X5J5E3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5E3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 109 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
1G68Low92Very high80 Ų8069.3 Ų69.383%0.82544%0.444SS*.  0173.6000000110.5T103 S104G1-T103 WeakPolarHBondContact CA-OG1 3.24Å; G1-T103 PolarHBondContact N-OG1 2.81Å; G1-S104 CarbonylContact C-O 3.58Å; G1-S104 WeakPolarHBondContact CA-O 3.19Å
2G87.9Confident92.5Very high20 Ų2064.2 Ų64.221%0.20641%0.411CS..EExtended strand (participates in β ladder)trans-159.1138.1179.400000112.2S104 T106G2-S104 PolarHBondContact N-O 3.16Å; G2-S104 VanDerWaalsContact N-O 3.12Å; G2-T106 PolarHBondContact O-N 3.48Å
3L91.7Very high92.9Very high128 Ų12865.4 Ų65.467%0.6742%0.422SS*.EExtended strand (participates in β ladder)trans-91.5126.4164.6179.464.7000107.9T106 S108L3-T106 WeakPolarHBondContact CA-O 3.36Å; L3-T106 HydrophobicContact CD1-CG2 3.78Å; L3-S108 WeakPolarHBondContact CD1-OG 3.37Å
4V93.7Very high93.2Very high23 Ų2362.1 Ų62.114%0.13940%0.402CS..EExtended strand (participates in β ladder)trans-136.9144.3-176-119.70000109.5L10 L78 V105 T106 V107 S108V4-L10 HydrophobicContact CG2-CB 4.43Å; V4-L10 HydrophobicContact CG2-CD2 4.33Å; V4-L78 HydrophobicContact CB-CD1 4.13Å; V4-L78 HydrophobicContact CG1-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.68Å; V4-V105 HydrophobicContact CG2-CG1 4.42Å; V4-T106 PolarHBondContact N-O 3.4Å; V4-V107 VanDerWaalsContact O-CA 3.24Å; V4-V107 WeakPolarHBondContact O-CA 3.41Å; V4-S108 PolarHBondContact O-N 3.09Å; V4-S108 VanDerWaalsContact O-N 3.15Å
5K94.1Very high93.4Very high143 Ų14363.3 Ų63.362%0.62242%0.418SS*.  trans-75.2152.9172.1-69.1-174174.3-1740110.5G7 G8K5-G7 PolarHBondContact O-N 3.27Å; K5-G8 WeakPolarHBondContact O-CA 3.4Å; K5-G8 PolarHBondContact O-N 2.7Å
6P95.5Very high93.4Very high75 Ų7560.4 Ų60.449%0.48740%0.401SS..THydrogen-bonded Turntrans-51139.4170-26.134.2000111.9G8 L78 V107P6-G8 PolarHBondContact O-N 3.42Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; P6-V107 HydrophobicContact CB-CG1 4.44Å; P6-V107 HydrophobicContact CG-CG1 4.12Å
7G94.8Very high93.4Very high53 Ų5363.1 Ų63.155%0.54642%0.421SS..THydrogen-bonded Turntrans79.8-10.3-172.200000114.5K5 L78K5-G7 PolarHBondContact O-N 3.27Å; G7-L78 PolarHBondContact N-O 3.48Å
8G95.8Very high93.2Very high22 Ų2264.4 Ų64.423%0.22745%0.447CS..  trans-67.8173.5177.200000113.7K5 P6 S77 L78K5-G8 WeakPolarHBondContact O-CA 3.4Å; K5-G8 PolarHBondContact O-N 2.7Å; P6-G8 PolarHBondContact O-N 3.42Å; G8-S77 PolarHBondContact O-N 3.07Å; G8-L78 PolarHBondContact O-N 3.09Å
9S96.8Very high93Very high69 Ų6963.5 Ų63.548%0.48344%0.435SS..  trans-127.9147.8177.1-59.50000111M75S9-M75 CarbonylContact C-O 3.52Å; S9-M75 WeakPolarHBondContact CA-O 3.31Å; S9-M75 WeakPolarHBondContact CB-O 3.4Å
10L96.6Very high93Very high36 Ų3664.3 Ų64.319%0.18844%0.437CS..EExtended strand (participates in β ladder)trans-141.8148.8178-175.965.5000109.4V4 L12 M75 L78 V105V4-L10 HydrophobicContact CG2-CB 4.43Å; V4-L10 HydrophobicContact CG2-CD2 4.33Å; L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CG-CD2 4.11Å; L10-M75 PolarHBondContact N-O 2.8Å; L10-M75 PolarHBondContact O-N 3.15Å; L10-L78 HydrophobicContact CB-CD1 4.02Å; L10-V105 HydrophobicContact CD2-CG1 3.99Å; L10-V105 HydrophobicContact CD2-CG2 3.8Å
11K97.6Very high93Very high113 Ų11361.3 Ų61.349%0.49142%0.417SS..EExtended strand (participates in β ladder)trans-117.5119.7170.6-170.6175.9179.3179.80109.6Y72 L73K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; K11-L73 WeakPolarHBondContact CA-O 3.01Å
12L97.9Very high94.2Very high8 Ų859.7 Ų59.74%0.04239%0.393CS..EExtended strand (participates in β ladder)trans-91.5149.7171.1-55.2-177.4000110L10 W28 Y72 L73 M75 Y86 T103 V105L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CG-CD2 4.11Å; L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 3.96Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CE3 4.47Å; L12-W28 HydrophobicContact CD1-CH2 4.28Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.43Å; L12-L73 PolarHBondContact N-O 3.43Å; L12-L73 PolarHBondContact O-N 2.72Å; L12-M75 HydrophobicContact CD1-SD 3.65Å; L12-M75 HydrophobicContact CG-SD 3.82Å; L12-Y86 HydrophobicContact CD1-CD1 4.04Å; L12-Y86 HydrophobicContact CD1-CD2 4.47Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å; L12-T103 HydrophobicContact CD1-CG2 3.86Å; L12-T103 HydrophobicContact CD2-CG2 3.9Å; L12-T103 HydrophobicContact CG-CG2 4.36Å; L12-V105 HydrophobicContact CD1-CG2 4.12Å; L12-V105 HydrophobicContact CD2-CG2 3.97Å
13S97.4Very high94.4Very high80 Ų8063.6 Ų63.656%0.55941%0.409SS*.EExtended strand (participates in β ladder)trans-131.2148.4171.358.40000110.4L71S13-L71 CarbonylContact C-O 3.48Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å
14C96.8Very high94.5Very high20 Ų2060.5 Ų60.514%0.13539%0.389CS..EExtended strand (participates in β ladder)trans-137.9112.5173.7166.50000108.7W28 I70 L71 C88C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; C14-I70 WeakPolarHBondContact O-CA 3.47Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 2.85Å; C14-L71 PolarHBondContact O-N 2.92Å; C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 VanDerWaalsContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15A96.3Very high94.5Very high79 Ų7962.7 Ų62.765%0.65340%0.395SS*.EExtended strand (participates in β ladder)trans-83.1124.617400000109.5I70A15-I70 HydrophobicContact CB-CG1 4.4Å
16A93.6Very high94.6Very high18 Ų1856.1 Ų56.115%0.14937%0.367CS..  trans-92.1144.4175.900000110.8F19 F21 N69A16-F19 HydrophobicContact CB-CE1 3.83Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.54Å; A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 3.97Å; A16-F21 HydrophobicContact CB-CG 4.3Å; A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 3.18Å
17S92.8Very high94.7Very high105 Ų10554.5 Ų54.573%0.73435%0.351SS*.  trans-147.5158.2174.360.60000109.9F19S17-F19 VanDerWaalsContact O-CD1 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å
18G91.3Very high94.8Very high87 Ų8752.1 Ų52.190%0.89733%0.326SS*.SBendtrans82.37.7177.800000115.6
19F89.5Confident94.9Very high48 Ų4851.3 Ų51.321%0.21132%0.317CS..SBendtrans-158.2163.5173.563.4-84.1000111.8A16 S17 F21 Y24 M26 R90A16-F19 HydrophobicContact CB-CE1 3.83Å; A16-F19 HydrophobicContact CB-CE2 4.33Å; A16-F19 HydrophobicContact CB-CZ 3.54Å; S17-F19 VanDerWaalsContact O-CD1 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; F19-F21 HydrophobicContact CE2-CB 4.35Å; F19-F21 HydrophobicContact CE2-CD2 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.3Å; F19-F21 PolarHBondContact O-N 2.94Å; F19-F21 VanDerWaalsContact O-N 3.1Å; F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CD2 3.62Å; F19-Y24 AromaticContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CE2 4.49Å; F19-M26 HydrophobicContact CE2-SD 4.25Å; F19-M26 HydrophobicContact CZ-CE 4.47Å; F19-M26 HydrophobicContact CZ-SD 4.34Å; F19-R90 VanDerWaalsContact CE2-CD 3.45Å; F19-R90 HydrophobicContact CE2-CG 4.19Å; F19-R90 HydrophobicContact CZ-CB 4.47Å; F19-R90 HydrophobicContact CZ-CG 4.41Å
20T92.4Very high94.9Very high79 Ų7948.7 Ų48.749%0.48530%0.296SS..  trans-73.497.6172.6-52.80000109.6S22 D23 Y24T20-S22 WeakPolarHBondContact CG2-OG 3.3Å; T20-S22 PolarHBondContact O-N 3Å; T20-S22 VanDerWaalsContact O-N 3.17Å; T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 HydrophobicContact CG2-CB 4.43Å; T20-D23 VanDerWaalsContact CG2-CG 3.42Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.24Å; T20-D23 VanDerWaalsContact CG2-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.08Å; T20-D23 PolarHBondContact O-N 3.02Å; T20-D23 VanDerWaalsContact O-N 3.08Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21F93.3Very high94.9Very high1 Ų149.9 Ų49.90%0.00430%0.3CS..G310 helixtrans-55.7-35.6-173.7179.7-106.1000113.6A16 F19 D23 M26 R64 N66 N69 L71A16-F21 HydrophobicContact CB-CD2 3.43Å; A16-F21 VanDerWaalsContact CB-CD2 3.43Å; A16-F21 HydrophobicContact CB-CE2 3.97Å; A16-F21 HydrophobicContact CB-CG 4.3Å; F19-F21 HydrophobicContact CE2-CB 4.35Å; F19-F21 HydrophobicContact CE2-CD2 4.14Å; F19-F21 HydrophobicContact CZ-CD2 4.3Å; F19-F21 PolarHBondContact O-N 2.94Å; F19-F21 VanDerWaalsContact O-N 3.1Å; F21-D23 PolarHBondContact O-N 2.81Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.24Å; F21-M26 HydrophobicContact CD2-SD 4.02Å; F21-M26 HydrophobicContact CE2-CE 3.81Å; F21-M26 HydrophobicContact CE2-CG 3.65Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 4Å; F21-R64 HydrophobicContact CE1-CB 4.02Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 3.19Å; F21-N66 VanDerWaalsContact CD1-OD1 3.3Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.17Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.43Å; F21-N69 HydrophobicContact CB-CB 3.96Å; F21-N69 VanDerWaalsContact CB-OD1 3.25Å; F21-N69 WeakPolarHBondContact CB-OD1 3.46Å; F21-N69 HydrophobicContact CG-CB 4.18Å; F21-L71 HydrophobicContact CE2-CB 4.31Å; F21-L71 HydrophobicContact CZ-CB 4.09Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å
22S93.4Very high94.8Very high46 Ų4645.1 Ų45.132%0.32228%0.281SS..G310 helixtrans-69-8.2179.855.20000115.3T20 D45T20-S22 WeakPolarHBondContact CG2-OG 3.3Å; T20-S22 PolarHBondContact O-N 3Å; T20-S22 VanDerWaalsContact O-N 3.17Å; S22-D45 VanDerWaalsContact O-CB 3.31Å; S22-D45 WeakPolarHBondContact O-CB 3.28Å
23D92.3Very high94.5Very high102 Ų10249 Ų4955%0.54531%0.307SS..G310 helixtrans-95.7-4.3-175.7-61.4-6000112.4T20 F21T20-D23 WeakPolarHBondContact CB-OD2 3.38Å; T20-D23 HydrophobicContact CG2-CB 4.43Å; T20-D23 VanDerWaalsContact CG2-CG 3.42Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.24Å; T20-D23 VanDerWaalsContact CG2-OD2 3.24Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.08Å; T20-D23 PolarHBondContact O-N 3.02Å; T20-D23 VanDerWaalsContact O-N 3.08Å; F21-D23 PolarHBondContact O-N 2.81Å
24Y93Very high94.3Very high63 Ų6352.2 Ų52.225%0.24731%0.313CS..SBendtrans-127.2147.6-169.9-61.4-88.8000113.2F19 T20 D45 R64 R90 N92F19-Y24 HydrophobicContact CB-CE2 4.3Å; F19-Y24 AromaticContact CD2-CD2 3.62Å; F19-Y24 HydrophobicContact CD2-CD2 3.62Å; F19-Y24 AromaticContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CD2-CE2 3.86Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-Y24 HydrophobicContact CG-CE2 4.49Å; T20-Y24 VanDerWaalsContact O-CD2 3.29Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å; Y24-D45 VanDerWaalsContact O-CA 3.31Å; Y24-D45 WeakPolarHBondContact O-CA 3.42Å; Y24-R64 PolarHBondContact O-NH1 2.99Å; Y24-R90 HydrophobicContact CD1-CG 3.85Å; Y24-R90 HydrophobicContact CD2-CG 4.42Å; Y24-R90 VanDerWaalsContact CG-CD 3.5Å; Y24-R90 HydrophobicContact CG-CG 3.69Å; Y24-N92 HydrophobicContact CD1-CB 4.46Å; Y24-N92 HydrophobicContact CE1-CB 4.24Å
25Y94.5Very high93.9Very high70 Ų7059.1 Ų59.128%0.27534%0.341SS..EExtended strand (participates in β ladder)trans-66.2139.9161.8-79.5-119.9000108.9Y27 T42 I43 Y49 A91Y25-Y27 VanDerWaalsContact C-CE2 3.46Å; Y25-Y27 WeakPolarHBondContact CB-OH 3.39Å; Y25-Y27 WeakPolarHBondContact O-CD2 3.23Å; Y25-Y27 VanDerWaalsContact O-CE2 3.31Å; Y25-Y27 WeakPolarHBondContact O-CE2 3.42Å; Y25-T42 HydrophobicContact CD1-CG2 4.02Å; Y25-I43 WeakPolarHBondContact CA-O 3.47Å; Y25-Y49 HydrophobicContact CE1-CD1 4.32Å; Y25-A91 PolarHBondContact O-N 3.08Å
26M95.9Very high93.8Very high5 Ų563.1 Ų63.13%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-121.6147.2-177.7-64.4-57.5-54.200110.6F19 F21 I43 L71 A89 R90F19-M26 HydrophobicContact CE2-SD 4.25Å; F19-M26 HydrophobicContact CZ-CE 4.47Å; F19-M26 HydrophobicContact CZ-SD 4.34Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CD2-CG 4.24Å; F21-M26 HydrophobicContact CD2-SD 4.02Å; F21-M26 HydrophobicContact CE2-CE 3.81Å; F21-M26 HydrophobicContact CE2-CG 3.65Å; F21-M26 HydrophobicContact CE2-SD 3.83Å; F21-M26 HydrophobicContact CZ-CG 4Å; M26-I43 HydrophobicContact CB-CG2 3.81Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 2.87Å; M26-L71 HydrophobicContact CB-CD1 3.64Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.33Å; M26-L71 HydrophobicContact CG-CD1 4.42Å; M26-A89 VanDerWaalsContact CE-O 3.31Å; M26-A89 WeakPolarHBondContact CE-O 3.44Å; M26-R90 HydrophobicContact CE-CB 4.39Å; M26-R90 HydrophobicContact SD-CB 4.12Å; M26-R90 HydrophobicContact SD-CG 4.09Å
27Y96.4Very high93.8Very high40 Ų4066.8 Ų66.816%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-134.4135.4-160.8-68.6-105.1000110.8Y25 W39 T42 C88 A89 A91 M96Y25-Y27 VanDerWaalsContact C-CE2 3.46Å; Y25-Y27 WeakPolarHBondContact CB-OH 3.39Å; Y25-Y27 WeakPolarHBondContact O-CD2 3.23Å; Y25-Y27 VanDerWaalsContact O-CE2 3.31Å; Y25-Y27 WeakPolarHBondContact O-CE2 3.42Å; Y27-W39 HydrophobicContact CD1-CD2 4.49Å; Y27-W39 AromaticContact CD1-CE2 3.63Å; Y27-W39 AromaticContact CD1-CH2 3.23Å; Y27-W39 HydrophobicContact CD1-CH2 3.23Å; Y27-W39 AromaticContact CD1-CZ2 2.96Å; Y27-W39 HydrophobicContact CD1-CZ2 2.96Å; Y27-W39 AromaticContact CD1-CZ3 3.91Å; Y27-W39 HydrophobicContact CD1-CZ3 3.91Å; Y27-W39 HydrophobicContact CE1-CH2 4.39Å; Y27-W39 AromaticContact CE1-CZ2 3.76Å; Y27-W39 HydrophobicContact CE1-CZ2 3.76Å; Y27-W39 AromaticContact CG-CH2 3.52Å; Y27-W39 HydrophobicContact CG-CH2 3.52Å; Y27-W39 AromaticContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ3 4.21Å; Y27-T42 HydrophobicContact CD1-CG2 4.32Å; Y27-T42 HydrophobicContact CE1-CG2 3.8Å; Y27-C88 CarbonylContact O-C 3.59Å; Y27-C88 WeakPolarHBondContact O-CA 3.3Å; Y27-A89 VanDerWaalsContact CB-O 3.31Å; Y27-A89 WeakPolarHBondContact CB-O 3.45Å; Y27-A89 PolarHBondContact N-O 3.25Å; Y27-A89 PolarHBondContact O-N 2.84Å; Y27-A91 HydrophobicContact CD2-CB 3.94Å; Y27-A91 HydrophobicContact CE1-CB 4.39Å; Y27-A91 HydrophobicContact CE2-CB 3.18Å; Y27-M96 HydrophobicContact CD1-CE 3.93Å; Y27-M96 HydrophobicContact CD1-SD 4.26Å; Y27-M96 HydrophobicContact CG-CE 3.91Å
28W97.7Very high94Very high4 Ų463.5 Ų63.52%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-105.9118.9156.3-78.6101.8000112.7L12 C14 W39 V40 A41 L71 Y72 L73 Y87 C88 T103L12-W28 HydrophobicContact CB-CH2 3.76Å; L12-W28 HydrophobicContact CB-CZ2 3.96Å; L12-W28 HydrophobicContact CB-CZ3 4.36Å; L12-W28 HydrophobicContact CD1-CE3 4.47Å; L12-W28 HydrophobicContact CD1-CH2 4.28Å; L12-W28 HydrophobicContact CD1-CZ3 4.04Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; W28-W39 WeakPolarHBondContact O-CH2 3.48Å; W28-W39 WeakPolarHBondContact O-CZ3 3.34Å; W28-V40 HydrophobicContact CB-CB 4.2Å; W28-V40 WeakPolarHBondContact O-CA 3.14Å; W28-V40 WeakPolarHBondContact O-CB 3.13Å; W28-V40 PolarHBondContact O-N 3.19Å; W28-A41 PolarHBondContact N-O 3.27Å; W28-A41 PolarHBondContact O-N 2.94Å; W28-L71 HydrophobicContact CG-CD2 4.4Å; W28-Y72 PolarHBondContact NE1-O 2.77Å; W28-L73 HydrophobicContact CB-CD2 4.13Å; W28-L73 HydrophobicContact CD2-CB 4.06Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.05Å; W28-L73 HydrophobicContact CG-CD1 4.3Å; W28-L73 HydrophobicContact CG-CD2 3.95Å; W28-L73 HydrophobicContact CG-CG 4.33Å; W28-L73 HydrophobicContact CZ2-CB 4.33Å; W28-Y87 CarbonylContact C-O 3.46Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; W28-T103 HydrophobicContact CZ3-CG2 4.44Å
29V97.3Very high94.1Very high5 Ų563 Ų633%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-109.9149.5175.4-165.60000107.7L37 E38 W39 Y86 Y87 A89 M96 W99V29-L37 HydrophobicContact CG1-CB 4.45Å; V29-L37 HydrophobicContact CG1-CD2 4.02Å; V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; V29-W39 HydrophobicContact CB-CE3 4.13Å; V29-W39 HydrophobicContact CB-CZ3 4.01Å; V29-W39 HydrophobicContact CG1-CE3 4.34Å; V29-W39 HydrophobicContact CG2-CE3 3.56Å; V29-W39 HydrophobicContact CG2-CH2 4.48Å; V29-W39 HydrophobicContact CG2-CZ3 3.25Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.25Å; V29-Y87 PolarHBondContact N-O 3.04Å; V29-Y87 PolarHBondContact O-N 2.74Å; V29-A89 HydrophobicContact CG2-CB 4.36Å; V29-M96 HydrophobicContact CG2-CE 3.48Å; V29-M96 VanDerWaalsContact CG2-CE 3.48Å; V29-W99 HydrophobicContact CB-CH2 4.01Å; V29-W99 HydrophobicContact CB-CZ3 3.63Å; V29-W99 HydrophobicContact CG1-CH2 3.82Å; V29-W99 HydrophobicContact CG1-CZ3 3.76Å; V29-W99 HydrophobicContact CG2-CE3 4.25Å; V29-W99 HydrophobicContact CG2-CH2 3.5Å; V29-W99 HydrophobicContact CG2-CZ2 4.35Å; V29-W99 HydrophobicContact CG2-CZ3 3.43Å; V29-W99 VanDerWaalsContact CG2-CZ3 3.43Å
30R97.3Very high94.5Very high14 Ų1460.7 Ų60.75%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-123.1148.1166.272.9-178.1-178.2-1762.8111.7L37 E38 V40 D82 A84 M85 Y86R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.46Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 2.68Å; R30-E38 PolarHBondContact NE-OE2 3.49Å; R30-E38 IonicContact NH2-OE2 3.42Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 3.44Å; R30-V40 HydrophobicContact CB-CG2 3.79Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; R30-D82 IonicContact NH1-OD1 3.34Å; R30-D82 PolarHBondContact NH1-OD1 2.99Å; R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.15Å; R30-M85 CarbonylContact C-O 3.46Å; R30-M85 VanDerWaalsContact CA-O 3.23Å; R30-M85 WeakPolarHBondContact CA-O 3.45Å; R30-Y86 HydrophobicContact CB-CD1 3.95Å; R30-Y86 HydrophobicContact CB-CD2 4.37Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CE2 4.29Å; R30-Y86 HydrophobicContact CB-CG 4.2Å; R30-Y86 PolarHBondContact NH1-OH 3.08Å
31Q97.3Very high94.8Very high60 Ų6057 Ų5728%0.2827%0.266SS..EExtended strand (participates in β ladder)trans-109.9114.5169.3-172.3175.935.200108.6R36 L37 A84 M85 Y87Q31-R36 CarbonylContact C-O 3.59Å; Q31-R36 VanDerWaalsContact CA-O 3.3Å; Q31-R36 WeakPolarHBondContact CA-O 3.36Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 4.17Å; Q31-A84 WeakPolarHBondContact O-CA 3.24Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; Q31-M85 HydrophobicContact CB-CB 4.32Å; Q31-M85 PolarHBondContact N-O 2.84Å; Q31-M85 PolarHBondContact O-N 2.99Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.1Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.09Å
32T95.1Very high94.9Very high14 Ų1457.4 Ų57.49%0.08627%0.269CS..  trans-70.2164.1178.477.10000110.7E34 K35 R36 E38T32-E34 WeakPolarHBondContact CB-OE2 3.34Å; T32-E34 PolarHBondContact O-N 3.15Å; T32-E34 VanDerWaalsContact O-N 3.15Å; T32-E34 PolarHBondContact OG1-N 2.79Å; T32-E34 PolarHBondContact OG1-OE2 2.88Å; T32-K35 WeakPolarHBondContact O-CA 3.3Å; T32-K35 PolarHBondContact O-N 2.92Å; T32-R36 PolarHBondContact N-O 3.05Å; T32-E38 HydrophobicContact CG2-CG 4.23Å
33P91.4Very high95.1Very high89 Ų8955.5 Ų55.558%0.57826%0.256SS*.THydrogen-bonded Turntrans-54.6-29.5174.6-27.137000113.6K35 T83P33-K35 PolarHBondContact O-N 2.93Å; P33-K35 VanDerWaalsContact O-N 3.16Å; P33-T83 WeakPolarHBondContact CD-O 3.46Å
34E92.9Very high95.3Very high147 Ų14750.7 Ų50.769%0.68723%0.23SC*.THydrogen-bonded Turntrans-76.49.2174.7-52.870.5-148.300113T32 R36T32-E34 WeakPolarHBondContact CB-OE2 3.34Å; T32-E34 PolarHBondContact O-N 3.15Å; T32-E34 VanDerWaalsContact O-N 3.15Å; T32-E34 PolarHBondContact OG1-N 2.79Å; T32-E34 PolarHBondContact OG1-OE2 2.88Å; E34-R36 PolarHBondContact O-N 3.47Å
35K89.3Confident95.2Very high166 Ų16650.8 Ų50.872%0.72224%0.235SC*.  trans64.817.4180-53.6-180179.1178.50114.6T32 P33T32-K35 WeakPolarHBondContact O-CA 3.3Å; T32-K35 PolarHBondContact O-N 2.92Å; P33-K35 PolarHBondContact O-N 2.93Å; P33-K35 VanDerWaalsContact O-N 3.16Å
36R93.1Very high94.8Very high162 Ų16250.1 Ų50.161%0.61125%0.249SC*.  trans-78.9127.2174-173.8-177.8-179.8-171.87.6110.1Q31 T32 E34 E38Q31-R36 CarbonylContact C-O 3.59Å; Q31-R36 VanDerWaalsContact CA-O 3.3Å; Q31-R36 WeakPolarHBondContact CA-O 3.36Å; T32-R36 PolarHBondContact N-O 3.05Å; E34-R36 PolarHBondContact O-N 3.47Å; R36-E38 WeakPolarHBondContact CD-OE1 3.43Å; R36-E38 HydrophobicContact CG-CG 3.99Å; R36-E38 IonicContact CZ-OE1 3.48Å; R36-E38 IonicContact NE-OE1 3.57Å; R36-E38 IonicContact NH1-OE1 3.07Å; R36-E38 PolarHBondContact NH1-OE1 3.15Å; R36-E38 VanDerWaalsContact NH1-OE1 3.07Å
37L94.3Very high94.6Very high95 Ų9551.2 Ų51.250%0.49726%0.262SS..EExtended strand (participates in β ladder)trans-82.6126.2168.4-72.1170.5000109.7V29 R30 Q31 W99V29-L37 HydrophobicContact CG1-CB 4.45Å; V29-L37 HydrophobicContact CG1-CD2 4.02Å; R30-L37 CarbonylContact O-C 3.58Å; R30-L37 WeakPolarHBondContact O-CA 3.46Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 4.17Å; L37-W99 HydrophobicContact CD1-CH2 4.49Å; L37-W99 HydrophobicContact CD2-CZ3 4.38Å
38E95.6Very high94.5Very high37 Ų3754.9 Ų54.917%0.17329%0.293CS..EExtended strand (participates in β ladder)trans-126.8138.5-179.1-63.1-170.1157.200110.6V29 R30 T32 R36V29-E38 VanDerWaalsContact CG1-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; R30-E38 HydrophobicContact CG-CB 3.96Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.89Å; R30-E38 IonicContact NE-OE2 2.68Å; R30-E38 PolarHBondContact NE-OE2 3.49Å; R30-E38 IonicContact NH2-OE2 3.42Å; R30-E38 PolarHBondContact NH2-OE2 2.92Å; R30-E38 PolarHBondContact O-N 3.44Å; T32-E38 HydrophobicContact CG2-CG 4.23Å; R36-E38 WeakPolarHBondContact CD-OE1 3.43Å; R36-E38 HydrophobicContact CG-CG 3.99Å; R36-E38 IonicContact CZ-OE1 3.48Å; R36-E38 IonicContact NE-OE1 3.57Å; R36-E38 IonicContact NH1-OE1 3.07Å; R36-E38 PolarHBondContact NH1-OE1 3.15Å; R36-E38 VanDerWaalsContact NH1-OE1 3.07Å
39W95.1Very high94.4Very high76 Ų7660.3 Ų60.329%0.28831%0.314SS..EExtended strand (participates in β ladder)trans-75135176.9-151.4-150.9000110Y27 W28 V29 A41 T42 P53 M96Y27-W39 HydrophobicContact CD1-CD2 4.49Å; Y27-W39 AromaticContact CD1-CE2 3.63Å; Y27-W39 AromaticContact CD1-CH2 3.23Å; Y27-W39 HydrophobicContact CD1-CH2 3.23Å; Y27-W39 AromaticContact CD1-CZ2 2.96Å; Y27-W39 HydrophobicContact CD1-CZ2 2.96Å; Y27-W39 AromaticContact CD1-CZ3 3.91Å; Y27-W39 HydrophobicContact CD1-CZ3 3.91Å; Y27-W39 HydrophobicContact CE1-CH2 4.39Å; Y27-W39 AromaticContact CE1-CZ2 3.76Å; Y27-W39 HydrophobicContact CE1-CZ2 3.76Å; Y27-W39 AromaticContact CG-CH2 3.52Å; Y27-W39 HydrophobicContact CG-CH2 3.52Å; Y27-W39 AromaticContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ2 3.68Å; Y27-W39 HydrophobicContact CG-CZ3 4.21Å; W28-W39 WeakPolarHBondContact O-CH2 3.48Å; W28-W39 WeakPolarHBondContact O-CZ3 3.34Å; V29-W39 HydrophobicContact CB-CE3 4.13Å; V29-W39 HydrophobicContact CB-CZ3 4.01Å; V29-W39 HydrophobicContact CG1-CE3 4.34Å; V29-W39 HydrophobicContact CG2-CE3 3.56Å; V29-W39 HydrophobicContact CG2-CH2 4.48Å; V29-W39 HydrophobicContact CG2-CZ3 3.25Å; W39-A41 WeakPolarHBondContact CH2-O 3.06Å; W39-A41 VanDerWaalsContact CZ2-C 3.49Å; W39-A41 WeakPolarHBondContact CZ2-O 2.96Å; W39-T42 HydrophobicContact CZ2-CG2 4.44Å; W39-T42 WeakPolarHBondContact CZ2-OG1 2.84Å; W39-T42 PolarHBondContact NE1-OG1 2.68Å; W39-P53 WeakPolarHBondContact O-CG 3.33Å; W39-M96 HydrophobicContact CE3-CE 4.48Å; W39-M96 HydrophobicContact CZ3-CE 4.11Å
40V97.6Very high94.4Very high0 Ų062.9 Ų62.90%033%0.33CS..EExtended strand (participates in β ladder)trans-117.1-51.1-176.1-175.40000112W28 R30 P53 V56 F60 L73 Y86W28-V40 HydrophobicContact CB-CB 4.2Å; W28-V40 WeakPolarHBondContact O-CA 3.14Å; W28-V40 WeakPolarHBondContact O-CB 3.13Å; W28-V40 PolarHBondContact O-N 3.19Å; R30-V40 HydrophobicContact CB-CG2 3.79Å; R30-V40 HydrophobicContact CG-CG2 3.63Å; V40-P53 WeakPolarHBondContact O-CD 3.46Å; V40-V56 HydrophobicContact CG1-CG1 4.45Å; V40-V56 HydrophobicContact CG1-CG2 4.24Å; V40-V56 WeakPolarHBondContact O-CG2 3.29Å; V40-F60 HydrophobicContact CG1-CD2 3.57Å; V40-F60 HydrophobicContact CG1-CE2 3.96Å; V40-L73 HydrophobicContact CG1-CD2 4.02Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 4.12Å
41A97.8Very high94.4Very high0 Ų067.3 Ų67.30%035%0.348CS..EExtended strand (participates in β ladder)trans-160.5140.2179.400000112.7W28 W39 Y51 Y52 I62 L73W28-A41 PolarHBondContact N-O 3.27Å; W28-A41 PolarHBondContact O-N 2.94Å; W39-A41 WeakPolarHBondContact CH2-O 3.06Å; W39-A41 VanDerWaalsContact CZ2-C 3.49Å; W39-A41 WeakPolarHBondContact CZ2-O 2.96Å; A41-Y51 CarbonylContact C-O 3.46Å; A41-Y51 VanDerWaalsContact CA-O 3.32Å; A41-Y51 WeakPolarHBondContact CA-O 3.17Å; A41-Y52 HydrophobicContact CB-CD1 3.7Å; A41-Y52 HydrophobicContact CB-CE1 3.7Å; A41-I62 HydrophobicContact CB-CB 3.73Å; A41-I62 HydrophobicContact CB-CD1 3.93Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.93Å; A41-L73 HydrophobicContact CB-CD1 4.05Å
42T96.6Very high94.5Very high11 Ų1166.3 Ų66.37%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-112.6143.5174.4-41.90000110.2Y25 Y27 W39 T50 Y51Y25-T42 HydrophobicContact CD1-CG2 4.02Å; Y27-T42 HydrophobicContact CD1-CG2 4.32Å; Y27-T42 HydrophobicContact CE1-CG2 3.8Å; W39-T42 HydrophobicContact CZ2-CG2 4.44Å; W39-T42 WeakPolarHBondContact CZ2-OG1 2.84Å; W39-T42 PolarHBondContact NE1-OG1 2.68Å; T42-T50 WeakPolarHBondContact O-CA 3.48Å; T42-Y51 PolarHBondContact N-O 2.82Å; T42-Y51 PolarHBondContact O-N 2.79Å
43I97.1Very high94.6Very high6 Ų666.7 Ų66.73%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-135.5135.1166.6-169.8161000110.3Y25 M26 Y49 T50 I62 R64 L71Y25-I43 WeakPolarHBondContact CA-O 3.47Å; M26-I43 HydrophobicContact CB-CG2 3.81Å; M26-I43 PolarHBondContact N-O 2.98Å; M26-I43 PolarHBondContact O-N 2.87Å; I43-Y49 WeakPolarHBondContact CA-O 3.41Å; I43-T50 HydrophobicContact CB-CG2 4.22Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; I43-I62 HydrophobicContact CB-CD1 3.92Å; I43-I62 HydrophobicContact CB-CG1 4.15Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CD1-CG2 4.48Å; I43-I62 HydrophobicContact CG2-CD1 3.62Å; I43-I62 HydrophobicContact CG2-CG1 3.96Å; I43-R64 HydrophobicContact CD1-CB 4.23Å; I43-R64 HydrophobicContact CD1-CG 3.72Å; I43-R64 HydrophobicContact CG1-CG 4.39Å; I43-L71 HydrophobicContact CG2-CD1 3.6Å
44S95.1Very high94.8Very high1 Ų169 Ų691%0.00735%0.352CS..  trans-67.7164175.260.50000112.2G46 G47 S48 Y49 R64S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.02Å; S44-G47 PolarHBondContact O-N 2.78Å; S44-G47 PolarHBondContact OG-N 3.08Å; S44-S48 PolarHBondContact OG-N 3.27Å; S44-S48 PolarHBondContact OG-OG 3.06Å; S44-Y49 PolarHBondContact N-O 2.9Å; S44-Y49 PolarHBondContact OG-N 2.83Å; S44-R64 WeakPolarHBondContact O-CD 2.97Å; S44-R64 PolarHBondContact O-NH1 2.97Å
45D91.2Very high94.9Very high65 Ų6566.1 Ų66.135%0.34834%0.344SS..THydrogen-bonded Turntrans-46.2-46175.362.6-70.8000113.4S22 Y24 R64 N66S22-D45 VanDerWaalsContact O-CB 3.31Å; S22-D45 WeakPolarHBondContact O-CB 3.28Å; Y24-D45 VanDerWaalsContact O-CA 3.31Å; Y24-D45 WeakPolarHBondContact O-CA 3.42Å; D45-R64 PolarHBondContact O-NE 3.49Å; D45-R64 PolarHBondContact O-NH1 2.99Å; D45-R64 VanDerWaalsContact O-NH1 3.08Å; D45-R64 PolarHBondContact O-NH2 3.31Å; D45-N66 PolarHBondContact O-ND2 3.12Å
46G86.3Confident95.2Very high56 Ų5658.2 Ų58.258%0.57731%0.31SS*.THydrogen-bonded Turntrans-89.9-6.1174.700000115.5S44 S48S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.02Å; G46-S48 VanDerWaalsContact C-N 3.26Å; G46-S48 PolarHBondContact O-N 3.24Å
47G92.8Very high95.4Very high28 Ų2856.8 Ų56.829%0.28931%0.308SS..SBendtrans76.35.7-177.400000115.8S44 Y49S44-G47 PolarHBondContact O-N 2.78Å; S44-G47 PolarHBondContact OG-N 3.08Å; G47-Y49 VanDerWaalsContact C-N 3.3Å; G47-Y49 PolarHBondContact O-N 3.12Å
48S93.5Very high95.5Very high116 Ų11656.2 Ų56.281%0.81133%0.325SS*.  trans-70-25.5178.855.40000113.6S44 G46S44-S48 PolarHBondContact OG-N 3.27Å; S44-S48 PolarHBondContact OG-OG 3.06Å; G46-S48 VanDerWaalsContact C-N 3.26Å; G46-S48 PolarHBondContact O-N 3.24Å
49Y96.1Very high95.6Very high118 Ų11856 Ų5646%0.46332%0.323SS..  trans-119133.2179.9174.1-95.7000110.1Y25 I43 S44 G47Y25-Y49 HydrophobicContact CE1-CD1 4.32Å; I43-Y49 WeakPolarHBondContact CA-O 3.41Å; S44-Y49 PolarHBondContact N-O 2.9Å; S44-Y49 PolarHBondContact OG-N 2.83Å; G47-Y49 VanDerWaalsContact C-N 3.3Å; G47-Y49 PolarHBondContact O-N 3.12Å
50T97.8Very high95.7Very high60 Ų6052.6 Ų52.637%0.36831%0.31SS..EExtended strand (participates in β ladder)trans-131.9145.6169.157.60000110.7T42 I43 I62T42-T50 WeakPolarHBondContact O-CA 3.48Å; I43-T50 HydrophobicContact CB-CG2 4.22Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.87Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å
51Y97.4Very high95.8Very high107 Ų10756.2 Ų56.242%0.4233%0.332SS..EExtended strand (participates in β ladder)trans-131.9141.1175.4173.4-95.5000110.6A41 T42A41-Y51 CarbonylContact C-O 3.46Å; A41-Y51 VanDerWaalsContact CA-O 3.32Å; A41-Y51 WeakPolarHBondContact CA-O 3.17Å; T42-Y51 PolarHBondContact N-O 2.82Å; T42-Y51 PolarHBondContact O-N 2.79Å
52Y98.1Very high95.8Very high39 Ų3956.5 Ų56.515%0.15333%0.334CS..  trans-136.6134.4176.4-52.9-87.5000109A41 F60 T61 I62A41-Y52 HydrophobicContact CB-CD1 3.7Å; A41-Y52 HydrophobicContact CB-CE1 3.7Å; Y52-F60 VanDerWaalsContact CE1-O 3.31Å; Y52-F60 WeakPolarHBondContact CE1-O 2.79Å; Y52-T61 WeakPolarHBondContact OH-CA 3.13Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.89Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.13Å; Y52-I62 PolarHBondContact OH-N 3.49Å
53P97Very high95.9Very high21 Ų2158.3 Ų58.314%0.13635%0.347CS..  trans-69.4154.6167.519.5-14.4000111.1W39 V40 T55 V56 K57W39-P53 WeakPolarHBondContact O-CG 3.33Å; V40-P53 WeakPolarHBondContact O-CD 3.46Å; P53-T55 PolarHBondContact O-N 2.77Å; P53-V56 HydrophobicContact CG-CG2 4.01Å; P53-V56 PolarHBondContact O-N 3.17Å; P53-V56 VanDerWaalsContact O-N 3.08Å; P53-K57 WeakPolarHBondContact O-CB 3.48Å; P53-K57 PolarHBondContact O-N 3.25Å
54D96.3Very high95.9Very high138 Ų13859.8 Ų59.874%0.73835%0.352SS*.THydrogen-bonded Turntrans-59.1-25.2-174.6-65-33.6000113.8V56D54-V56 PolarHBondContact O-N 2.96Å
55T94.2Very high96Very high86 Ų8661.7 Ų61.753%0.52836%0.362SS..THydrogen-bonded Turntrans-61.9-28.1177.653.90000113.8P53 R59P53-T55 PolarHBondContact O-N 2.77Å; T55-R59 PolarHBondContact O-NH2 3.35Å
56V96.9Very high96.2Very high1 Ų161.4 Ų61.41%0.00636%0.361CS..THydrogen-bonded Turntrans-125.3-8.2-176.1-59.70000113.4V40 P53 D54 G58 R59 F60V40-V56 HydrophobicContact CG1-CG1 4.45Å; V40-V56 HydrophobicContact CG1-CG2 4.24Å; V40-V56 WeakPolarHBondContact O-CG2 3.29Å; P53-V56 HydrophobicContact CG-CG2 4.01Å; P53-V56 PolarHBondContact O-N 3.17Å; P53-V56 VanDerWaalsContact O-N 3.08Å; D54-V56 PolarHBondContact O-N 2.96Å; V56-G58 PolarHBondContact O-N 2.79Å; V56-R59 WeakPolarHBondContact O-CB 3.31Å; V56-R59 PolarHBondContact O-N 2.8Å; V56-F60 HydrophobicContact CB-CB 4.26Å; V56-F60 HydrophobicContact CB-CD2 3.68Å; V56-F60 HydrophobicContact CB-CE2 4.07Å; V56-F60 HydrophobicContact CB-CG 3.93Å; V56-F60 HydrophobicContact CG1-CD2 3.75Å; V56-F60 HydrophobicContact CG1-CE2 3.62Å; V56-F60 HydrophobicContact CG1-CG 4.4Å; V56-F60 HydrophobicContact CG1-CZ 4.17Å; V56-F60 HydrophobicContact CG2-CD2 4.28Å; V56-F60 PolarHBondContact O-N 3.3Å
57K96Very high96.5Very high132 Ų13263.3 Ų63.357%0.57437%0.371SS*.THydrogen-bonded Turntrans-55.7133.2179.2-166.9173.3-174.9178.20111.1P53 R59P53-K57 WeakPolarHBondContact O-CB 3.48Å; P53-K57 PolarHBondContact O-N 3.25Å; K57-R59 PolarHBondContact O-N 3.04Å
58G96.6Very high96.7Very high83 Ų8368.4 Ų68.486%0.85639%0.385SS*.THydrogen-bonded Turntrans78.8-7-176.900000115.1V56V56-G58 PolarHBondContact O-N 2.79Å
59R97.8Very high96.8Very high33 Ų3365.8 Ų65.813%0.12536%0.362CS..THydrogen-bonded Turntrans-110-38.2176-61.3-168.2-57.3115.30112.3T55 V56 K57 S76 S77 D82T55-R59 PolarHBondContact O-NH2 3.35Å; V56-R59 WeakPolarHBondContact O-CB 3.31Å; V56-R59 PolarHBondContact O-N 2.8Å; K57-R59 PolarHBondContact O-N 3.04Å; R59-S76 WeakPolarHBondContact CB-O 3.24Å; R59-S76 WeakPolarHBondContact O-CB 3.4Å; R59-S76 PolarHBondContact O-N 3.28Å; R59-S77 PolarHBondContact NH1-O 3.29Å; R59-D82 IonicContact CZ-OD1 3.61Å; R59-D82 IonicContact CZ-OD2 3.88Å; R59-D82 IonicContact NH1-OD1 3.6Å; R59-D82 IonicContact NH1-OD2 3.82Å; R59-D82 PolarHBondContact NH1-OD2 2.94Å; R59-D82 IonicContact NH2-OD1 3.58Å; R59-D82 PolarHBondContact NH2-OD1 2.91Å; R59-D82 IonicContact NH2-OD2 2.98Å; R59-D82 PolarHBondContact NH2-OD2 2.93Å
60F98.3Very high96.9Very high3 Ų361.8 Ų61.81%0.01335%0.348CS..EExtended strand (participates in β ladder)trans-109146.7-176.6-656.5000110.9V40 Y52 V56 L73 Q74 M75 L78 D82 Y86V40-F60 HydrophobicContact CG1-CD2 3.57Å; V40-F60 HydrophobicContact CG1-CE2 3.96Å; Y52-F60 VanDerWaalsContact CE1-O 3.31Å; Y52-F60 WeakPolarHBondContact CE1-O 2.79Å; V56-F60 HydrophobicContact CB-CB 4.26Å; V56-F60 HydrophobicContact CB-CD2 3.68Å; V56-F60 HydrophobicContact CB-CE2 4.07Å; V56-F60 HydrophobicContact CB-CG 3.93Å; V56-F60 HydrophobicContact CG1-CD2 3.75Å; V56-F60 HydrophobicContact CG1-CE2 3.62Å; V56-F60 HydrophobicContact CG1-CG 4.4Å; V56-F60 HydrophobicContact CG1-CZ 4.17Å; V56-F60 HydrophobicContact CG2-CD2 4.28Å; V56-F60 PolarHBondContact O-N 3.3Å; F60-L73 HydrophobicContact CB-CD1 4.3Å; F60-L73 HydrophobicContact CD2-CD2 4.3Å; F60-Q74 CarbonylContact C-O 3.51Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; F60-M75 HydrophobicContact CD1-CB 3.83Å; F60-M75 HydrophobicContact CD1-CG 4.06Å; F60-M75 HydrophobicContact CD2-CG 4.04Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.49Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 3.99Å; F60-M75 HydrophobicContact CE2-CG 4.04Å; F60-M75 HydrophobicContact CG-CB 4.34Å; F60-M75 HydrophobicContact CG-CG 4.07Å; F60-M75 HydrophobicContact CZ-CB 4.15Å; F60-M75 HydrophobicContact CZ-CE 3.79Å; F60-M75 HydrophobicContact CZ-CG 4.08Å; F60-L78 HydrophobicContact CE1-CD2 3.85Å; F60-L78 HydrophobicContact CZ-CD2 3.82Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; F60-Y86 HydrophobicContact CE2-CE1 4.34Å
61T98.4Very high96.9Very high76 Ų7659 Ų5947%0.46633%0.331SS..EExtended strand (participates in β ladder)trans-134117.9178.8-53.40000109.6Y52 Q74Y52-T61 WeakPolarHBondContact OH-CA 3.13Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.02Å
62I98.5Very high96.9Very high6 Ų655.8 Ų55.83%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-85.8139.5171.1-168.8169.2000109.4A41 I43 T50 Y52 L71 Y72 L73A41-I62 HydrophobicContact CB-CB 3.73Å; A41-I62 HydrophobicContact CB-CD1 3.93Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.93Å; I43-I62 HydrophobicContact CB-CD1 3.92Å; I43-I62 HydrophobicContact CB-CG1 4.15Å; I43-I62 HydrophobicContact CB-CG2 3.97Å; I43-I62 HydrophobicContact CD1-CG2 4.48Å; I43-I62 HydrophobicContact CG2-CD1 3.62Å; I43-I62 HydrophobicContact CG2-CG1 3.96Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.89Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.13Å; Y52-I62 PolarHBondContact OH-N 3.49Å; I62-L71 HydrophobicContact CD1-CD1 3.97Å; I62-L71 HydrophobicContact CD1-CD2 4.4Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.95Å; I62-L71 HydrophobicContact CG1-CG 4.47Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; I62-L73 HydrophobicContact CB-CD1 4.29Å
63S98.1Very high97Very high49 Ų4953.9 Ų53.934%0.34331%0.311SS..EExtended strand (participates in β ladder)trans-146.5162172.460.10000110.4Y72S63-Y72 PolarHBondContact N-O 3.07Å; S63-Y72 PolarHBondContact O-N 3.42Å
64R97.5Very high97Very high37 Ų3756 Ų5614%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-138147.7-176.265-176.7-67.4154.53.3110.9F21 Y24 I43 S44 D45 N66 I70 L71F21-R64 HydrophobicContact CE1-CB 4.02Å; F21-R64 VanDerWaalsContact CE1-NH2 3.29Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 3.19Å; Y24-R64 PolarHBondContact O-NH1 2.99Å; I43-R64 HydrophobicContact CD1-CB 4.23Å; I43-R64 HydrophobicContact CD1-CG 3.72Å; I43-R64 HydrophobicContact CG1-CG 4.39Å; S44-R64 WeakPolarHBondContact O-CD 2.97Å; S44-R64 PolarHBondContact O-NH1 2.97Å; D45-R64 PolarHBondContact O-NE 3.49Å; D45-R64 PolarHBondContact O-NH1 2.99Å; D45-R64 VanDerWaalsContact O-NH1 3.08Å; D45-R64 PolarHBondContact O-NH2 3.31Å; R64-N66 PolarHBondContact NE-OD1 2.92Å; R64-N66 PolarHBondContact NH2-OD1 2.83Å; R64-I70 WeakPolarHBondContact CA-O 3.49Å; R64-L71 HydrophobicContact CB-CD1 4.15Å
65D96.6Very high97.1Very high41 Ų4149.4 Ų49.422%0.21928%0.284CS..EExtended strand (participates in β ladder)trans-122.2102.9172-176.6-23.5000108A67 K68 N69 I70 Y72D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact OD1-N 2.95Å; D65-A67 VanDerWaalsContact OD1-N 3.09Å; D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 PolarHBondContact O-N 3.21Å; D65-K68 PolarHBondContact OD1-N 2.97Å; D65-K68 WeakPolarHBondContact OD2-CD 3.33Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.14Å; D65-K68 WeakPolarHBondContact OD2-CG 3.05Å; D65-K68 IonicContact OD2-NZ 2.94Å; D65-N69 WeakPolarHBondContact O-CA 3.38Å; D65-N69 PolarHBondContact O-N 3.31Å; D65-I70 PolarHBondContact N-O 3.31Å; D65-I70 PolarHBondContact O-N 2.99Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å
66N95.2Very high97.3Very high60 Ų6047.1 Ų47.132%0.32127%0.271SS..THydrogen-bonded Turntrans-71.2-28.8-177.2-74-9.1000112.7F21 D45 R64 K68 N69F21-N66 VanDerWaalsContact CD1-OD1 3.3Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.17Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.43Å; D45-N66 PolarHBondContact O-ND2 3.12Å; R64-N66 PolarHBondContact NE-OD1 2.92Å; R64-N66 PolarHBondContact NH2-OD1 2.83Å; N66-K68 VanDerWaalsContact C-N 3.29Å; N66-K68 PolarHBondContact O-N 2.94Å; N66-N69 PolarHBondContact O-OD1 2.9Å
67A94.6Very high97.3Very high96 Ų9650.3 Ų50.379%0.79329%0.294SS*.THydrogen-bonded Turntrans-70.3-31.4177.400000111.4D65D65-A67 VanDerWaalsContact C-N 3.34Å; D65-A67 PolarHBondContact OD1-N 2.95Å; D65-A67 VanDerWaalsContact OD1-N 3.09Å
68K96.3Very high97.3Very high135 Ų13544.1 Ų44.159%0.58727%0.267SS*.THydrogen-bonded Turntrans-97.6-7.5178.9-60-176.5-165.6163.70114D65 N66 I70D65-K68 HydrophobicContact CB-CB 4.31Å; D65-K68 PolarHBondContact O-N 3.21Å; D65-K68 PolarHBondContact OD1-N 2.97Å; D65-K68 WeakPolarHBondContact OD2-CD 3.33Å; D65-K68 VanDerWaalsContact OD2-CE 3.28Å; D65-K68 WeakPolarHBondContact OD2-CE 3.14Å; D65-K68 WeakPolarHBondContact OD2-CG 3.05Å; D65-K68 IonicContact OD2-NZ 2.94Å; N66-K68 VanDerWaalsContact C-N 3.29Å; N66-K68 PolarHBondContact O-N 2.94Å; K68-I70 VanDerWaalsContact C-N 3.29Å; K68-I70 HydrophobicContact CB-CB 4.49Å; K68-I70 HydrophobicContact CB-CD1 3.88Å; K68-I70 HydrophobicContact CB-CG1 3.89Å; K68-I70 WeakPolarHBondContact O-CG1 3.32Å; K68-I70 PolarHBondContact O-N 3.01Å
69N96.1Very high97.3Very high61 Ų6145 Ų4533%0.32625%0.247SC..THydrogen-bonded Turntrans54.642.3-170.5-56.7-43000112.7A16 F21 D65 N66A16-N69 HydrophobicContact CB-CB 4.43Å; A16-N69 PolarHBondContact N-O 3.18Å; F21-N69 HydrophobicContact CB-CB 3.96Å; F21-N69 VanDerWaalsContact CB-OD1 3.25Å; F21-N69 WeakPolarHBondContact CB-OD1 3.46Å; F21-N69 HydrophobicContact CG-CB 4.18Å; D65-N69 WeakPolarHBondContact O-CA 3.38Å; D65-N69 PolarHBondContact O-N 3.31Å; N66-N69 PolarHBondContact O-OD1 2.9Å
70I97.5Very high97.1Very high34 Ų3446.8 Ų46.817%0.17427%0.265CS..EExtended strand (participates in β ladder)trans-118.4129.4-177.8-55.7176.9000110.9C14 A15 R64 D65 K68 Y72C14-I70 WeakPolarHBondContact O-CA 3.47Å; A15-I70 HydrophobicContact CB-CG1 4.4Å; R64-I70 WeakPolarHBondContact CA-O 3.49Å; D65-I70 PolarHBondContact N-O 3.31Å; D65-I70 PolarHBondContact O-N 2.99Å; K68-I70 VanDerWaalsContact C-N 3.29Å; K68-I70 HydrophobicContact CB-CB 4.49Å; K68-I70 HydrophobicContact CB-CD1 3.88Å; K68-I70 HydrophobicContact CB-CG1 3.89Å; K68-I70 WeakPolarHBondContact O-CG1 3.32Å; K68-I70 PolarHBondContact O-N 3.01Å; I70-Y72 HydrophobicContact CB-CE1 4.42Å; I70-Y72 HydrophobicContact CB-CE2 3.94Å; I70-Y72 HydrophobicContact CG2-CD1 3.97Å; I70-Y72 HydrophobicContact CG2-CD2 4.23Å; I70-Y72 HydrophobicContact CG2-CE1 3.44Å; I70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; I70-Y72 HydrophobicContact CG2-CE2 3.71Å; I70-Y72 HydrophobicContact CG2-CG 4.35Å
71L97.9Very high97Very high0 Ų052.3 Ų52.30%029%0.291CS..EExtended strand (participates in β ladder)trans-95.2136.5167.4-170.370.4000110S13 C14 F21 M26 W28 I43 I62 R64 C88S13-L71 CarbonylContact C-O 3.48Å; S13-L71 VanDerWaalsContact CA-O 3.3Å; S13-L71 WeakPolarHBondContact CA-O 3.31Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 2.85Å; C14-L71 PolarHBondContact O-N 2.92Å; F21-L71 HydrophobicContact CE2-CB 4.31Å; F21-L71 HydrophobicContact CZ-CB 4.09Å; F21-L71 HydrophobicContact CZ-CD1 4.47Å; M26-L71 HydrophobicContact CB-CD1 3.64Å; M26-L71 HydrophobicContact CB-CD2 3.92Å; M26-L71 HydrophobicContact CB-CG 4.34Å; M26-L71 HydrophobicContact CE-CD2 4.33Å; M26-L71 HydrophobicContact CG-CD1 4.42Å; W28-L71 HydrophobicContact CG-CD2 4.4Å; I43-L71 HydrophobicContact CG2-CD1 3.6Å; I62-L71 HydrophobicContact CD1-CD1 3.97Å; I62-L71 HydrophobicContact CD1-CD2 4.4Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.95Å; I62-L71 HydrophobicContact CG1-CG 4.47Å; R64-L71 HydrophobicContact CB-CD1 4.15Å; L71-C88 HydrophobicContact CD2-CB 4.1Å
72Y98.2Very high96.9Very high40 Ų4048.8 Ų48.816%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-121.2149.2177.7-57.7-79.2000111.5K11 L12 W28 I62 S63 D65 I70K11-Y72 VanDerWaalsContact CE-CD1 3.44Å; L12-Y72 VanDerWaalsContact O-CA 3.24Å; L12-Y72 WeakPolarHBondContact O-CA 3.47Å; W28-Y72 PolarHBondContact NE1-O 2.77Å; I62-Y72 WeakPolarHBondContact CA-O 3.01Å; S63-Y72 PolarHBondContact N-O 3.07Å; S63-Y72 PolarHBondContact O-N 3.42Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; I70-Y72 HydrophobicContact CB-CE1 4.42Å; I70-Y72 HydrophobicContact CB-CE2 3.94Å; I70-Y72 HydrophobicContact CG2-CD1 3.97Å; I70-Y72 HydrophobicContact CG2-CD2 4.23Å; I70-Y72 HydrophobicContact CG2-CE1 3.44Å; I70-Y72 VanDerWaalsContact CG2-CE1 3.44Å; I70-Y72 HydrophobicContact CG2-CE2 3.71Å; I70-Y72 HydrophobicContact CG2-CG 4.35Å
73L98.5Very high96.8Very high0 Ų050.2 Ų50.20%028%0.278CS..EExtended strand (participates in β ladder)trans-127.9108.3166.2-170.567.1000108.4K11 L12 W28 V40 A41 F60 I62 M75 Y86K11-L73 WeakPolarHBondContact CA-O 3.01Å; L12-L73 HydrophobicContact CB-CB 4.25Å; L12-L73 HydrophobicContact CD1-CD2 4.43Å; L12-L73 PolarHBondContact N-O 3.43Å; L12-L73 PolarHBondContact O-N 2.72Å; W28-L73 HydrophobicContact CB-CD2 4.13Å; W28-L73 HydrophobicContact CD2-CB 4.06Å; W28-L73 HydrophobicContact CD2-CD2 4.18Å; W28-L73 HydrophobicContact CG-CB 4.05Å; W28-L73 HydrophobicContact CG-CD1 4.3Å; W28-L73 HydrophobicContact CG-CD2 3.95Å; W28-L73 HydrophobicContact CG-CG 4.33Å; W28-L73 HydrophobicContact CZ2-CB 4.33Å; V40-L73 HydrophobicContact CG1-CD2 4.02Å; A41-L73 HydrophobicContact CB-CD1 4.05Å; F60-L73 HydrophobicContact CB-CD1 4.3Å; F60-L73 HydrophobicContact CD2-CD2 4.3Å; I62-L73 HydrophobicContact CB-CD1 4.29Å; L73-M75 HydrophobicContact CD2-CG 3.81Å; L73-M75 HydrophobicContact CD2-SD 3.85Å; L73-M75 HydrophobicContact CG-CG 3.8Å; L73-M75 HydrophobicContact CG-SD 4.36Å; L73-Y86 HydrophobicContact CD2-CD1 4.13Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å
74Q98.3Very high96.8Very high64 Ų6448.1 Ų48.130%0.29926%0.264SS..EExtended strand (participates in β ladder)trans-80.7121.7167.3-176.763.141.800108F60 T61F60-Q74 CarbonylContact C-O 3.51Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.31Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.02Å
75M98Very high96.8Very high0 Ų048.4 Ų48.40%027%0.267CS..EExtended strand (participates in β ladder)trans-115.7116.1-179.9-59.6163.161.700108.1S9 L10 L12 F60 L73 L78 Y86 V105S9-M75 CarbonylContact C-O 3.52Å; S9-M75 WeakPolarHBondContact CA-O 3.31Å; S9-M75 WeakPolarHBondContact CB-O 3.4Å; L10-M75 PolarHBondContact N-O 2.8Å; L10-M75 PolarHBondContact O-N 3.15Å; L12-M75 HydrophobicContact CD1-SD 3.65Å; L12-M75 HydrophobicContact CG-SD 3.82Å; F60-M75 HydrophobicContact CD1-CB 3.83Å; F60-M75 HydrophobicContact CD1-CG 4.06Å; F60-M75 HydrophobicContact CD2-CG 4.04Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.49Å; F60-M75 HydrophobicContact CE1-CG 4.08Å; F60-M75 HydrophobicContact CE2-CE 3.99Å; F60-M75 HydrophobicContact CE2-CG 4.04Å; F60-M75 HydrophobicContact CG-CB 4.34Å; F60-M75 HydrophobicContact CG-CG 4.07Å; F60-M75 HydrophobicContact CZ-CB 4.15Å; F60-M75 HydrophobicContact CZ-CE 3.79Å; F60-M75 HydrophobicContact CZ-CG 4.08Å; L73-M75 HydrophobicContact CD2-CG 3.81Å; L73-M75 HydrophobicContact CD2-SD 3.85Å; L73-M75 HydrophobicContact CG-CG 3.8Å; L73-M75 HydrophobicContact CG-SD 4.36Å; M75-L78 HydrophobicContact CB-CD1 4.48Å; M75-L78 HydrophobicContact CB-CD2 3.99Å; M75-L78 HydrophobicContact CB-CG 4.32Å; M75-L78 HydrophobicContact CE-CD2 3.49Å; M75-L78 VanDerWaalsContact CE-CD2 3.49Å; M75-Y86 HydrophobicContact CE-CE1 3.83Å; M75-Y86 HydrophobicContact CE-CE2 3.94Å; M75-Y86 VanDerWaalsContact CE-CZ 3.48Å; M75-Y86 WeakPolarHBondContact CE-OH 3.22Å; M75-Y86 HydrophobicContact SD-CE1 4.27Å; M75-V105 HydrophobicContact CE-CG1 4.11Å; M75-V105 HydrophobicContact CE-CG2 4.48Å
76S97.5Very high96.9Very high38 Ų3846.5 Ų46.527%0.26626%0.257SS..  trans-115.8158.1178.8-55.10000110.6R59 L78R59-S76 WeakPolarHBondContact CB-O 3.24Å; R59-S76 WeakPolarHBondContact O-CB 3.4Å; R59-S76 PolarHBondContact O-N 3.28Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.85Å
77S96.8Very high97Very high69 Ų6945.7 Ų45.748%0.48325%0.249SC..SBendtrans50.451.8178.3-55.50000112.1G8 R59G8-S77 PolarHBondContact O-N 3.07Å; R59-S77 PolarHBondContact NH1-O 3.29Å
78L97Very high97.1Very high2 Ų241.6 Ų41.61%0.0122%0.215CC..  trans-63.9141.9-177-79.7169.9000112.2V4 P6 G7 G8 L10 F60 M75 S76 D82 V107V4-L78 HydrophobicContact CB-CD1 4.13Å; V4-L78 HydrophobicContact CG1-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.68Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.43Å; G7-L78 PolarHBondContact N-O 3.48Å; G8-L78 PolarHBondContact O-N 3.09Å; L10-L78 HydrophobicContact CB-CD1 4.02Å; F60-L78 HydrophobicContact CE1-CD2 3.85Å; F60-L78 HydrophobicContact CZ-CD2 3.82Å; M75-L78 HydrophobicContact CB-CD1 4.48Å; M75-L78 HydrophobicContact CB-CD2 3.99Å; M75-L78 HydrophobicContact CB-CG 4.32Å; M75-L78 HydrophobicContact CE-CD2 3.49Å; M75-L78 VanDerWaalsContact CE-CD2 3.49Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.85Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; L78-V107 HydrophobicContact CB-CG1 4.28Å; L78-V107 HydrophobicContact CB-CG2 4.02Å; L78-V107 HydrophobicContact CD1-CG2 4.36Å; L78-V107 HydrophobicContact CD2-CG2 4.36Å; L78-V107 HydrophobicContact CG-CG2 4.5Å
79K96Very high97Very high102 Ų10235.3 Ų35.344%0.44319%0.188SC..  trans-117.6163.1177.7-52.9-179.6-179.2-179.50110.5E81 D82 V107K79-E81 WeakPolarHBondContact CB-OE2 3.41Å; K79-E81 WeakPolarHBondContact CD-OE2 3.14Å; K79-E81 PolarHBondContact O-N 2.82Å; K79-D82 PolarHBondContact N-OD2 2.81Å; K79-D82 WeakPolarHBondContact O-CB 3.42Å; K79-D82 PolarHBondContact O-N 2.79Å; K79-V107 WeakPolarHBondContact O-CB 3.3Å; K79-V107 WeakPolarHBondContact O-CG1 3.28Å; K79-V107 WeakPolarHBondContact O-CG2 3.14Å
80S94.8Very high96.9Very high70 Ų7033.3 Ų33.349%0.4918%0.176SC..G310 helixtrans-49.9-40.6173.222.20000112.1D82 T83S80-D82 PolarHBondContact O-N 2.87Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.99Å; S80-T83 PolarHBondContact O-OG1 2.87Å
81E94.6Very high96.3Very high119 Ų11932.1 Ų32.156%0.55617%0.171SC*.G310 helixtrans-68.2-12-179.9-49.677.4-123.900113.6K79 T83K79-E81 WeakPolarHBondContact CB-OE2 3.41Å; K79-E81 WeakPolarHBondContact CD-OE2 3.14Å; K79-E81 PolarHBondContact O-N 2.82Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82D96.6Very high95.2Very high2 Ų234.8 Ų34.81%0.01119%0.186CC..G310 helixtrans-86.1-0.1173-57.6-49.3000112.5R30 R59 F60 L78 K79 S80 A84 Y86 V107R30-D82 IonicContact NH1-OD1 3.34Å; R30-D82 PolarHBondContact NH1-OD1 2.99Å; R59-D82 IonicContact CZ-OD1 3.61Å; R59-D82 IonicContact CZ-OD2 3.88Å; R59-D82 IonicContact NH1-OD1 3.6Å; R59-D82 IonicContact NH1-OD2 3.82Å; R59-D82 PolarHBondContact NH1-OD2 2.94Å; R59-D82 IonicContact NH2-OD1 3.58Å; R59-D82 PolarHBondContact NH2-OD1 2.91Å; R59-D82 IonicContact NH2-OD2 2.98Å; R59-D82 PolarHBondContact NH2-OD2 2.93Å; F60-D82 HydrophobicContact CZ-CB 4.21Å; L78-D82 HydrophobicContact CD2-CB 3.68Å; K79-D82 PolarHBondContact N-OD2 2.81Å; K79-D82 WeakPolarHBondContact O-CB 3.42Å; K79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.24Å; D82-Y86 VanDerWaalsContact O-OH 3.05Å; D82-V107 HydrophobicContact CB-CG2 4.47Å
83T97.3Very high93.7Very high36 Ų3643.7 Ų43.722%0.22122%0.219CC..  trans-65.1112.5169.7-63.80000109.5P33 S80 E81 V105 T106 V107P33-T83 WeakPolarHBondContact CD-O 3.46Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.37Å; S80-T83 PolarHBondContact O-N 2.99Å; S80-T83 PolarHBondContact O-OG1 2.87Å; E81-T83 VanDerWaalsContact C-N 3.27Å; T83-V105 WeakPolarHBondContact CA-O 3.2Å; T83-T106 HydrophobicContact CG2-CG2 4.42Å; T83-V107 PolarHBondContact OG1-N 3.07Å; T83-V107 PolarHBondContact OG1-O 2.96Å
84A97.6Very high92.2Very high5 Ų554.3 Ų54.34%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-165.3169.8-177.500000110.7R30 Q31 D82 Y86 V105R30-A84 HydrophobicContact CB-CB 3.82Å; R30-A84 HydrophobicContact CG-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.24Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; A84-V105 PolarHBondContact N-O 3.39Å; A84-V105 VanDerWaalsContact N-O 3.1Å; A84-V105 PolarHBondContact O-N 3.1Å
85M98Very high90.9Very high43 Ų4353.8 Ų53.821%0.21227%0.268CS..EExtended strand (participates in β ladder)trans-88.3118.3166.9-127.8-39.1-53.400108.6R30 Q31 Y87 T103 S104R30-M85 CarbonylContact C-O 3.46Å; R30-M85 VanDerWaalsContact CA-O 3.23Å; R30-M85 WeakPolarHBondContact CA-O 3.45Å; Q31-M85 HydrophobicContact CB-CB 4.32Å; Q31-M85 PolarHBondContact N-O 2.84Å; Q31-M85 PolarHBondContact O-N 2.99Å; M85-Y87 HydrophobicContact CB-CE2 3.96Å; M85-Y87 HydrophobicContact CE-CD1 3.73Å; M85-Y87 HydrophobicContact CE-CD2 3.92Å; M85-Y87 HydrophobicContact CE-CE1 3.33Å; M85-Y87 HydrophobicContact CE-CE2 3.54Å; M85-Y87 HydrophobicContact CE-CG 4.01Å; M85-Y87 WeakPolarHBondContact O-CE2 3.39Å; M85-T103 PolarHBondContact SD-N 2.88Å; M85-T103 VanDerWaalsContact SD-N 3.44Å; M85-S104 PolarHBondContact SD-N 3.45Å
86Y98.1Very high90Very high0 Ų057 Ų570%028%0.283CS..EExtended strand (participates in β ladder)trans-101.1125.8-176.8-75.8-103.3000112.7L12 V29 R30 V40 F60 L73 M75 D82 A84 G102 T103 V105L12-Y86 HydrophobicContact CD1-CD1 4.04Å; L12-Y86 HydrophobicContact CD1-CD2 4.47Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.25Å; R30-Y86 HydrophobicContact CB-CD1 3.95Å; R30-Y86 HydrophobicContact CB-CD2 4.37Å; R30-Y86 HydrophobicContact CB-CE1 3.88Å; R30-Y86 HydrophobicContact CB-CE2 4.29Å; R30-Y86 HydrophobicContact CB-CG 4.2Å; R30-Y86 PolarHBondContact NH1-OH 3.08Å; V40-Y86 HydrophobicContact CG1-CE1 4.32Å; V40-Y86 HydrophobicContact CG2-CE1 4.12Å; F60-Y86 HydrophobicContact CE2-CE1 4.34Å; L73-Y86 HydrophobicContact CD2-CD1 4.13Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å; M75-Y86 HydrophobicContact CE-CE1 3.83Å; M75-Y86 HydrophobicContact CE-CE2 3.94Å; M75-Y86 VanDerWaalsContact CE-CZ 3.48Å; M75-Y86 WeakPolarHBondContact CE-OH 3.22Å; M75-Y86 HydrophobicContact SD-CE1 4.27Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 3.24Å; D82-Y86 VanDerWaalsContact O-OH 3.05Å; A84-Y86 HydrophobicContact CB-CD2 4.22Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-Y86 WeakPolarHBondContact O-CD2 3.39Å; Y86-G102 CarbonylContact O-C 3.56Å; Y86-G102 WeakPolarHBondContact O-CA 3.39Å; Y86-T103 PolarHBondContact N-O 3.17Å; Y86-T103 PolarHBondContact O-N 2.76Å; Y86-V105 HydrophobicContact CD2-CB 3.83Å; Y86-V105 HydrophobicContact CD2-CG2 3.63Å; Y86-V105 HydrophobicContact CE2-CB 3.81Å; Y86-V105 HydrophobicContact CE2-CG1 4.43Å; Y86-V105 HydrophobicContact CE2-CG2 4.01Å; Y86-V105 HydrophobicContact CG-CG2 4.38Å
87Y97.6Very high89.3Confident43 Ų4357.9 Ų57.917%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-115.9134.4180-53.9-89.6000110W28 V29 Q31 M85 W99 G100W28-Y87 CarbonylContact C-O 3.46Å; W28-Y87 WeakPolarHBondContact CA-O 3.31Å; V29-Y87 PolarHBondContact N-O 3.04Å; V29-Y87 PolarHBondContact O-N 2.74Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 3.1Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.09Å; M85-Y87 HydrophobicContact CB-CE2 3.96Å; M85-Y87 HydrophobicContact CE-CD1 3.73Å; M85-Y87 HydrophobicContact CE-CD2 3.92Å; M85-Y87 HydrophobicContact CE-CE1 3.33Å; M85-Y87 HydrophobicContact CE-CE2 3.54Å; M85-Y87 HydrophobicContact CE-CG 4.01Å; M85-Y87 WeakPolarHBondContact O-CE2 3.39Å; Y87-W99 HydrophobicContact CG-CE3 4.19Å; Y87-W99 HydrophobicContact CG-CZ3 4.5Å; Y87-G100 WeakPolarHBondContact CD1-O 3.31Å
88C96.4Very high88.9Confident11 Ų1161.4 Ų61.47%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-82.4147.3159.755.60000109.1C14 Y27 W28 L71 G100C14-C88 HydrophobicContact CB-CB 3.4Å; C14-C88 VanDerWaalsContact CB-CB 3.4Å; C14-C88 WeakPolarHBondContact CB-SG 3.35Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å; Y27-C88 CarbonylContact O-C 3.59Å; Y27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.48Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.22Å; W28-C88 HydrophobicContact CZ2-CB 4.32Å; W28-C88 HydrophobicContact CZ3-CB 4.23Å; L71-C88 HydrophobicContact CD2-CB 4.1Å; C88-G100 PolarHBondContact O-N 3.04Å
89A95.3Very high88.7Confident3 Ų366.4 Ų66.43%0.02531%0.308CS..EExtended strand (participates in β ladder)trans-142.3159175.500000110.9M26 Y27 V29 M96 Y98 W99M26-A89 VanDerWaalsContact CE-O 3.31Å; M26-A89 WeakPolarHBondContact CE-O 3.44Å; Y27-A89 VanDerWaalsContact CB-O 3.31Å; Y27-A89 WeakPolarHBondContact CB-O 3.45Å; Y27-A89 PolarHBondContact N-O 3.25Å; Y27-A89 PolarHBondContact O-N 2.84Å; V29-A89 HydrophobicContact CG2-CB 4.36Å; A89-M96 HydrophobicContact CB-CE 3.37Å; A89-Y98 CarbonylContact C-O 3.46Å; A89-Y98 WeakPolarHBondContact CA-O 3.25Å; A89-Y98 WeakPolarHBondContact CB-O 3.45Å; A89-W99 HydrophobicContact CB-CD2 4.01Å; A89-W99 HydrophobicContact CB-CE3 4.31Å; A89-W99 HydrophobicContact CB-CG 4.27Å
90R92.8Very high88.6Confident19 Ų1962.8 Ų62.87%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-109.6144.4170.9-174.4-17477.4179.312.6108F19 Y24 M26 M96 D97 Y98F19-R90 VanDerWaalsContact CE2-CD 3.45Å; F19-R90 HydrophobicContact CE2-CG 4.19Å; F19-R90 HydrophobicContact CZ-CB 4.47Å; F19-R90 HydrophobicContact CZ-CG 4.41Å; Y24-R90 HydrophobicContact CD1-CG 3.85Å; Y24-R90 HydrophobicContact CD2-CG 4.42Å; Y24-R90 VanDerWaalsContact CG-CD 3.5Å; Y24-R90 HydrophobicContact CG-CG 3.69Å; M26-R90 HydrophobicContact CE-CB 4.39Å; M26-R90 HydrophobicContact SD-CB 4.12Å; M26-R90 HydrophobicContact SD-CG 4.09Å; R90-M96 CarbonylContact O-C 3.57Å; R90-M96 VanDerWaalsContact O-CA 3.29Å; R90-M96 WeakPolarHBondContact O-CA 3.45Å; R90-D97 IonicContact CZ-OD1 3.43Å; R90-D97 IonicContact CZ-OD2 2.96Å; R90-D97 IonicContact NE-OD1 3.58Å; R90-D97 PolarHBondContact NE-OD1 3.31Å; R90-D97 IonicContact NE-OD2 2.72Å; R90-D97 VanDerWaalsContact NH2-CG 3.34Å; R90-D97 IonicContact NH2-OD1 2.99Å; R90-D97 PolarHBondContact NH2-OD1 2.99Å; R90-D97 IonicContact NH2-OD2 2.81Å; R90-D97 PolarHBondContact NH2-OD2 2.76Å; R90-D97 PolarHBondContact O-N 3.26Å; R90-Y98 PolarHBondContact N-O 3.44Å
91A84.4Confident88.5Confident8 Ų868.5 Ų68.57%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-123.3143.6163.400000111.1Y25 Y27 A95 M96Y25-A91 PolarHBondContact O-N 3.08Å; Y27-A91 HydrophobicContact CD2-CB 3.94Å; Y27-A91 HydrophobicContact CE1-CB 4.39Å; Y27-A91 HydrophobicContact CE2-CB 3.18Å; A91-A95 VanDerWaalsContact CA-O 3.28Å; A91-A95 WeakPolarHBondContact CA-O 3.31Å; A91-M96 HydrophobicContact CB-CG 3.78Å
92N75.8Confident88.6Confident57 Ų5764.4 Ų64.431%0.30531%0.308SS..EExtended strand (participates in β ladder)trans-95.7173.3157.571.335.7000108.9Y24 Y94 A95 D97Y24-N92 HydrophobicContact CD1-CB 4.46Å; Y24-N92 HydrophobicContact CE1-CB 4.24Å; N92-Y94 PolarHBondContact O-N 3.24Å; N92-Y94 WeakPolarHBondContact OD1-CA 3.31Å; N92-Y94 PolarHBondContact OD1-N 2.95Å; N92-A95 PolarHBondContact N-O 3.47Å; N92-A95 PolarHBondContact O-N 3.33Å; N92-A95 PolarHBondContact OD1-N 2.97Å; N92-A95 PolarHBondContact OD1-O 3.05Å; N92-D97 PolarHBondContact ND2-OD2 3.18Å
93W66.6Low88.6Confident226 Ų22665.7 Ų65.786%0.85632%0.316SS*.THydrogen-bonded Turntrans-53.3-12.3-178.1-62.398.6000115.6
94Y66.4Low88.6Confident223 Ų22367 Ų6788%0.87533%0.326SS*.THydrogen-bonded Turntrans-119.1-24.9-174.4-56.3-77.7000114.3N92N92-Y94 PolarHBondContact O-N 3.24Å; N92-Y94 WeakPolarHBondContact OD1-CA 3.31Å; N92-Y94 PolarHBondContact OD1-N 2.95Å
95A72.2Confident88.5Confident54 Ų5466.8 Ų66.845%0.44633%0.325SS..EExtended strand (participates in β ladder)trans-164.9159.1-178.800000114.2A91 N92 D97A91-A95 VanDerWaalsContact CA-O 3.28Å; A91-A95 WeakPolarHBondContact CA-O 3.31Å; N92-A95 PolarHBondContact N-O 3.47Å; N92-A95 PolarHBondContact O-N 3.33Å; N92-A95 PolarHBondContact OD1-N 2.97Å; N92-A95 PolarHBondContact OD1-O 3.05Å; A95-D97 PolarHBondContact O-N 3.42Å
96M78.1Confident88.5Confident66 Ų6667.3 Ų67.333%0.32533%0.33SS..EExtended strand (participates in β ladder)trans-78.997.2161.4-74.8169.688.100109.3Y27 V29 W39 A89 R90 A91 W99Y27-M96 HydrophobicContact CD1-CE 3.93Å; Y27-M96 HydrophobicContact CD1-SD 4.26Å; Y27-M96 HydrophobicContact CG-CE 3.91Å; V29-M96 HydrophobicContact CG2-CE 3.48Å; V29-M96 VanDerWaalsContact CG2-CE 3.48Å; W39-M96 HydrophobicContact CE3-CE 4.48Å; W39-M96 HydrophobicContact CZ3-CE 4.11Å; A89-M96 HydrophobicContact CB-CE 3.37Å; R90-M96 CarbonylContact O-C 3.57Å; R90-M96 VanDerWaalsContact O-CA 3.29Å; R90-M96 WeakPolarHBondContact O-CA 3.45Å; A91-M96 HydrophobicContact CB-CG 3.78Å; M96-W99 HydrophobicContact CB-CZ2 4.42Å; M96-W99 HydrophobicContact CE-CH2 4.22Å; M96-W99 HydrophobicContact CE-CZ2 3.91Å; M96-W99 HydrophobicContact SD-CZ2 4.29Å
97D82.4Confident88.4Confident57 Ų5767.7 Ų67.731%0.30533%0.333SS..EExtended strand (participates in β ladder)trans-94.3-22.9-167.657.8-6.1000113.7R90 N92 A95R90-D97 IonicContact CZ-OD1 3.43Å; R90-D97 IonicContact CZ-OD2 2.96Å; R90-D97 IonicContact NE-OD1 3.58Å; R90-D97 PolarHBondContact NE-OD1 3.31Å; R90-D97 IonicContact NE-OD2 2.72Å; R90-D97 VanDerWaalsContact NH2-CG 3.34Å; R90-D97 IonicContact NH2-OD1 2.99Å; R90-D97 PolarHBondContact NH2-OD1 2.99Å; R90-D97 IonicContact NH2-OD2 2.81Å; R90-D97 PolarHBondContact NH2-OD2 2.76Å; R90-D97 PolarHBondContact O-N 3.26Å; N92-D97 PolarHBondContact ND2-OD2 3.18Å; A95-D97 PolarHBondContact O-N 3.42Å
98Y88.3Confident88.1Confident143 Ų14368.2 Ų68.256%0.56134%0.342SS*.EExtended strand (participates in β ladder)trans-132.6138.3178.3-75.9-93.5000112.9A89 R90A89-Y98 CarbonylContact C-O 3.46Å; A89-Y98 WeakPolarHBondContact CA-O 3.25Å; A89-Y98 WeakPolarHBondContact CB-O 3.45Å; R90-Y98 PolarHBondContact N-O 3.44Å
99W93.6Very high87.4Confident108 Ų10874.6 Ų74.641%0.40939%0.388SS..EExtended strand (participates in β ladder)trans-127.1137.3179.1-66.870000109.7V29 L37 Y87 A89 M96V29-W99 HydrophobicContact CB-CH2 4.01Å; V29-W99 HydrophobicContact CB-CZ3 3.63Å; V29-W99 HydrophobicContact CG1-CH2 3.82Å; V29-W99 HydrophobicContact CG1-CZ3 3.76Å; V29-W99 HydrophobicContact CG2-CE3 4.25Å; V29-W99 HydrophobicContact CG2-CH2 3.5Å; V29-W99 HydrophobicContact CG2-CZ2 4.35Å; V29-W99 HydrophobicContact CG2-CZ3 3.43Å; V29-W99 VanDerWaalsContact CG2-CZ3 3.43Å; L37-W99 HydrophobicContact CD1-CH2 4.49Å; L37-W99 HydrophobicContact CD2-CZ3 4.38Å; Y87-W99 HydrophobicContact CG-CE3 4.19Å; Y87-W99 HydrophobicContact CG-CZ3 4.5Å; A89-W99 HydrophobicContact CB-CD2 4.01Å; A89-W99 HydrophobicContact CB-CE3 4.31Å; A89-W99 HydrophobicContact CB-CG 4.27Å; M96-W99 HydrophobicContact CB-CZ2 4.42Å; M96-W99 HydrophobicContact CE-CH2 4.22Å; M96-W99 HydrophobicContact CE-CZ2 3.91Å; M96-W99 HydrophobicContact SD-CZ2 4.29Å
100G93.8Very high87Confident26 Ų2678.2 Ų78.227%0.26841%0.406SS..  trans-70164.1170.200000111.5Y87 C88 G102Y87-G100 WeakPolarHBondContact CD1-O 3.31Å; C88-G100 PolarHBondContact O-N 3.04Å; G100-G102 PolarHBondContact O-N 2.94Å; G100-G102 VanDerWaalsContact O-N 3.12Å
101Q93.6Very high86.7Confident189 Ų18981.3 Ų81.388%0.88342%0.423SS*.  trans-59.2-24.7175.8-63.3-62-39.900112.9
102G94.9Very high86.9Confident33 Ų3385.4 Ų85.434%0.3444%0.443SS..  trans82.9163.717800000114.1Y86 G100Y86-G102 CarbonylContact O-C 3.56Å; Y86-G102 WeakPolarHBondContact O-CA 3.39Å; G100-G102 PolarHBondContact O-N 2.94Å; G100-G102 VanDerWaalsContact O-N 3.12Å
103T96.8Very high87.5Confident30 Ų3087.1 Ų87.118%0.18445%0.451CS..EExtended strand (participates in β ladder)trans-136.1128.5-176.4176.70000111.6G1 L12 W28 M85 Y86G1-T103 WeakPolarHBondContact CA-OG1 3.24Å; G1-T103 PolarHBondContact N-OG1 2.81Å; L12-T103 HydrophobicContact CD1-CG2 3.86Å; L12-T103 HydrophobicContact CD2-CG2 3.9Å; L12-T103 HydrophobicContact CG-CG2 4.36Å; W28-T103 HydrophobicContact CZ3-CG2 4.44Å; M85-T103 PolarHBondContact SD-N 2.88Å; M85-T103 VanDerWaalsContact SD-N 3.44Å; Y86-T103 PolarHBondContact N-O 3.17Å; Y86-T103 PolarHBondContact O-N 2.76Å
104S96.9Very high88.8Confident63 Ų6378.4 Ų78.444%0.44143%0.426SS..EExtended strand (participates in β ladder)trans-75.2132.8178.3-176.60000110.7G1 G2 M85G1-S104 CarbonylContact C-O 3.58Å; G1-S104 WeakPolarHBondContact CA-O 3.19Å; G2-S104 PolarHBondContact N-O 3.16Å; G2-S104 VanDerWaalsContact N-O 3.12Å; M85-S104 PolarHBondContact SD-N 3.45Å
105V97.5Very high90.3Very high0 Ų068.7 Ų68.70%040%0.396CS..EExtended strand (participates in β ladder)trans-121.4126.7171.7177.90000107.8V4 L10 L12 M75 T83 A84 Y86 V107V4-V105 HydrophobicContact CG2-CG1 4.42Å; L10-V105 HydrophobicContact CD2-CG1 3.99Å; L10-V105 HydrophobicContact CD2-CG2 3.8Å; L12-V105 HydrophobicContact CD1-CG2 4.12Å; L12-V105 HydrophobicContact CD2-CG2 3.97Å; M75-V105 HydrophobicContact CE-CG1 4.11Å; M75-V105 HydrophobicContact CE-CG2 4.48Å; T83-V105 WeakPolarHBondContact CA-O 3.2Å; A84-V105 PolarHBondContact N-O 3.39Å; A84-V105 VanDerWaalsContact N-O 3.1Å; A84-V105 PolarHBondContact O-N 3.1Å; Y86-V105 HydrophobicContact CD2-CB 3.83Å; Y86-V105 HydrophobicContact CD2-CG2 3.63Å; Y86-V105 HydrophobicContact CE2-CB 3.81Å; Y86-V105 HydrophobicContact CE2-CG1 4.43Å; Y86-V105 HydrophobicContact CE2-CG2 4.01Å; Y86-V105 HydrophobicContact CG-CG2 4.38Å; V105-V107 HydrophobicContact CG1-CG2 4.4Å
106T97.1Very high91.6Very high54 Ų5469.8 Ų69.833%0.33139%0.392SS..EExtended strand (participates in β ladder)trans-121.6126.7178.9-540000109.3G2 L3 V4 T83G2-T106 PolarHBondContact O-N 3.48Å; L3-T106 WeakPolarHBondContact CA-O 3.36Å; L3-T106 HydrophobicContact CD1-CG2 3.78Å; V4-T106 PolarHBondContact N-O 3.4Å; T83-T106 HydrophobicContact CG2-CG2 4.42Å
107V95.6Very high92.7Very high8 Ų870.1 Ų70.15%0.04840%0.398CS..EExtended strand (participates in β ladder)trans-113.9102.4177.1-171.40000108.8V4 P6 L78 K79 D82 T83 V105V4-V107 VanDerWaalsContact O-CA 3.24Å; V4-V107 WeakPolarHBondContact O-CA 3.41Å; P6-V107 HydrophobicContact CB-CG1 4.44Å; P6-V107 HydrophobicContact CG-CG1 4.12Å; L78-V107 HydrophobicContact CB-CG1 4.28Å; L78-V107 HydrophobicContact CB-CG2 4.02Å; L78-V107 HydrophobicContact CD1-CG2 4.36Å; L78-V107 HydrophobicContact CD2-CG2 4.36Å; L78-V107 HydrophobicContact CG-CG2 4.5Å; K79-V107 WeakPolarHBondContact O-CB 3.3Å; K79-V107 WeakPolarHBondContact O-CG1 3.28Å; K79-V107 WeakPolarHBondContact O-CG2 3.14Å; D82-V107 HydrophobicContact CB-CG2 4.47Å; T83-V107 PolarHBondContact OG1-N 3.07Å; T83-V107 PolarHBondContact OG1-O 2.96Å; V105-V107 HydrophobicContact CG1-CG2 4.4Å
108S91.9Very high93.5Very high54 Ų5471.2 Ų71.238%0.37841%0.405SS..  trans-144.4153.6-179.767.70000111.3L3 V4L3-S108 WeakPolarHBondContact CD1-OG 3.37Å; V4-S108 PolarHBondContact O-N 3.09Å; V4-S108 VanDerWaalsContact O-N 3.15Å
109S82.3Confident94Very high146 Ų14664.6 Ų64.6100%1.02139%0.391SS*.  trans-73.20177.856.30000112.9

Retrieved 109 of 109 residues in 23.3 ms (Link to these results)

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