3.75Å; K110-F115 HydrophobicContact CB-CE2 4.36Å; K110-F115 HydrophobicContact CB-CZ 3.81Å; K110-F115 HydrophobicContact CD-CE2 4.17Å; K110-F115 HydrophobicContact CD-CZ 3.95Å; K110-F115 HydrophobicContact CG-CE1 4.37Å; K110-F115 HydrophobicContact CG-CE2 4.1Å; K110-F115 HydrophobicContact CG-CZ 3.97Å
111F93.8Very high96.7Very high64 Ų6448.7 Ų48.728%0.28125%0.254SS..EExtended strand (participates in β ladder)trans-126.1117.2171.6-59.4-87000109.1H38 R109 N113 C114 L116 T118H38-F111 HydrophobicContact CB-CE2 4.4Å; H38-F111 AromaticContact CD2-CE2 3.88Å; H38-F111 AromaticContact CD2-CZ 3.78Å; H38-F111 AromaticContact NE2-CE1 4Å; R109-F111 HydrophobicContact CB-CD2 4.48Å; R109-F111 HydrophobicContact CB-CE2 3.75Å; R109-F111 HydrophobicContact CB-CZ 4.11Å; R109-F111 HydrophobicContact CG-CD2 4.49Å; R109-F111 HydrophobicContact CG-CE1 4.5Å; R109-F111 HydrophobicContact CG-CE2 3.91Å; R109-F111 HydrophobicContact CG-CZ 3.91Å; R109-F111 VanDerWaalsContact O-CD2 3.22Å; R109-F111 WeakPolarHBondContact O-CD2 3.27Å; F111-N113 VanDerWaalsContact C-N 3.26Å; F111-N113 PolarHBondContact O-N 3.08Å; F111-N113 VanDerWaalsContact O-N 3.13Å; F111-C114 PolarHBondContact N-O 3.33Å; F111-C114 PolarHBondContact O-N 3.4Å; F111-L116 HydrophobicContact CD2-CB 4.05Å; F111-L116 HydrophobicContact CD2-CD1 4.12Å; F111-L116 HydrophobicContact CD2-CG 4.35Å; F111-L116 HydrophobicContact CE2-CB 4.22Å; F111-T118 HydrophobicContact CE2-CG2 3.81Å; F111-T118 HydrophobicContact CZ-CG2 3.83Å
112N89.8Confident96.8Very high172 Ų17246.6 Ų46.692%0.9224%0.239SC*.THydrogen-bonded Turntrans46.944.6178-61.5-26.5000114.3C114N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.9Å
113N86.2Confident96.8Very high134 Ų13452.5 Ų52.572%0.71726%0.261SS*.THydrogen-bonded Turntrans70.53.7-175.4-60.6-36000117.4K110 F111K110-N113 WeakPolarHBondContact CE-OD1 3.28Å; K110-N113 PolarHBondContact NZ-OD1 3.25Å; F111-N113 VanDerWaalsContact C-N 3.26Å; F111-N113 PolarHBondContact O-N 3.08Å; F111-N113 VanDerWaalsContact O-N 3.13Å
114C92.8Very high96.7Very high68 Ų6852.3 Ų52.346%0.45926%0.257SS..EExtended strand (participates in β ladder)trans-102.4145.4169.6-170.60000110.5K110 F111 N112K110-C114 CarbonylContact C-O 3.56Å; K110-C114 WeakPolarHBondContact CA-O 3.42Å; F111-C114 PolarHBondContact N-O 3.33Å; F111-C114 PolarHBondContact O-N 3.4Å; N112-C114 VanDerWaalsContact C-N 3.27Å; N112-C114 PolarHBondContact O-N 2.9Å
115F97.5Very high96.3Very high45 Ų4553.8 Ų53.820%0.19727%0.272CS..EExtended strand (participates in β ladder)trans-99.4125.3171.2-78.2-90.5000109.2P8 I14 V84 L108 R109 K110P8-F115 HydrophobicContact CB-CE1 4.34Å; P8-F115 HydrophobicContact CB-CZ 3.82Å; P8-F115 HydrophobicContact CG-CE1 3.94Å; P8-F115 HydrophobicContact CG-CZ 3.87Å; I14-F115 HydrophobicContact CD1-CE2 3.79Å; I14-F115 HydrophobicContact CD1-CZ 3.99Å; I14-F115 HydrophobicContact CG2-CD2 4.11Å; I14-F115 HydrophobicContact CG2-CE2 4.31Å; I14-F115 HydrophobicContact CG2-CG 4.23Å; V84-F115 HydrophobicContact CG2-CD1 4.41Å; V84-F115 HydrophobicContact CG2-CE1 3.96Å; L108-F115 HydrophobicContact CB-CB 4.29Å; L108-F115 HydrophobicContact CB-CD1 3.99Å; R109-F115 WeakPolarHBondContact O-CA 3.46Å; K110-F115 HydrophobicContact CB-CD1 4.22Å; K110-F115 HydrophobicContact CB-CE1 3.75Å; K110-F115 HydrophobicContact CB-CE2 4.36Å; K110-F115 HydrophobicContact CB-CZ 3.81Å; K110-F115 HydrophobicContact CD-CE2 4.17Å; K110-F115 HydrophobicContact CD-CZ 3.95Å; K110-F115 HydrophobicContact CG-CE1 4.37Å; K110-F115 HydrophobicContact CG-CE2 4.1Å; K110-F115 HydrophobicContact CG-CZ 3.97Å
116L98.2Very high95.5Very high38 Ų3856.4 Ų56.420%0.19929%0.285CS..EExtended strand (participates in β ladder)trans-123.8145.6176.4-62.6172.8000109.4F36 H38 L108 R109 F111 T118F36-L116 WeakPolarHBondContact O-CA 3.39Å; H38-L116 HydrophobicContact CB-CB 4.1Å; H38-L116 HydrophobicContact CB-CD1 4.38Å; L108-L116 WeakPolarHBondContact CA-O 3.43Å; R109-L116 PolarHBondContact N-O 3.34Å; R109-L116 PolarHBondContact O-N 3.28Å; F111-L116 HydrophobicContact CD2-CB 4.05Å; F111-L116 HydrophobicContact CD2-CD1 4.12Å; F111-L116 HydrophobicContact CD2-CG 4.35Å; F111-L116 HydrophobicContact CE2-CB 4.22Å; L116-T118 PolarHBondContact O-N 3.23Å
117I98.7Very high94.3Very high0 Ų064.7 Ų64.70%032%0.323CS..EExtended strand (participates in β ladder)trans-67.6122.8173.2-53.6161.3000107.8F18 Y22 F36 Y37 H38 A41 F106 F107 L108 D119F18-I117 HydrophobicContact CE2-CD1 3.94Å; F18-I117 HydrophobicContact CE2-CG1 3.8Å; F18-I117 HydrophobicContact CZ-CD1 3.64Å; F18-I117 HydrophobicContact CZ-CG1 3.67Å; Y22-I117 HydrophobicContact CD2-CD1 4.22Å; Y22-I117 HydrophobicContact CE2-CD1 3.91Å; F36-I117 HydrophobicContact CB-CD1 3.71Å; F36-I117 HydrophobicContact CB-CG1 4.43Å; F36-I117 WeakPolarHBondContact O-CG1 3.33Å; F36-I117 PolarHBondContact O-N 3.3Å; Y37-I117 HydrophobicContact CD1-CB 3.75Å; Y37-I117 HydrophobicContact CD1-CD1 4.14Å; Y37-I117 HydrophobicContact CD1-CG2 3.7Å; Y37-I117 HydrophobicContact CD2-CD1 3.83Å; Y37-I117 HydrophobicContact CE1-CB 3.95Å; Y37-I117 HydrophobicContact CE1-CD1 3.88Å; Y37-I117 HydrophobicContact CE1-CG2 3.5Å; Y37-I117 VanDerWaalsContact CE1-CG2 3.5Å; Y37-I117 HydrophobicContact CE2-CD1 3.53Å; Y37-I117 HydrophobicContact CG-CB 4.17Å; Y37-I117 HydrophobicContact CG-CD1 4.12Å; H38-I117 WeakPolarHBondContact CB-O 3.28Å; H38-I117 PolarHBondContact N-O 2.85Å; A41-I117 VanDerWaalsContact CB-O 3.27Å; A41-I117 WeakPolarHBondContact CB-O 3.22Å; F106-I117 HydrophobicContact CD1-CD1 4.03Å; F106-I117 HydrophobicContact CD1-CG1 4.26Å; F106-I117 HydrophobicContact CD1-CG2 4.34Å; F106-I117 HydrophobicContact CE1-CD1 4.27Å; F107-I117 WeakPolarHBondContact O-CA 3.2Å; L108-I117 HydrophobicContact CD2-CB 4.32Å; L108-I117 HydrophobicContact CD2-CG1 3.57Å; I117-D119 WeakPolarHBondContact CG2-O 3.42Å
118T98.5Very high92.6Very high14 Ų1470 Ų709%0.08635%0.353CS..EExtended strand (participates in β ladder)trans-98.5-29.6168.464.50000111.7H38 A41 R42 F107 R109 F111 L116H38-T118 HydrophobicContact CB-CG2 4.45Å; A41-T118 CarbonylContact C-O 3.43Å; A41-T118 WeakPolarHBondContact CA-O 3.48Å; R42-T118 PolarHBondContact N-O 3.39Å; F107-T118 WeakPolarHBondContact CD1-OG1 3.38Å; F107-T118 PolarHBondContact O-N 2.98Å; R109-T118 HydrophobicContact CB-CG2 3.71Å; F111-T118 HydrophobicContact CE2-CG2 3.81Å; F111-T118 HydrophobicContact CZ-CG2 3.83Å; L116-T118 PolarHBondContact O-N 3.23Å
119D98.8Very high90.5Very high39 Ų3982.8 Ų82.821%0.20941%0.409CS..EExtended strand (participates in β ladder)trans-143.3131.1-178.3-59.6-88.9000109.6R42 F107 I117R42-D119 IonicContact CZ-OD1 3.11Å; R42-D119 IonicContact NE-OD1 2.79Å; R42-D119 PolarHBondContact NE-OD1 3.46Å; R42-D119 IonicContact NH2-OD1 2.66Å; R42-D119 PolarHBondContact NH2-OD1 3.02Å; R42-D119 IonicContact NH2-OD2 3.69Å; R42-D119 CarbonylContact O-C 3.5Å; R42-D119 VanDerWaalsContact O-CA 3.26Å; R42-D119 WeakPolarHBondContact O-CA 3.39Å; F107-D119 HydrophobicContact CB-CB 3.97Å; F107-D119 PolarHBondContact N-O 2.69Å; I117-D119 WeakPolarHBondContact CG2-O 3.42Å
120S98.8Very high90.1Very high2 Ų283.1 Ų83.11%0.01442%0.415CS..EExtended strand (participates in β ladder)trans-135.3150.9167.266.20000112.1Y37 R42 M43 T44 V105Y37-S120 WeakPolarHBondContact CE1-OG 3.44Å; Y37-S120 PolarHBondContact OH-OG 2.83Å; R42-S120 PolarHBondContact O-N 3.26Å; M43-S120 CarbonylContact C-O 3.57Å; M43-S120 WeakPolarHBondContact CA-O 3.4Å; M43-S120 VanDerWaalsContact CG-OG 3.31Å; M43-S120 WeakPolarHBondContact CG-OG 3.23Å; T44-S120 PolarHBondContact N-O 3.03Å; V105-S120 CarbonylContact O-C 3.52Å; V105-S120 WeakPolarHBondContact O-CA 3.48Å; V105-S120 WeakPolarHBondContact O-CB 3.46Å
121M98.8Very high89.9Confident99 Ų9982.6 Ų82.649%0.48842%0.416SS..EExtended strand (participates in β ladder)trans-139.2115.3177-66.5174.7-80.300108.8T44 E104 V105T44-M121 CarbonylContact O-C 3.59Å; T44-M121 WeakPolarHBondContact O-CA 3.33Å; E104-M121 CarbonylContact C-O 3.51Å; E104-M121 VanDerWaalsContact CA-O 3.28Å; E104-M121 WeakPolarHBondContact CA-O 3.38Å; V105-M121 HydrophobicContact CB-CB 4.48Å; V105-M121 HydrophobicContact CB-CE 4.19Å; V105-M121 HydrophobicContact CG1-CE 4.11Å; V105-M121 PolarHBondContact N-O 2.87Å; V105-M121 PolarHBondContact O-N 3.19Å
122F98.4Very high89.6Confident17 Ų1783.7 Ų83.78%0.07542%0.424CS..EExtended strand (participates in β ladder)trans-110.2135.1179.4177.3-87.4000110.5T44 Y45 E46 F102 E104 L124T44-F122 PolarHBondContact O-N 2.91Å; Y45-F122 HydrophobicContact CD2-CB 4.11Å; Y45-F122 AromaticContact CD2-CD1 3.73Å; Y45-F122 HydrophobicContact CD2-CD1 3.73Å; Y45-F122 HydrophobicContact CD2-CE1 4.48Å; Y45-F122 HydrophobicContact CD2-CG 4.08Å; Y45-F122 AromaticContact CE2-CD1 3.5Å; Y45-F122 HydrophobicContact CE2-CD1 3.5Å; Y45-F122 VanDerWaalsContact CE2-CD1 3.5Å; Y45-F122 AromaticContact CE2-CE1 3.8Å; Y45-F122 HydrophobicContact CE2-CE1 3.8Å; Y45-F122 HydrophobicContact CE2-CG 4.07Å; Y45-F122 HydrophobicContact CG-CD1 4.45Å; E46-F122 PolarHBondContact N-O 2.84Å; E46-F122 VanDerWaalsContact N-O 3.11Å; F102-F122 HydrophobicContact CB-CE2 3.72Å; F102-F122 HydrophobicContact CB-CZ 3.75Å; F102-F122 HydrophobicContact CD2-CD2 4.08Å; F102-F122 AromaticContact CD2-CE2 3.5Å; F102-F122 HydrophobicContact CD2-CE2 3.5Å; F102-F122 HydrophobicContact CD2-CZ 4.39Å; F102-F122 HydrophobicContact CE2-CE2 4.34Å; F102-F122 AromaticContact CG-CE2 3.72Å; F102-F122 HydrophobicContact CG-CE2 3.72Å; F102-F122 HydrophobicContact CG-CZ 4.2Å; E104-F122 HydrophobicContact CB-CD2 4.09Å; E104-F122 HydrophobicContact CG-CB 4.05Å; E104-F122 HydrophobicContact CG-CD2 4.07Å; F122-L124 HydrophobicContact CE1-CD2 4.1Å; F122-L124 HydrophobicContact CE1-CG 4.06Å; F122-L124 HydrophobicContact CZ-CD2 3.94Å; F122-L124 HydrophobicContact CZ-CG 4.41Å
123R97.8Very high89.6Confident126 Ų12678.5 Ų78.548%0.47539%0.394SS..EExtended strand (participates in β ladder)trans-137.6133.8170.6-68.3-65.3-174.4176.6-4.3110.7E46 G47 F102 C103E46-R123 PolarHBondContact O-NH1 3.44Å; E46-R123 WeakPolarHBondContact OE1-CA 3.16Å; G47-R123 VanDerWaalsContact N-CZ 3.28Å; G47-R123 VanDerWaalsContact N-NH1 3.13Å; F102-R123 CarbonylContact C-O 3.57Å; F102-R123 VanDerWaalsContact CA-O 3.29Å; F102-R123 WeakPolarHBondContact CA-O 3.47Å; F102-R123 WeakPolarHBondContact CB-O 3.34Å; C103-R123 PolarHBondContact N-O 2.58Å; C103-R123 PolarHBondContact O-N 2.59Å
124L96.4Very high89.9Confident43 Ų4375 Ų7523%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-64.7136.9157.9-67.8175.9000108.6E46 V92 L100 F102 F122 L126E46-L124 PolarHBondContact OE1-N 2.72Å; V92-L124 HydrophobicContact CG1-CD2 3.82Å; L100-L124 HydrophobicContact CB-CD2 4.23Å; L100-L124 HydrophobicContact CD1-CD1 4.1Å; L100-L124 HydrophobicContact CD1-CD2 4.37Å; F102-L124 HydrophobicContact CB-CD2 4.35Å; F122-L124 HydrophobicContact CE1-CD2 4.1Å; F122-L124 HydrophobicContact CE1-CG 4.06Å; F122-L124 HydrophobicContact CZ-CD2 3.94Å; F122-L124 HydrophobicContact CZ-CG 4.41Å; L124-L126 HydrophobicContact CB-CD1 4.38Å; L124-L126 HydrophobicContact CB-CD2 4.3Å; L124-L126 HydrophobicContact CB-CG 3.85Å; L124-L126 PolarHBondContact O-N 3.24Å
125G91.3Very high89.7Confident33 Ų3375.5 Ų75.534%0.3437%0.369SS..  trans-76.755.9172.600000111P101 H127P101-G125 WeakPolarHBondContact CG-O 3.43Å; P101-G125 PolarHBondContact O-N 2.86Å; G125-H127 PolarHBondContact O-N 2.96Å
126L82.5Confident89.1Confident88 Ų8877.6 Ų77.646%0.46138%0.381SS..  trans-72.1127.6173.6-58.9178.5000108.5L100 L124 N128L100-L126 HydrophobicContact CD1-CD2 4.4Å; L100-L126 HydrophobicContact CD2-CD2 4.32Å; L124-L126 HydrophobicContact CB-CD1 4.38Å; L124-L126 HydrophobicContact CB-CD2 4.3Å; L124-L126 HydrophobicContact CB-CG 3.85Å; L124-L126 PolarHBondContact O-N 3.24Å; L126-N128 PolarHBondContact O-N 2.73Å
127H72.9Confident88.4Confident174 Ų17480.7 Ų80.781%0.80640%0.395SS*.  trans-66.8102.9168.4-113-76.8000108G125 F129G125-H127 PolarHBondContact O-N 2.96Å; H127-F129 PolarHBondContact O-N 3.02Å
128N62.2Low87.5Confident146 Ų14687.4 Ų87.478%0.78143%0.428SS*.  trans-76.9117.9168.1-67.2-28.8000107.8L126L126-N128 PolarHBondContact O-N 2.73Å
129F54.3Low86.6Confident268 Ų26894.1 Ų94.1100%1.17546%0.459SS*.  trans-79.70165-74.8-81.7000110.4H127H127-F129 PolarHBondContact O-N 3.02Å

Retrieved 129 of 129 residues in 49.6 ms (Link to these results)

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