X5J5I1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5I1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 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
1T95.1Very high93.4Very high106 Ų10661.8 Ų61.865%0.6543%0.426SS*.  0145.50-55.40000109.6Q57 V58 F59T1-Q57 HydrophobicContact CG2-CB 4.34Å; T1-Q57 HydrophobicContact CG2-CG 4.22Å; T1-V58 CarbonylContact C-O 3.38Å; T1-V58 WeakPolarHBondContact CA-O 3.48Å; T1-F59 HydrophobicContact CG2-CD1 3.7Å; T1-F59 HydrophobicContact CG2-CE1 3.45Å; T1-F59 VanDerWaalsContact CG2-CE1 3.45Å; T1-F59 HydrophobicContact CG2-CZ 4.24Å; T1-F59 WeakPolarHBondContact OG1-CD1 3.2Å
2C95.8Very high93.3Very high12 Ų1264.9 Ų64.98%0.08142%0.423CS..EExtended strand (participates in β ladder)trans-127.1119.3173.5174.60000109W16 Q57 V58 C75C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.73Å; C2-Q57 CarbonylContact O-C 3.53Å; C2-Q57 WeakPolarHBondContact O-CA 3.42Å; C2-V58 PolarHBondContact N-O 3.48Å; C2-V58 PolarHBondContact O-N 2.02Å; C2-C75 HydrophobicContact CB-CB 3.42Å; C2-C75 VanDerWaalsContact CB-CB 3.42Å; C2-C75 WeakPolarHBondContact CB-SG 3.34Å; C2-C75 WeakPolarHBondContact SG-CB 3.36Å; C2-C75 CovalentContact SG-SG 2.02Å; C2-C75 PolarHBondContact SG-SG 3.34Å
3T96Very high93.4Very high95 Ų9560.3 Ų60.358%0.58339%0.394SS*.EExtended strand (participates in β ladder)trans-91.4126.7171.7-54.70000108.1Q57T3-Q57 HydrophobicContact CG2-CG 4.32Å; T3-Q57 PolarHBondContact OG1-NE2 3.27Å
4V93.1Very high93.6Very high14 Ų1456.1 Ų56.19%0.08537%0.366CS..  trans-100.1147.3179-56.20000110.9F7 L9 V14 S56V4-F7 HydrophobicContact CB-CE1 3.77Å; V4-F7 HydrophobicContact CB-CE2 4.17Å; V4-F7 HydrophobicContact CB-CZ 3.57Å; V4-F7 HydrophobicContact CG1-CE1 4.14Å; V4-F7 HydrophobicContact CG1-CE2 4.25Å; V4-F7 HydrophobicContact CG1-CZ 3.55Å; V4-F7 HydrophobicContact CG2-CE1 4.46Å; V4-F7 HydrophobicContact CG2-CE2 4.14Å; V4-F7 HydrophobicContact CG2-CZ 4.05Å; V4-L9 HydrophobicContact CB-CD2 4.4Å; V4-L9 HydrophobicContact CG1-CD2 4.05Å; V4-L9 HydrophobicContact CG2-CD1 4.15Å; V4-L9 HydrophobicContact CG2-CD2 3.49Å; V4-L9 VanDerWaalsContact CG2-CD2 3.49Å; V4-L9 HydrophobicContact CG2-CG 3.62Å; V4-V14 HydrophobicContact CG1-CG2 4.1Å; V4-S56 WeakPolarHBondContact CG2-O 3.42Å; V4-S56 PolarHBondContact N-O 3.03Å
5S91.9Very high93.8Very high107 Ų10752.5 Ų52.575%0.74834%0.343SS*.  trans-138.3154.8173.562.60000109.8F7S5-F7 VanDerWaalsContact C-N 3.3Å; S5-F7 WeakPolarHBondContact O-CD1 3.38Å; S5-F7 PolarHBondContact O-N 3.27Å
6G90.1Very high94Very high88 Ų8850.1 Ų50.191%0.90733%0.325SS*.SBendtrans78.73.7-179.900000115.6
7F90.3Very high94.1Very high39 Ų3947.2 Ų47.217%0.17131%0.306CS..SBendtrans-157.3161.1170.166.4-85.4000112.5V4 S5 L9 Y12 V14 K77V4-F7 HydrophobicContact CB-CE1 3.77Å; V4-F7 HydrophobicContact CB-CE2 4.17Å; V4-F7 HydrophobicContact CB-CZ 3.57Å; V4-F7 HydrophobicContact CG1-CE1 4.14Å; V4-F7 HydrophobicContact CG1-CE2 4.25Å; V4-F7 HydrophobicContact CG1-CZ 3.55Å; V4-F7 HydrophobicContact CG2-CE1 4.46Å; V4-F7 HydrophobicContact CG2-CE2 4.14Å; V4-F7 HydrophobicContact CG2-CZ 4.05Å; S5-F7 VanDerWaalsContact C-N 3.3Å; S5-F7 WeakPolarHBondContact O-CD1 3.38Å; S5-F7 PolarHBondContact O-N 3.27Å; F7-L9 HydrophobicContact CE2-CD2 4.08Å; F7-Y12 HydrophobicContact CB-CD2 3.86Å; F7-Y12 HydrophobicContact CB-CE2 4.21Å; F7-Y12 HydrophobicContact CD2-CD2 4Å; F7-Y12 HydrophobicContact CD2-CG 4.17Å; F7-Y12 HydrophobicContact CG-CD2 4.31Å; F7-V14 HydrophobicContact CE2-CG2 3.97Å; F7-V14 HydrophobicContact CZ-CG2 4.01Å; F7-K77 HydrophobicContact CD1-CD 3.75Å; F7-K77 HydrophobicContact CD1-CG 4.19Å; F7-K77 HydrophobicContact CD2-CD 4.38Å; F7-K77 HydrophobicContact CD2-CG 4.34Å; F7-K77 HydrophobicContact CE1-CB 3.88Å; F7-K77 HydrophobicContact CE1-CD 3.91Å; F7-K77 HydrophobicContact CE1-CG 3.87Å; F7-K77 HydrophobicContact CE2-CG 4.03Å; F7-K77 HydrophobicContact CG-CD 3.99Å; F7-K77 HydrophobicContact CG-CG 4.39Å; F7-K77 HydrophobicContact CZ-CB 3.85Å; F7-K77 HydrophobicContact CZ-CD 4.27Å; F7-K77 HydrophobicContact CZ-CG 3.77Å
8S93.1Very high94.1Very high54 Ų5445.9 Ų45.938%0.37829%0.294SS..  trans-89134.2174.61800000112.2T10 S11 Y12S8-T10 PolarHBondContact O-N 2.98Å; S8-T10 PolarHBondContact OG-N 2.77Å; S8-T10 PolarHBondContact OG-OG1 2.97Å; S8-S11 PolarHBondContact O-N 2.84Å; S8-S11 VanDerWaalsContact O-N 3.13Å; S8-Y12 PolarHBondContact O-N 2.79Å
9L94.8Very high94.3Very high4 Ų447.5 Ų47.52%0.02130%0.297CS..THydrogen-bonded Turntrans-67.3-10.9172.6-69.9-177.4000114.2V4 F7 V14 G33 K51 N53 V58V4-L9 HydrophobicContact CB-CD2 4.4Å; V4-L9 HydrophobicContact CG1-CD2 4.05Å; V4-L9 HydrophobicContact CG2-CD1 4.15Å; V4-L9 HydrophobicContact CG2-CD2 3.49Å; V4-L9 VanDerWaalsContact CG2-CD2 3.49Å; V4-L9 HydrophobicContact CG2-CG 3.62Å; F7-L9 HydrophobicContact CE2-CD2 4.08Å; L9-V14 HydrophobicContact CD2-CG2 3.56Å; L9-G33 WeakPolarHBondContact O-CA 3.27Å; L9-K51 HydrophobicContact CB-CD 4.44Å; L9-K51 HydrophobicContact CD1-CB 4.4Å; L9-K51 PolarHBondContact O-NZ 2.95Å; L9-N53 WeakPolarHBondContact CB-OD1 3.41Å; L9-V58 HydrophobicContact CD1-CG2 3.91Å; L9-V58 HydrophobicContact CD2-CG2 3.64Å; L9-V58 HydrophobicContact CG-CG2 4.47Å
10T94.8Very high94.3Very high78 Ų7845.6 Ų45.648%0.47929%0.285SS..THydrogen-bonded Turntrans-84-22.6172.257.40000112.5S8 G33 N53S8-T10 PolarHBondContact O-N 2.98Å; S8-T10 PolarHBondContact OG-N 2.77Å; S8-T10 PolarHBondContact OG-OG1 2.97Å; T10-G33 CarbonylContact O-C 3.48Å; T10-G33 WeakPolarHBondContact O-CA 3.38Å; T10-N53 WeakPolarHBondContact CG2-ND2 3.38Å
11S92.2Very high94.4Very high83 Ų8348.1 Ų48.158%0.5830%0.303SS*.THydrogen-bonded Turntrans-100.6-26.3-175.8-51.60000113.2S8S8-S11 PolarHBondContact O-N 2.84Å; S8-S11 VanDerWaalsContact O-N 3.13Å
12Y92.4Very high94.4Very high99 Ų9947.6 Ų47.639%0.38832%0.318SS..SBendtrans-127.7150.2-175.5-64.3-87000112F7 S8F7-Y12 HydrophobicContact CB-CD2 3.86Å; F7-Y12 HydrophobicContact CB-CE2 4.21Å; F7-Y12 HydrophobicContact CD2-CD2 4Å; F7-Y12 HydrophobicContact CD2-CG 4.17Å; F7-Y12 HydrophobicContact CG-CD2 4.31Å; S8-Y12 PolarHBondContact O-N 2.79Å
13G94.9Very high94.3Very high5 Ų553.1 Ų53.15%0.05234%0.341CS..  trans-80.315816900000112.4I31 H78G13-I31 CarbonylContact C-O 3.44Å; G13-I31 WeakPolarHBondContact CA-O 3.34Å; G13-H78 WeakPolarHBondContact O-CB 3.37Å; G13-H78 PolarHBondContact O-N 2.81Å
14V96.7Very high94.2Very high1 Ų151 Ų511%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-127.6121.4172.1179.60000108.9V4 F7 L9 V30 I31 V58 C75 A76V4-V14 HydrophobicContact CG1-CG2 4.1Å; F7-V14 HydrophobicContact CE2-CG2 3.97Å; F7-V14 HydrophobicContact CZ-CG2 4.01Å; L9-V14 HydrophobicContact CD2-CG2 3.56Å; V14-V30 WeakPolarHBondContact O-CA 3.49Å; V14-V30 WeakPolarHBondContact O-CG2 3.38Å; V14-I31 HydrophobicContact CB-CG2 4.46Å; V14-I31 PolarHBondContact N-O 2.93Å; V14-I31 PolarHBondContact O-N 2.92Å; V14-V58 HydrophobicContact CB-CG1 4.43Å; V14-V58 HydrophobicContact CB-CG2 3.94Å; V14-V58 HydrophobicContact CG1-CB 4.31Å; V14-V58 HydrophobicContact CG1-CG1 4.33Å; V14-V58 HydrophobicContact CG1-CG2 4.14Å; V14-V58 HydrophobicContact CG2-CG2 3.89Å; V14-C75 HydrophobicContact CG1-CB 4.05Å; V14-A76 CarbonylContact C-O 3.46Å; V14-A76 VanDerWaalsContact CA-O 3.31Å; V14-A76 WeakPolarHBondContact CA-O 3.48Å
15D96.1Very high94.3Very high3 Ų355.1 Ų55.12%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-88.8148.4178.2-64.6-86.8000110.9W27 G29 V30 C75 A76 H78 F83D15-W27 PolarHBondContact OD1-NE1 2.84Å; D15-G29 CarbonylContact C-O 3.5Å; D15-G29 WeakPolarHBondContact CA-O 3.27Å; D15-V30 WeakPolarHBondContact OD1-CB 3.33Å; D15-V30 WeakPolarHBondContact OD1-CG2 3.17Å; D15-C75 CarbonylContact O-C 3.53Å; D15-C75 WeakPolarHBondContact O-CA 3.47Å; D15-A76 PolarHBondContact N-O 2.77Å; D15-A76 PolarHBondContact O-N 3.02Å; D15-H78 IonicContact OD1-ND1 3.51Å; D15-H78 WeakPolarHBondContact OD2-CA 3.36Å; D15-H78 WeakPolarHBondContact OD2-CB 3.3Å; D15-H78 IonicContact OD2-CG 3.42Å; D15-H78 IonicContact OD2-ND1 2.89Å; D15-H78 PolarHBondContact OD2-ND1 3.28Å; D15-F83 HydrophobicContact CB-CD1 3.9Å; D15-F83 HydrophobicContact CB-CE1 3.48Å; D15-F83 VanDerWaalsContact CB-CE1 3.48Å
16W96.4Very high94.4Very high13 Ų1352.1 Ų52.15%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-112.8132.3167.4-76.697.8000109.6C2 L28 G29 V58 L60 Y74 C75C2-W16 HydrophobicContact CB-CH2 3.72Å; C2-W16 HydrophobicContact CB-CZ2 3.73Å; W16-L28 HydrophobicContact CB-CB 4.24Å; W16-L28 HydrophobicContact CB-CD1 4.5Å; W16-L28 WeakPolarHBondContact O-CB 3.17Å; W16-L28 PolarHBondContact O-N 2.99Å; W16-G29 PolarHBondContact N-O 3.47Å; W16-G29 PolarHBondContact O-N 3.1Å; W16-V58 HydrophobicContact CZ2-CG1 4.5Å; W16-L60 HydrophobicContact CB-CD2 4.4Å; W16-L60 HydrophobicContact CD2-CB 3.69Å; W16-L60 HydrophobicContact CD2-CD2 3.95Å; W16-L60 HydrophobicContact CD2-CG 4.3Å; W16-L60 HydrophobicContact CE3-CB 4.05Å; W16-L60 HydrophobicContact CE3-CD2 3.81Å; W16-L60 HydrophobicContact CG-CB 4.17Å; W16-L60 HydrophobicContact CG-CD1 4.25Å; W16-L60 HydrophobicContact CG-CD2 4.21Å; W16-L60 HydrophobicContact CG-CG 4.45Å; W16-L60 HydrophobicContact CH2-CB 4.18Å; W16-L60 HydrophobicContact CZ2-CB 3.83Å; W16-L60 HydrophobicContact CZ3-CB 4.28Å; W16-L60 HydrophobicContact CZ3-CD2 4.42Å; W16-Y74 WeakPolarHBondContact CA-O 3.47Å; W16-Y74 VanDerWaalsContact CE3-O 3.3Å; W16-C75 HydrophobicContact CD2-CB 4.41Å; W16-C75 HydrophobicContact CE3-CB 4.28Å; W16-C75 HydrophobicContact CH2-CB 4.17Å; W16-C75 HydrophobicContact CZ2-CB 4.29Å; W16-C75 HydrophobicContact CZ3-CB 4.16Å
17V95.6Very high94.6Very high2 Ų251.7 Ų51.71%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-136.3142.5-177.8-177.80000107.9L25 E26 Y74 F83 W86V17-L25 HydrophobicContact CG1-CB 3.86Å; V17-L25 HydrophobicContact CG1-CD2 3.86Å; V17-L25 HydrophobicContact CG1-CG 4.36Å; V17-E26 CarbonylContact C-O 3.55Å; V17-E26 WeakPolarHBondContact CA-O 3.45Å; V17-E26 WeakPolarHBondContact CG1-O 3.26Å; V17-Y74 PolarHBondContact N-O 3.11Å; V17-Y74 PolarHBondContact O-N 3.26Å; V17-F83 HydrophobicContact CG2-CE1 4.34Å; V17-F83 HydrophobicContact CG2-CZ 4.12Å; V17-W86 HydrophobicContact CB-CH2 3.99Å; V17-W86 HydrophobicContact CB-CZ3 3.76Å; V17-W86 HydrophobicContact CG1-CH2 3.95Å; V17-W86 HydrophobicContact CG1-CZ3 4Å; V17-W86 HydrophobicContact CG2-CH2 3.76Å; V17-W86 HydrophobicContact CG2-CZ3 3.89Å
18R95.6Very high94.8Very high24 Ų2449.9 Ų49.99%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-118.8157.4170.471.3175.2-173.6-178.28.8112.1E26 L28 D69 A71 M72 Y73R18-E26 HydrophobicContact CG-CB 3.95Å; R18-E26 IonicContact CZ-OE2 3.36Å; R18-E26 PolarHBondContact N-O 3.17Å; R18-E26 IonicContact NE-OE2 2.78Å; R18-E26 PolarHBondContact NE-OE2 3.07Å; R18-E26 IonicContact NH2-OE2 3.03Å; R18-E26 PolarHBondContact NH2-OE2 2.98Å; R18-E26 PolarHBondContact O-N 3.15Å; R18-L28 HydrophobicContact CB-CD1 4.14Å; R18-L28 HydrophobicContact CB-CG 4.47Å; R18-L28 HydrophobicContact CG-CD1 4.28Å; R18-L28 HydrophobicContact CG-CD2 3.92Å; R18-L28 HydrophobicContact CG-CG 4.2Å; R18-D69 IonicContact CZ-OD1 3.94Å; R18-D69 IonicContact NH1-OD1 2.77Å; R18-D69 PolarHBondContact NH1-OD1 2.8Å; R18-A71 HydrophobicContact CB-CB 4.01Å; R18-A71 HydrophobicContact CG-CB 4.45Å; R18-M72 CarbonylContact C-O 3.43Å; R18-M72 WeakPolarHBondContact CA-O 3.43Å; R18-Y73 HydrophobicContact CB-CD1 3.87Å; R18-Y73 HydrophobicContact CB-CE1 3.8Å; R18-Y73 HydrophobicContact CB-CG 4.29Å
19Q96.6Very high94.9Very high76 Ų7647.3 Ų47.336%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-131.499.8172.8-166.2179.118.700109.7K23 L25 A71 M72 Y74Q19-K23 PolarHBondContact NE2-O 3.14Å; Q19-L25 HydrophobicContact CB-CD2 3.97Å; Q19-L25 HydrophobicContact CG-CD2 4.29Å; Q19-A71 WeakPolarHBondContact O-CA 3.36Å; Q19-A71 WeakPolarHBondContact O-CB 3.33Å; Q19-M72 HydrophobicContact CB-CB 4.38Å; Q19-M72 PolarHBondContact N-O 2.93Å; Q19-M72 PolarHBondContact O-N 2.78Å; Q19-Y74 HydrophobicContact CB-CE2 3.98Å
20P95.4Very high95Very high8 Ų847.1 Ų47.15%0.05228%0.277CS..  trans-65.7152.6172-1931.9000111.3G22 K23 A71P20-G22 PolarHBondContact O-N 3.03Å; P20-K23 HydrophobicContact CB-CB 4.08Å; P20-K23 HydrophobicContact CB-CD 3.96Å; P20-K23 HydrophobicContact CB-CG 4.19Å; P20-K23 HydrophobicContact CG-CB 4.29Å; P20-K23 HydrophobicContact CG-CD 4.13Å; P20-K23 PolarHBondContact O-N 2.77Å; P20-A71 HydrophobicContact CB-CB 4.46Å; P20-A71 HydrophobicContact CG-CB 4.33Å
21P95.3Very high95.1Very high100 Ų10043.8 Ų43.865%0.64926%0.257SS*.THydrogen-bonded Turntrans-54.2127.5176.5-25.533.7000112K23 T70P21-K23 PolarHBondContact O-N 2.93Å; P21-T70 WeakPolarHBondContact CD-O 3.44Å
22G95.2Very high95.3Very high95 Ų9543.7 Ų43.798%0.97924%0.243SC*.THydrogen-bonded Turntrans71.96.8179.900000115.5P20P20-G22 PolarHBondContact O-N 3.03Å
23K94.3Very high95.4Very high127 Ų12739.7 Ų39.755%0.55223%0.232SC*.SBendtrans-114.5167177.1-62.1-169-175.5173.90112.4Q19 P20 P21Q19-K23 PolarHBondContact NE2-O 3.14Å; P20-K23 HydrophobicContact CB-CB 4.08Å; P20-K23 HydrophobicContact CB-CD 3.96Å; P20-K23 HydrophobicContact CB-CG 4.19Å; P20-K23 HydrophobicContact CG-CB 4.29Å; P20-K23 HydrophobicContact CG-CD 4.13Å; P20-K23 PolarHBondContact O-N 2.77Å; P21-K23 PolarHBondContact O-N 2.93Å
24G93.9Very high95.4Very high51 Ų5143.4 Ų43.453%0.52627%0.271SS..  trans-74-179.7172.600000113.1
25L94.6Very high95.3Very high100 Ų10045 Ų4552%0.52429%0.288SS..  trans-72.1130.5174.3-67.8171.1000110.7V17 Q19 Y74 W86V17-L25 HydrophobicContact CG1-CB 3.86Å; V17-L25 HydrophobicContact CG1-CD2 3.86Å; V17-L25 HydrophobicContact CG1-CG 4.36Å; Q19-L25 HydrophobicContact CB-CD2 3.97Å; Q19-L25 HydrophobicContact CG-CD2 4.29Å; L25-Y74 HydrophobicContact CD2-CD2 4.49Å; L25-Y74 HydrophobicContact CD2-CE2 4.43Å; L25-W86 HydrophobicContact CD1-CH2 3.97Å; L25-W86 HydrophobicContact CD1-CZ2 4.39Å
26E94.8Very high95.3Very high45 Ų4548.3 Ų48.321%0.2131%0.311CS..EExtended strand (participates in β ladder)trans-114.6114177.4-66.2179.1172.100109.3V17 R18 L43V17-E26 CarbonylContact C-O 3.55Å; V17-E26 WeakPolarHBondContact CA-O 3.45Å; V17-E26 WeakPolarHBondContact CG1-O 3.26Å; R18-E26 HydrophobicContact CG-CB 3.95Å; R18-E26 IonicContact CZ-OE2 3.36Å; R18-E26 PolarHBondContact N-O 3.17Å; R18-E26 IonicContact NE-OE2 2.78Å; R18-E26 PolarHBondContact NE-OE2 3.07Å; R18-E26 IonicContact NH2-OE2 3.03Å; R18-E26 PolarHBondContact NH2-OE2 2.98Å; R18-E26 PolarHBondContact O-N 3.15Å; E26-L43 HydrophobicContact CB-CD1 3.88Å
27W94.2Very high95.3Very high78 Ų7850.2 Ų50.230%0.29532%0.324SS..EExtended strand (participates in β ladder)trans-72.7128.5174.8179.784.7000110.2D15 G29 V30 N38 N40 F83D15-W27 PolarHBondContact OD1-NE1 2.84Å; W27-G29 VanDerWaalsContact CZ2-C 3.41Å; W27-G29 PolarHBondContact NE1-O 3.45Å; W27-V30 HydrophobicContact CZ2-CB 3.91Å; W27-V30 HydrophobicContact CZ2-CG1 3.78Å; W27-N38 HydrophobicContact CH2-CB 4.08Å; W27-N40 HydrophobicContact CE3-CB 3.81Å; W27-N40 HydrophobicContact CZ3-CB 3.97Å; W27-N40 WeakPolarHBondContact O-CB 3.48Å; W27-N40 PolarHBondContact O-ND2 3.39Å; W27-F83 AromaticContact CD1-CZ 3.79Å
28L94.8Very high95.3Very high1 Ų153.9 Ų53.91%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-97-39.8-177.8-63.1179.1000112.2W16 R18 N40 L43 L47 L60 Y73W16-L28 HydrophobicContact CB-CB 4.24Å; W16-L28 HydrophobicContact CB-CD1 4.5Å; W16-L28 WeakPolarHBondContact O-CB 3.17Å; W16-L28 PolarHBondContact O-N 2.99Å; R18-L28 HydrophobicContact CB-CD1 4.14Å; R18-L28 HydrophobicContact CB-CG 4.47Å; R18-L28 HydrophobicContact CG-CD1 4.28Å; R18-L28 HydrophobicContact CG-CD2 3.92Å; R18-L28 HydrophobicContact CG-CG 4.2Å; L28-N40 PolarHBondContact O-N 2.88Å; L28-L43 HydrophobicContact CD2-CB 4.02Å; L28-L43 HydrophobicContact CD2-CD1 3.82Å; L28-L47 HydrophobicContact CB-CD1 4.28Å; L28-L47 HydrophobicContact CD1-CD1 4.49Å; L28-L47 HydrophobicContact CD2-CD1 4.1Å; L28-L60 HydrophobicContact CD1-CD2 3.97Å; L28-Y73 HydrophobicContact CD1-CD1 3.88Å; L28-Y73 HydrophobicContact CD1-CE1 3.74Å
29G95.3Very high95.2Very high0 Ų055.5 Ų55.50%035%0.35CS..EExtended strand (participates in β ladder)trans167.3175.2-175.400000112.7D15 W16 W27 N38D15-G29 CarbonylContact C-O 3.5Å; D15-G29 WeakPolarHBondContact CA-O 3.27Å; W16-G29 PolarHBondContact N-O 3.47Å; W16-G29 PolarHBondContact O-N 3.1Å; W27-G29 VanDerWaalsContact CZ2-C 3.41Å; W27-G29 PolarHBondContact NE1-O 3.45Å; G29-N38 CarbonylContact C-O 3.59Å; G29-N38 WeakPolarHBondContact CA-O 3.46Å
30V95.8Very high95Very high1 Ų154.1 Ų54.11%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-139.6146.4179.4660000109.7V14 D15 W27 W32 T37 N38V14-V30 WeakPolarHBondContact O-CA 3.49Å; V14-V30 WeakPolarHBondContact O-CG2 3.38Å; D15-V30 WeakPolarHBondContact OD1-CB 3.33Å; D15-V30 WeakPolarHBondContact OD1-CG2 3.17Å; W27-V30 HydrophobicContact CZ2-CB 3.91Å; W27-V30 HydrophobicContact CZ2-CG1 3.78Å; V30-W32 HydrophobicContact CG1-CD2 4.18Å; V30-W32 VanDerWaalsContact CG1-CE2 3.49Å; V30-W32 HydrophobicContact CG1-CH2 4.21Å; V30-W32 HydrophobicContact CG1-CZ2 3.51Å; V30-W32 HydrophobicContact CG2-CD2 4.3Å; V30-W32 HydrophobicContact CG2-CE3 4.27Å; V30-W32 HydrophobicContact CG2-CH2 4.4Å; V30-W32 HydrophobicContact CG2-CZ2 4.42Å; V30-W32 HydrophobicContact CG2-CZ3 4.33Å; V30-T37 VanDerWaalsContact O-CA 3.25Å; V30-T37 WeakPolarHBondContact O-CA 3.45Å; V30-N38 HydrophobicContact CG1-CB 3.94Å; V30-N38 PolarHBondContact N-O 2.81Å; V30-N38 PolarHBondContact O-N 2.86Å
31I97.2Very high94.5Very high8 Ų858.9 Ų58.94%0.04138%0.379CS..EExtended strand (participates in β ladder)trans-111.1124161.7-170.9162.1000109.3G13 V14 T37 I49 K51 V58G13-I31 CarbonylContact C-O 3.44Å; G13-I31 WeakPolarHBondContact CA-O 3.34Å; V14-I31 HydrophobicContact CB-CG2 4.46Å; V14-I31 PolarHBondContact N-O 2.93Å; V14-I31 PolarHBondContact O-N 2.92Å; I31-T37 HydrophobicContact CB-CG2 3.93Å; I31-T37 HydrophobicContact CD1-CG2 3.94Å; I31-T37 HydrophobicContact CG1-CG2 3.77Å; I31-I49 HydrophobicContact CB-CG2 3.7Å; I31-I49 HydrophobicContact CD1-CG2 4.49Å; I31-I49 HydrophobicContact CG2-CG2 3.75Å; I31-K51 HydrophobicContact CD1-CB 3.98Å; I31-K51 HydrophobicContact CD1-CD 3.88Å; I31-K51 HydrophobicContact CD1-CG 3.7Å; I31-K51 HydrophobicContact CG1-CD 4.08Å; I31-K51 HydrophobicContact CG1-CG 4.45Å; I31-V58 HydrophobicContact CG2-CG1 3.66Å; I31-V58 HydrophobicContact CG2-CG2 4.42Å
32W96.3Very high93.9Very high80 Ų8058.1 Ų58.130%0.30338%0.381SS..  trans-80.4165.7-176.1-61.6108.8000112.3V30 G34 G35 S36 N38 K51 H78V30-W32 HydrophobicContact CG1-CD2 4.18Å; V30-W32 VanDerWaalsContact CG1-CE2 3.49Å; V30-W32 HydrophobicContact CG1-CH2 4.21Å; V30-W32 HydrophobicContact CG1-CZ2 3.51Å; V30-W32 HydrophobicContact CG2-CD2 4.3Å; V30-W32 HydrophobicContact CG2-CE3 4.27Å; V30-W32 HydrophobicContact CG2-CH2 4.4Å; V30-W32 HydrophobicContact CG2-CZ2 4.42Å; V30-W32 HydrophobicContact CG2-CZ3 4.33Å; W32-G34 PolarHBondContact O-N 2.69Å; W32-G35 WeakPolarHBondContact O-CA 3.32Å; W32-G35 PolarHBondContact O-N 2.84Å; W32-S36 VanDerWaalsContact CD1-OG 3.25Å; W32-S36 PolarHBondContact N-O 3.45Å; W32-N38 PolarHBondContact NE1-OD1 3.11Å; W32-K51 PolarHBondContact O-NZ 2.76Å; W32-H78 AromaticContact CH2-CD2 3.93Å; W32-H78 AromaticContact CH2-CE1 3.54Å; W32-H78 AromaticContact CH2-ND1 3.89Å; W32-H78 AromaticContact CH2-NE2 3.56Å; W32-H78 HydrophobicContact CZ3-CB 4.38Å; W32-H78 AromaticContact CZ3-CD2 3.44Å; W32-H78 VanDerWaalsContact CZ3-CD2 3.44Å; W32-H78 WeakPolarHBondContact CZ3-CD2 3.46Å; W32-H78 AromaticContact CZ3-CE1 3.85Å; W32-H78 AromaticContact CZ3-CG 3.63Å; W32-H78 AromaticContact CZ3-ND1 3.89Å; W32-H78 AromaticContact CZ3-NE2 3.58Å
33G94.8Very high93.3Very high15 Ų1555.5 Ų55.516%0.15534%0.344CS..THydrogen-bonded Turntrans-53.7-40174.500000113L9 T10 G35 K51L9-G33 WeakPolarHBondContact O-CA 3.27Å; T10-G33 CarbonylContact O-C 3.48Å; T10-G33 WeakPolarHBondContact O-CA 3.38Å; G33-G35 VanDerWaalsContact C-N 3.26Å; G33-G35 PolarHBondContact O-N 3.46Å; G33-K51 VanDerWaalsContact C-NZ 3.33Å; G33-K51 PolarHBondContact O-NZ 3.11Å
34G94.4Very high92.2Very high83 Ų8354.1 Ų54.186%0.85634%0.341SS*.THydrogen-bonded Turntrans-73.1-8.4174.500000115.5W32W32-G34 PolarHBondContact O-N 2.69Å
35G95.1Very high91.4Very high36 Ų3657.4 Ų57.437%0.37136%0.356SS..SBendtrans93.3-6.5177.300000115.5W32 G33W32-G35 WeakPolarHBondContact O-CA 3.32Å; W32-G35 PolarHBondContact O-N 2.84Å; G33-G35 VanDerWaalsContact C-N 3.26Å; G33-G35 PolarHBondContact O-N 3.46Å
36S95.9Very high90.9Very high72 Ų7254.1 Ų54.150%0.50335%0.346SS..  trans-63.5153.1168.651.20000111W32W32-S36 VanDerWaalsContact CD1-OG 3.25Å; W32-S36 PolarHBondContact N-O 3.45Å
37T96.4Very high90.7Very high52 Ų5253.3 Ų53.332%0.31934%0.343SS..EExtended strand (participates in β ladder)trans-124.2143.7-179.950.60000110.9V30 I31 Y39 I49V30-T37 VanDerWaalsContact O-CA 3.25Å; V30-T37 WeakPolarHBondContact O-CA 3.45Å; I31-T37 HydrophobicContact CB-CG2 3.93Å; I31-T37 HydrophobicContact CD1-CG2 3.94Å; I31-T37 HydrophobicContact CG1-CG2 3.77Å; T37-Y39 VanDerWaalsContact OG1-CE2 3.32Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.48Å; T37-I49 HydrophobicContact CG2-CB 4.37Å
38N94.8Very high90.7Very high80 Ų8052 Ų5243%0.42835%0.346SS..EExtended strand (participates in β ladder)trans-123.1145.4166.9-62.344.4000108.2W27 G29 V30 W32W27-N38 HydrophobicContact CH2-CB 4.08Å; G29-N38 CarbonylContact C-O 3.59Å; G29-N38 WeakPolarHBondContact CA-O 3.46Å; V30-N38 HydrophobicContact CG1-CB 3.94Å; V30-N38 PolarHBondContact N-O 2.81Å; V30-N38 PolarHBondContact O-N 2.86Å; W32-N38 PolarHBondContact NE1-OD1 3.11Å
39Y94.3Very high90.8Very high57 Ų5752.4 Ų52.422%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-126.2153.1-178.7-61.8-86.9000110T37 S41 M44 I49T37-Y39 VanDerWaalsContact OG1-CE2 3.32Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.48Å; Y39-S41 PolarHBondContact O-N 2.83Å; Y39-M44 HydrophobicContact CD2-CE 4.44Å; Y39-M44 HydrophobicContact CG-CG 4.42Å; Y39-I49 HydrophobicContact CD1-CD1 4.16Å; Y39-I49 HydrophobicContact CE1-CB 4.28Å; Y39-I49 HydrophobicContact CE1-CD1 3.77Å; Y39-I49 HydrophobicContact CE1-CG1 3.83Å; Y39-I49 PolarHBondContact OH-N 3.49Å; Y39-I49 VanDerWaalsContact OH-N 3.08Å
40N91.4Very high90.9Very high47 Ų4755.1 Ų55.125%0.25137%0.367SS..  trans-76.4110.2163.6-172.4-21.7000108.9W27 L28 A42 L43 M44W27-N40 HydrophobicContact CE3-CB 3.81Å; W27-N40 HydrophobicContact CZ3-CB 3.97Å; W27-N40 WeakPolarHBondContact O-CB 3.48Å; W27-N40 PolarHBondContact O-ND2 3.39Å; L28-N40 PolarHBondContact O-N 2.88Å; N40-A42 PolarHBondContact O-N 3.41Å; N40-A42 WeakPolarHBondContact OD1-CB 3.1Å; N40-A42 PolarHBondContact OD1-N 3.42Å; N40-A42 VanDerWaalsContact OD1-N 3.15Å; N40-L43 HydrophobicContact CB-CB 4.38Å; N40-L43 CarbonylContact O-C 3.4Å; N40-L43 PolarHBondContact O-N 3.37Å; N40-M44 WeakPolarHBondContact O-CB 3.01Å; N40-M44 PolarHBondContact O-N 3.37Å
41S85.5Confident90.9Very high108 Ų10857.2 Ų57.276%0.75538%0.376SS*.G310 helixtrans-58.8-29.7-176.753.20000113.3Y39 L43Y39-S41 PolarHBondContact O-N 2.83Å; S41-L43 VanDerWaalsContact C-N 3.25Å; S41-L43 PolarHBondContact O-N 2.99Å
42A83.8Confident90.9Very high84 Ų8458.9 Ų58.969%0.69439%0.385SS*.G310 helixtrans-70.5-21.8177.700000113.2N40N40-A42 PolarHBondContact O-N 3.41Å; N40-A42 WeakPolarHBondContact OD1-CB 3.1Å; N40-A42 PolarHBondContact OD1-N 3.42Å; N40-A42 VanDerWaalsContact OD1-N 3.15Å
43L81.1Confident90.9Very high41 Ų4158.5 Ų58.522%0.21539%0.389CS..G310 helixtrans-120.49-173.7-58.6179.1000112.6E26 L28 N40 S41 S45 L47E26-L43 HydrophobicContact CB-CD1 3.88Å; L28-L43 HydrophobicContact CD2-CB 4.02Å; L28-L43 HydrophobicContact CD2-CD1 3.82Å; N40-L43 HydrophobicContact CB-CB 4.38Å; N40-L43 CarbonylContact O-C 3.4Å; N40-L43 PolarHBondContact O-N 3.37Å; S41-L43 VanDerWaalsContact C-N 3.25Å; S41-L43 PolarHBondContact O-N 2.99Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-L47 WeakPolarHBondContact O-CD1 3.13Å
44M71.2Confident90.9Very high97 Ų9762.8 Ų62.848%0.47842%0.417SS..  trans-74.7-17.6-166.6-176.5178.6171.500114.7Y39 N40 G46 L47Y39-M44 HydrophobicContact CD2-CE 4.44Å; Y39-M44 HydrophobicContact CG-CG 4.42Å; N40-M44 WeakPolarHBondContact O-CB 3.01Å; N40-M44 PolarHBondContact O-N 3.37Å; M44-G46 PolarHBondContact O-N 2.85Å; M44-L47 PolarHBondContact O-N 2.86Å; M44-L47 VanDerWaalsContact O-N 3.1Å
45S78.3Confident91Very high120 Ų12064.8 Ų64.884%0.83940%0.402SS*.THydrogen-bonded Turntrans-57.4112.9-169.5-170.10000111.7L43 L47L43-S45 PolarHBondContact O-N 3.01Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.11Å
46G84.1Confident91Very high31 Ų3165.2 Ų65.232%0.3240%0.399SS..THydrogen-bonded Turntrans78.94.2176.200000116.4M44 N63M44-G46 PolarHBondContact O-N 2.85Å; G46-N63 PolarHBondContact O-N 2.79Å; G46-N63 PolarHBondContact O-ND2 2.82Å
47L91Very high91.1Very high28 Ų2864.1 Ų64.115%0.14739%0.386CS..EExtended strand (participates in β ladder)trans-88142.3178.5-60.9-177.7000112.6L28 L43 M44 S45 L60 K61 M62L28-L47 HydrophobicContact CB-CD1 4.28Å; L28-L47 HydrophobicContact CD1-CD1 4.49Å; L28-L47 HydrophobicContact CD2-CD1 4.1Å; L43-L47 WeakPolarHBondContact O-CD1 3.13Å; M44-L47 PolarHBondContact O-N 2.86Å; M44-L47 VanDerWaalsContact O-N 3.1Å; S45-L47 VanDerWaalsContact C-N 3.34Å; S45-L47 PolarHBondContact O-N 3.11Å; L47-L60 HydrophobicContact CD2-CD1 4.37Å; L47-K61 CarbonylContact C-O 3.58Å; L47-K61 WeakPolarHBondContact CA-O 3.49Å; L47-M62 HydrophobicContact CD2-CB 3.87Å; L47-M62 HydrophobicContact CD2-CG 3.44Å; L47-M62 VanDerWaalsContact CD2-CG 3.44Å; L47-M62 HydrophobicContact CD2-SD 3.94Å
48S93.9Very high91.1Very high52 Ų5261.6 Ų61.636%0.36437%0.371SS..EExtended strand (participates in β ladder)trans-143.7128.2171.2176.30000110.2K61S48-K61 PolarHBondContact N-O 2.93Å; S48-K61 PolarHBondContact O-N 2.92Å
49I96.3Very high91.3Very high9 Ų960.6 Ų60.65%0.04636%0.363CS..EExtended strand (participates in β ladder)trans-106.7132.7176.8-58.3163.9000109I31 T37 Y39 V58 F59 L60I31-I49 HydrophobicContact CB-CG2 3.7Å; I31-I49 HydrophobicContact CD1-CG2 4.49Å; I31-I49 HydrophobicContact CG2-CG2 3.75Å; T37-I49 HydrophobicContact CG2-CB 4.37Å; Y39-I49 HydrophobicContact CD1-CD1 4.16Å; Y39-I49 HydrophobicContact CE1-CB 4.28Å; Y39-I49 HydrophobicContact CE1-CD1 3.77Å; Y39-I49 HydrophobicContact CE1-CG1 3.83Å; Y39-I49 PolarHBondContact OH-N 3.49Å; Y39-I49 VanDerWaalsContact OH-N 3.08Å; I49-V58 HydrophobicContact CG2-CG1 4.05Å; I49-F59 WeakPolarHBondContact CA-O 3.42Å; I49-L60 HydrophobicContact CD1-CD1 4.47Å; I49-L60 HydrophobicContact CG1-CD1 3.71Å
50S96.9Very high91.3Very high57 Ų5759 Ų5940%0.39936%0.358SS..EExtended strand (participates in β ladder)trans-141.1168.3175.167.80000111.1V58 F59S50-V58 CarbonylContact O-C 3.54Å; S50-V58 WeakPolarHBondContact O-CA 3.47Å; S50-V58 WeakPolarHBondContact O-CG1 3.42Å; S50-F59 PolarHBondContact N-O 2.77Å; S50-F59 PolarHBondContact O-N 2.8Å
51K97.1Very high91.5Very high45 Ų4562.9 Ų62.920%0.19637%0.373CS..EExtended strand (participates in β ladder)trans-141.8151.9177.969.9-177-174.2-179.90112.6L9 I31 W32 G33 N53 Q57 V58L9-K51 HydrophobicContact CB-CD 4.44Å; L9-K51 HydrophobicContact CD1-CB 4.4Å; L9-K51 PolarHBondContact O-NZ 2.95Å; I31-K51 HydrophobicContact CD1-CB 3.98Å; I31-K51 HydrophobicContact CD1-CD 3.88Å; I31-K51 HydrophobicContact CD1-CG 3.7Å; I31-K51 HydrophobicContact CG1-CD 4.08Å; I31-K51 HydrophobicContact CG1-CG 4.45Å; W32-K51 PolarHBondContact O-NZ 2.76Å; G33-K51 VanDerWaalsContact C-NZ 3.33Å; G33-K51 PolarHBondContact O-NZ 3.11Å; K51-N53 WeakPolarHBondContact CD-OD1 3.31Å; K51-N53 WeakPolarHBondContact CE-OD1 2.99Å; K51-Q57 CarbonylContact C-O 3.57Å; K51-Q57 VanDerWaalsContact CA-O 3.3Å; K51-Q57 WeakPolarHBondContact CA-O 3.44Å; K51-V58 HydrophobicContact CB-CG2 4.1Å
52D96.8Very high91.8Very high42 Ų4259.9 Ų59.923%0.22535%0.347CS..EExtended strand (participates in β ladder)trans-121.7102.7169.8-176.1-16.2000108.3S54 K55 S56 Q57 F59D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.03Å; D52-S54 WeakPolarHBondContact OD1-CB 3.13Å; D52-S54 PolarHBondContact OD1-N 2.86Å; D52-S54 PolarHBondContact OD1-OG 2.89Å; D52-K55 HydrophobicContact CB-CB 4.39Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 PolarHBondContact OD1-N 2.9Å; D52-K55 WeakPolarHBondContact OD2-CD 3.42Å; D52-K55 VanDerWaalsContact OD2-CE 3.3Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 WeakPolarHBondContact OD2-CG 3.2Å; D52-K55 IonicContact OD2-NZ 3.4Å; D52-K55 PolarHBondContact OD2-NZ 2.87Å; D52-S56 PolarHBondContact O-N 3.08Å; D52-S56 VanDerWaalsContact O-N 3.08Å; D52-Q57 PolarHBondContact N-O 2.95Å; D52-Q57 PolarHBondContact O-N 2.93Å; D52-F59 HydrophobicContact CB-CE2 3.87Å
53N95.5Very high92.1Very high72 Ų7259.5 Ų59.539%0.38533%0.333SS..THydrogen-bonded Turntrans-64.6-32.8-179-64.4-19.7000111.7L9 T10 K51 K55 S56L9-N53 WeakPolarHBondContact CB-OD1 3.41Å; T10-N53 WeakPolarHBondContact CG2-ND2 3.38Å; K51-N53 WeakPolarHBondContact CD-OD1 3.31Å; K51-N53 WeakPolarHBondContact CE-OD1 2.99Å; N53-K55 PolarHBondContact O-N 3Å; N53-S56 PolarHBondContact O-N 2.82Å
54S94.9Very high92.4Very high105 Ų10563 Ų6373%0.73436%0.361SS*.THydrogen-bonded Turntrans-66.6-29.1-178.473.90000112.2D52D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.03Å; D52-S54 WeakPolarHBondContact OD1-CB 3.13Å; D52-S54 PolarHBondContact OD1-N 2.86Å; D52-S54 PolarHBondContact OD1-OG 2.89Å
55K96.1Very high93.2Very high125 Ų12561.5 Ų61.554%0.54336%0.355SS..THydrogen-bonded Turntrans-100.7-2.1178.1-62.3-179.7-169156.40113.5D52 N53 Q57D52-K55 HydrophobicContact CB-CB 4.39Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 PolarHBondContact OD1-N 2.9Å; D52-K55 WeakPolarHBondContact OD2-CD 3.42Å; D52-K55 VanDerWaalsContact OD2-CE 3.3Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 WeakPolarHBondContact OD2-CG 3.2Å; D52-K55 IonicContact OD2-NZ 3.4Å; D52-K55 PolarHBondContact OD2-NZ 2.87Å; N53-K55 PolarHBondContact O-N 3Å; K55-Q57 HydrophobicContact CB-CB 4.24Å; K55-Q57 HydrophobicContact CB-CG 4.13Å; K55-Q57 PolarHBondContact O-N 3.1Å
56S95.9Very high93.8Very high46 Ų4662 Ų6232%0.32234%0.344SS..THydrogen-bonded Turntrans51.644.3-170.8-59.40000112V4 D52 N53V4-S56 WeakPolarHBondContact CG2-O 3.42Å; V4-S56 PolarHBondContact N-O 3.03Å; D52-S56 PolarHBondContact O-N 3.08Å; D52-S56 VanDerWaalsContact O-N 3.08Å; N53-S56 PolarHBondContact O-N 2.82Å
57Q97.5Very high94.1Very high48 Ų4863.9 Ų63.922%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-122.2143.5-176.4-78177-1500112.8T1 C2 T3 K51 D52 K55 F59T1-Q57 HydrophobicContact CG2-CB 4.34Å; T1-Q57 HydrophobicContact CG2-CG 4.22Å; C2-Q57 CarbonylContact O-C 3.53Å; C2-Q57 WeakPolarHBondContact O-CA 3.42Å; T3-Q57 HydrophobicContact CG2-CG 4.32Å; T3-Q57 PolarHBondContact OG1-NE2 3.27Å; K51-Q57 CarbonylContact C-O 3.57Å; K51-Q57 VanDerWaalsContact CA-O 3.3Å; K51-Q57 WeakPolarHBondContact CA-O 3.44Å; D52-Q57 PolarHBondContact N-O 2.95Å; D52-Q57 PolarHBondContact O-N 2.93Å; K55-Q57 HydrophobicContact CB-CB 4.24Å; K55-Q57 HydrophobicContact CB-CG 4.13Å; K55-Q57 PolarHBondContact O-N 3.1Å; Q57-F59 HydrophobicContact CB-CE1 4.4Å; Q57-F59 HydrophobicContact CB-CE2 3.85Å; Q57-F59 HydrophobicContact CB-CZ 3.64Å
58V97.4Very high94Very high0 Ų068.3 Ų68.30%037%0.373CS..EExtended strand (participates in β ladder)trans-121.1138.7171.8-175.30000108.9T1 C2 L9 V14 W16 I31 I49 S50 K51T1-V58 CarbonylContact C-O 3.38Å; T1-V58 WeakPolarHBondContact CA-O 3.48Å; C2-V58 PolarHBondContact N-O 3.48Å; C2-V58 PolarHBondContact O-N 2.02Å; L9-V58 HydrophobicContact CD1-CG2 3.91Å; L9-V58 HydrophobicContact CD2-CG2 3.64Å; L9-V58 HydrophobicContact CG-CG2 4.47Å; V14-V58 HydrophobicContact CB-CG1 4.43Å; V14-V58 HydrophobicContact CB-CG2 3.94Å; V14-V58 HydrophobicContact CG1-CB 4.31Å; V14-V58 HydrophobicContact CG1-CG1 4.33Å; V14-V58 HydrophobicContact CG1-CG2 4.14Å; V14-V58 HydrophobicContact CG2-CG2 3.89Å; W16-V58 HydrophobicContact CZ2-CG1 4.5Å; I31-V58 HydrophobicContact CG2-CG1 3.66Å; I31-V58 HydrophobicContact CG2-CG2 4.42Å; I49-V58 HydrophobicContact CG2-CG1 4.05Å; S50-V58 CarbonylContact O-C 3.54Å; S50-V58 WeakPolarHBondContact O-CA 3.47Å; S50-V58 WeakPolarHBondContact O-CG1 3.42Å; K51-V58 HydrophobicContact CB-CG2 4.1Å
59F97.3Very high93.9Very high58 Ų5867.6 Ų67.625%0.25437%0.365SS..EExtended strand (participates in β ladder)trans-119.2135-175.3-53.4-88.2000109.5T1 I49 S50 D52 Q57T1-F59 HydrophobicContact CG2-CD1 3.7Å; T1-F59 HydrophobicContact CG2-CE1 3.45Å; T1-F59 VanDerWaalsContact CG2-CE1 3.45Å; T1-F59 HydrophobicContact CG2-CZ 4.24Å; T1-F59 WeakPolarHBondContact OG1-CD1 3.2Å; I49-F59 WeakPolarHBondContact CA-O 3.42Å; S50-F59 PolarHBondContact N-O 2.77Å; S50-F59 PolarHBondContact O-N 2.8Å; D52-F59 HydrophobicContact CB-CE2 3.87Å; Q57-F59 HydrophobicContact CB-CE1 4.4Å; Q57-F59 HydrophobicContact CB-CE2 3.85Å; Q57-F59 HydrophobicContact CB-CZ 3.64Å
60L95.9Very high93.8Very high25 Ų2568.6 Ų68.613%0.13137%0.372CS..EExtended strand (participates in β ladder)trans-109.9110.4165179.868.1000106.4W16 L28 L47 I49 M62 Y73W16-L60 HydrophobicContact CB-CD2 4.4Å; W16-L60 HydrophobicContact CD2-CB 3.69Å; W16-L60 HydrophobicContact CD2-CD2 3.95Å; W16-L60 HydrophobicContact CD2-CG 4.3Å; W16-L60 HydrophobicContact CE3-CB 4.05Å; W16-L60 HydrophobicContact CE3-CD2 3.81Å; W16-L60 HydrophobicContact CG-CB 4.17Å; W16-L60 HydrophobicContact CG-CD1 4.25Å; W16-L60 HydrophobicContact CG-CD2 4.21Å; W16-L60 HydrophobicContact CG-CG 4.45Å; W16-L60 HydrophobicContact CH2-CB 4.18Å; W16-L60 HydrophobicContact CZ2-CB 3.83Å; W16-L60 HydrophobicContact CZ3-CB 4.28Å; W16-L60 HydrophobicContact CZ3-CD2 4.42Å; L28-L60 HydrophobicContact CD1-CD2 3.97Å; L47-L60 HydrophobicContact CD2-CD1 4.37Å; I49-L60 HydrophobicContact CD1-CD1 4.47Å; I49-L60 HydrophobicContact CG1-CD1 3.71Å; L60-M62 HydrophobicContact CD2-CG 4.16Å; L60-M62 HydrophobicContact CD2-SD 3.8Å; L60-M62 HydrophobicContact CG-CG 3.89Å; L60-M62 HydrophobicContact CG-SD 4.21Å; L60-Y73 HydrophobicContact CD2-CD1 3.87Å; L60-Y73 HydrophobicContact CD2-CE1 4.3Å
61K94.8Very high93.8Very high128 Ų12865.9 Ų65.956%0.55735%0.353SS*.EExtended strand (participates in β ladder)trans-95.3128.4171.5-175.9176.3-178.6-178.60107.9L47 S48 N63L47-K61 CarbonylContact C-O 3.58Å; L47-K61 WeakPolarHBondContact CA-O 3.49Å; S48-K61 PolarHBondContact N-O 2.93Å; S48-K61 PolarHBondContact O-N 2.92Å; K61-N63 WeakPolarHBondContact CE-OD1 3.25Å
62M91.8Very high93.8Very high44 Ų4466.2 Ų66.222%0.21736%0.356CS..EExtended strand (participates in β ladder)trans-123.1129.4179.4-47.5-171.6-80.500107.4L47 L60 L65 Y73 V92L47-M62 HydrophobicContact CD2-CB 3.87Å; L47-M62 HydrophobicContact CD2-CG 3.44Å; L47-M62 VanDerWaalsContact CD2-CG 3.44Å; L47-M62 HydrophobicContact CD2-SD 3.94Å; L60-M62 HydrophobicContact CD2-CG 4.16Å; L60-M62 HydrophobicContact CD2-SD 3.8Å; L60-M62 HydrophobicContact CG-CG 3.89Å; L60-M62 HydrophobicContact CG-SD 4.21Å; M62-L65 HydrophobicContact CB-CD1 4.49Å; M62-L65 HydrophobicContact CB-CD2 3.77Å; M62-L65 HydrophobicContact CB-CG 4.16Å; M62-L65 HydrophobicContact CE-CD2 4.28Å; M62-L65 HydrophobicContact SD-CD2 4.13Å; M62-Y73 HydrophobicContact CE-CD1 4.38Å; M62-Y73 HydrophobicContact CE-CE1 4.06Å; M62-Y73 HydrophobicContact CE-CE2 4.48Å; M62-Y73 HydrophobicContact SD-CD1 4.1Å; M62-Y73 HydrophobicContact SD-CE1 3.46Å; M62-Y73 WeakPolarHBondContact SD-CE1 3.37Å; M62-V92 HydrophobicContact CE-CG2 4.4Å
63N90.1Very high93.8Very high76 Ų7664.7 Ų64.741%0.40635%0.347SS..  trans-117.4149.7178.6-51-75.3000109.2G46 K61 L65G46-N63 PolarHBondContact O-N 2.79Å; G46-N63 PolarHBondContact O-ND2 2.82Å; K61-N63 WeakPolarHBondContact CE-OD1 3.25Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.99Å
64S87.6Confident93.8Very high115 Ų11563.1 Ų63.180%0.80434%0.336SS*.SBendtrans56.943.7177-50.10000113.7
65L88.6Confident93.9Very high65 Ų6558.9 Ų58.934%0.3431%0.306SS..  trans-56.6138.2178.5-73.6170.3000111.6M62 N63 D69 V94M62-L65 HydrophobicContact CB-CD1 4.49Å; M62-L65 HydrophobicContact CB-CD2 3.77Å; M62-L65 HydrophobicContact CB-CG 4.16Å; M62-L65 HydrophobicContact CE-CD2 4.28Å; M62-L65 HydrophobicContact SD-CD2 4.13Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.99Å; L65-D69 WeakPolarHBondContact CA-OD2 2.98Å; L65-D69 HydrophobicContact CD2-CB 3.68Å; L65-V94 HydrophobicContact CB-CG1 4.32Å; L65-V94 HydrophobicContact CB-CG2 3.96Å; L65-V94 HydrophobicContact CD1-CG2 4.25Å
66Q90.3Very high93.9Very high131 Ų13153 Ų5361%0.61228%0.281SS*.  trans-111.2167175.1-61.6-172.6-20.800110.8D68 D69 V94Q66-D68 PolarHBondContact O-N 2.87Å; Q66-D68 VanDerWaalsContact O-N 3.14Å; Q66-D69 PolarHBondContact N-OD2 2.8Å; Q66-D69 WeakPolarHBondContact O-CB 3.43Å; Q66-D69 PolarHBondContact O-N 3.26Å; Q66-V94 WeakPolarHBondContact O-CB 3.32Å; Q66-V94 WeakPolarHBondContact O-CG1 3.47Å
67T90.9Very high93.8Very high70 Ų7051.8 Ų51.843%0.42927%0.27SS..G310 helixtrans-53.9-35.2177.549.50000112.4D69 T70 A96T67-D69 PolarHBondContact O-N 3.32Å; T67-T70 VanDerWaalsContact O-CB 3.27Å; T67-T70 WeakPolarHBondContact O-CB 3.33Å; T67-T70 PolarHBondContact O-N 3.39Å; T67-T70 VanDerWaalsContact O-N 3.11Å; T67-T70 PolarHBondContact O-OG1 2.88Å; T67-A96 HydrophobicContact CG2-CB 4.19Å
68D89.1Confident93.5Very high122 Ų12251.4 Ų51.465%0.65227%0.268SS*.G310 helixtrans-69.4-13.6179.6-70.57.2000113.4Q66Q66-D68 PolarHBondContact O-N 2.87Å; Q66-D68 VanDerWaalsContact O-N 3.14Å
69D90.9Very high92.9Very high37 Ų3757.9 Ų57.920%0.19829%0.292CS..G310 helixtrans-83.5-1.2173.7-62.2-46.6000112.8R18 L65 Q66 T67 A71 Y73R18-D69 IonicContact CZ-OD1 3.94Å; R18-D69 IonicContact NH1-OD1 2.77Å; R18-D69 PolarHBondContact NH1-OD1 2.8Å; L65-D69 WeakPolarHBondContact CA-OD2 2.98Å; L65-D69 HydrophobicContact CD2-CB 3.68Å; Q66-D69 PolarHBondContact N-OD2 2.8Å; Q66-D69 WeakPolarHBondContact O-CB 3.43Å; Q66-D69 PolarHBondContact O-N 3.26Å; T67-D69 PolarHBondContact O-N 3.32Å; D69-A71 PolarHBondContact O-N 3.25Å; D69-A71 VanDerWaalsContact O-N 3.11Å; D69-Y73 WeakPolarHBondContact O-CE2 3.45Å; D69-Y73 PolarHBondContact O-OH 2.86Å
70T94.4Very high91.7Very high29 Ų2961.3 Ų61.318%0.17831%0.313CS..  trans-62.2112.2171.7-64.90000109.9P21 T67 V92 T93 V94P21-T70 WeakPolarHBondContact CD-O 3.44Å; T67-T70 VanDerWaalsContact O-CB 3.27Å; T67-T70 WeakPolarHBondContact O-CB 3.33Å; T67-T70 PolarHBondContact O-N 3.39Å; T67-T70 VanDerWaalsContact O-N 3.11Å; T67-T70 PolarHBondContact O-OG1 2.88Å; T70-V92 WeakPolarHBondContact CA-O 3.43Å; T70-T93 HydrophobicContact CG2-CG2 4.31Å; T70-V94 PolarHBondContact OG1-N 3.28Å; T70-V94 PolarHBondContact OG1-O 3.13Å
71A96Very high90.4Very high0 Ų071 Ų710%035%0.35CS..EExtended strand (participates in β ladder)trans-163.4164.4-174.900000111.5R18 Q19 P20 D69 Y73 V92R18-A71 HydrophobicContact CB-CB 4.01Å; R18-A71 HydrophobicContact CG-CB 4.45Å; Q19-A71 WeakPolarHBondContact O-CA 3.36Å; Q19-A71 WeakPolarHBondContact O-CB 3.33Å; P20-A71 HydrophobicContact CB-CB 4.46Å; P20-A71 HydrophobicContact CG-CB 4.33Å; D69-A71 PolarHBondContact O-N 3.25Å; D69-A71 VanDerWaalsContact O-N 3.11Å; A71-Y73 HydrophobicContact CB-CD2 4.28Å; A71-Y73 HydrophobicContact CB-CE2 3.73Å; A71-Y73 VanDerWaalsContact O-CD2 3.27Å; A71-Y73 WeakPolarHBondContact O-CD2 3.1Å; A71-Y73 WeakPolarHBondContact O-CE2 3.33Å; A71-V92 PolarHBondContact N-O 3.2Å; A71-V92 VanDerWaalsContact N-O 3.11Å; A71-V92 PolarHBondContact O-N 3.4Å
72M97.5Very high89.5Confident53 Ų5367.6 Ų67.626%0.26135%0.345SS..EExtended strand (participates in β ladder)trans-78.1128.4159.7-71-64.5-60.700109.3R18 Q19 Y74 L91R18-M72 CarbonylContact C-O 3.43Å; R18-M72 WeakPolarHBondContact CA-O 3.43Å; Q19-M72 HydrophobicContact CB-CB 4.38Å; Q19-M72 PolarHBondContact N-O 2.93Å; Q19-M72 PolarHBondContact O-N 2.78Å; M72-Y74 HydrophobicContact CB-CD2 4.43Å; M72-Y74 HydrophobicContact CB-CE2 3.45Å; M72-Y74 VanDerWaalsContact CB-CE2 3.45Å; M72-Y74 VanDerWaalsContact CB-OH 3.26Å; M72-Y74 WeakPolarHBondContact CB-OH 3.33Å; M72-Y74 HydrophobicContact CE-CE1 4.36Å; M72-L91 HydrophobicContact CG-CD1 4.42Å; M72-L91 VanDerWaalsContact SD-CA 3.51Å; M72-L91 HydrophobicContact SD-CB 3.53Å; M72-L91 VanDerWaalsContact SD-CB 3.53Å; M72-L91 HydrophobicContact SD-CD1 3.91Å; M72-L91 HydrophobicContact SD-CG 4.29Å
73Y96.7Very high88.8Confident10 Ų1069.1 Ų69.14%0.03935%0.351CS..EExtended strand (participates in β ladder)trans-109.1130.1177.9-71.8-101.2000110.3R18 L28 L60 M62 D69 A71 G89 T90 V92R18-Y73 HydrophobicContact CB-CD1 3.87Å; R18-Y73 HydrophobicContact CB-CE1 3.8Å; R18-Y73 HydrophobicContact CB-CG 4.29Å; L28-Y73 HydrophobicContact CD1-CD1 3.88Å; L28-Y73 HydrophobicContact CD1-CE1 3.74Å; L60-Y73 HydrophobicContact CD2-CD1 3.87Å; L60-Y73 HydrophobicContact CD2-CE1 4.3Å; M62-Y73 HydrophobicContact CE-CD1 4.38Å; M62-Y73 HydrophobicContact CE-CE1 4.06Å; M62-Y73 HydrophobicContact CE-CE2 4.48Å; M62-Y73 HydrophobicContact SD-CD1 4.1Å; M62-Y73 HydrophobicContact SD-CE1 3.46Å; M62-Y73 WeakPolarHBondContact SD-CE1 3.37Å; D69-Y73 WeakPolarHBondContact O-CE2 3.45Å; D69-Y73 PolarHBondContact O-OH 2.86Å; A71-Y73 HydrophobicContact CB-CD2 4.28Å; A71-Y73 HydrophobicContact CB-CE2 3.73Å; A71-Y73 VanDerWaalsContact O-CD2 3.27Å; A71-Y73 WeakPolarHBondContact O-CD2 3.1Å; A71-Y73 WeakPolarHBondContact O-CE2 3.33Å; Y73-G89 CarbonylContact O-C 3.54Å; Y73-G89 WeakPolarHBondContact O-CA 3.4Å; Y73-T90 PolarHBondContact N-O 2.84Å; Y73-T90 PolarHBondContact O-N 3.4Å; Y73-V92 HydrophobicContact CD2-CB 3.82Å; Y73-V92 HydrophobicContact CD2-CG2 3.63Å; Y73-V92 HydrophobicContact CE2-CB 3.73Å; Y73-V92 HydrophobicContact CE2-CG1 4.49Å; Y73-V92 HydrophobicContact CE2-CG2 4Å; Y73-V92 HydrophobicContact CG-CG2 4.42Å
74Y96.9Very high88.3Confident39 Ų3967.2 Ų67.215%0.15335%0.345CS..EExtended strand (participates in β ladder)trans-123.2145.9-177.2-53.9-89.5000110.2W16 V17 Q19 L25 M72 W86W16-Y74 WeakPolarHBondContact CA-O 3.47Å; W16-Y74 VanDerWaalsContact CE3-O 3.3Å; V17-Y74 PolarHBondContact N-O 3.11Å; V17-Y74 PolarHBondContact O-N 3.26Å; Q19-Y74 HydrophobicContact CB-CE2 3.98Å; L25-Y74 HydrophobicContact CD2-CD2 4.49Å; L25-Y74 HydrophobicContact CD2-CE2 4.43Å; M72-Y74 HydrophobicContact CB-CD2 4.43Å; M72-Y74 HydrophobicContact CB-CE2 3.45Å; M72-Y74 VanDerWaalsContact CB-CE2 3.45Å; M72-Y74 VanDerWaalsContact CB-OH 3.26Å; M72-Y74 WeakPolarHBondContact CB-OH 3.33Å; M72-Y74 HydrophobicContact CE-CE1 4.36Å; Y74-W86 HydrophobicContact CG-CE3 4.14Å; Y74-W86 HydrophobicContact CG-CZ3 4.24Å
75C95.9Very high88.2Confident15 Ų1568.8 Ų68.810%0.10134%0.335CS..EExtended strand (participates in β ladder)trans-104.4148160.5590000109.6C2 V14 D15 W16 G87C2-C75 HydrophobicContact CB-CB 3.42Å; C2-C75 VanDerWaalsContact CB-CB 3.42Å; C2-C75 WeakPolarHBondContact CB-SG 3.34Å; C2-C75 WeakPolarHBondContact SG-CB 3.36Å; C2-C75 CovalentContact SG-SG 2.02Å; C2-C75 PolarHBondContact SG-SG 3.34Å; V14-C75 HydrophobicContact CG1-CB 4.05Å; D15-C75 CarbonylContact O-C 3.53Å; D15-C75 WeakPolarHBondContact O-CA 3.47Å; W16-C75 HydrophobicContact CD2-CB 4.41Å; W16-C75 HydrophobicContact CE3-CB 4.28Å; W16-C75 HydrophobicContact CH2-CB 4.17Å; W16-C75 HydrophobicContact CZ2-CB 4.29Å; W16-C75 HydrophobicContact CZ3-CB 4.16Å; C75-G87 PolarHBondContact O-N 3.34Å
76A95.5Very high88.5Confident2 Ų270.5 Ų70.52%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-140.6146.7175.800000112.3V14 D15 H78 F83 Y85 W86V14-A76 CarbonylContact C-O 3.46Å; V14-A76 VanDerWaalsContact CA-O 3.31Å; V14-A76 WeakPolarHBondContact CA-O 3.48Å; D15-A76 PolarHBondContact N-O 2.77Å; D15-A76 PolarHBondContact O-N 3.02Å; A76-H78 PolarHBondContact O-N 2.7Å; A76-F83 HydrophobicContact CB-CB 3.96Å; A76-F83 HydrophobicContact CB-CD1 3.87Å; A76-F83 HydrophobicContact CB-CG 4.17Å; A76-Y85 CarbonylContact C-O 3.54Å; A76-Y85 WeakPolarHBondContact CA-O 3.3Å; A76-Y85 WeakPolarHBondContact CB-O 3.2Å; A76-W86 HydrophobicContact CB-CD2 3.85Å; A76-W86 HydrophobicContact CB-CE3 4.02Å; A76-W86 HydrophobicContact CB-CG 4.22Å; A76-W86 HydrophobicContact CB-CZ3 4.44Å
77K94.9Very high88.6Confident21 Ų2165.6 Ų65.69%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-72.5126.2172-176.4-168.4179.4-178.90109.7F7 A84 Y85F7-K77 HydrophobicContact CD1-CD 3.75Å; F7-K77 HydrophobicContact CD1-CG 4.19Å; F7-K77 HydrophobicContact CD2-CD 4.38Å; F7-K77 HydrophobicContact CD2-CG 4.34Å; F7-K77 HydrophobicContact CE1-CB 3.88Å; F7-K77 HydrophobicContact CE1-CD 3.91Å; F7-K77 HydrophobicContact CE1-CG 3.87Å; F7-K77 HydrophobicContact CE2-CG 4.03Å; F7-K77 HydrophobicContact CG-CD 3.99Å; F7-K77 HydrophobicContact CG-CG 4.39Å; F7-K77 HydrophobicContact CZ-CB 3.85Å; F7-K77 HydrophobicContact CZ-CD 4.27Å; F7-K77 HydrophobicContact CZ-CG 3.77Å; K77-A84 PolarHBondContact O-N 3.36Å; K77-Y85 HydrophobicContact CB-CD2 4.34Å; K77-Y85 HydrophobicContact CD-CD2 3.78Å; K77-Y85 HydrophobicContact CD-CE2 4.3Å; K77-Y85 PolarHBondContact N-O 3.33Å
78H91.4Very high88.7Confident40 Ų4071 Ų7119%0.18534%0.342CS..EExtended strand (participates in β ladder)trans-72.5134172.8-160.788.5000111.6G13 D15 W32 A76G13-H78 WeakPolarHBondContact O-CB 3.37Å; G13-H78 PolarHBondContact O-N 2.81Å; D15-H78 IonicContact OD1-ND1 3.51Å; D15-H78 WeakPolarHBondContact OD2-CA 3.36Å; D15-H78 WeakPolarHBondContact OD2-CB 3.3Å; D15-H78 IonicContact OD2-CG 3.42Å; D15-H78 IonicContact OD2-ND1 2.89Å; D15-H78 PolarHBondContact OD2-ND1 3.28Å; W32-H78 AromaticContact CH2-CD2 3.93Å; W32-H78 AromaticContact CH2-CE1 3.54Å; W32-H78 AromaticContact CH2-ND1 3.89Å; W32-H78 AromaticContact CH2-NE2 3.56Å; W32-H78 HydrophobicContact CZ3-CB 4.38Å; W32-H78 AromaticContact CZ3-CD2 3.44Å; W32-H78 VanDerWaalsContact CZ3-CD2 3.44Å; W32-H78 WeakPolarHBondContact CZ3-CD2 3.46Å; W32-H78 AromaticContact CZ3-CE1 3.85Å; W32-H78 AromaticContact CZ3-CG 3.63Å; W32-H78 AromaticContact CZ3-ND1 3.89Å; W32-H78 AromaticContact CZ3-NE2 3.58Å; A76-H78 PolarHBondContact O-N 2.7Å
79R84.5Confident89Confident135 Ų13566.2 Ų66.251%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-152113.7172.7-175.1-178.5-175.5175.41.7111.6Y81 A82 A84R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 PolarHBondContact O-N 3.08Å; R79-Y81 VanDerWaalsContact O-N 3.1Å; R79-A82 PolarHBondContact N-O 3.23Å; R79-A82 WeakPolarHBondContact O-CA 3.44Å; R79-A82 PolarHBondContact O-N 2.78Å; R79-A84 HydrophobicContact CB-CB 3.77Å; R79-A84 HydrophobicContact CG-CB 4.49Å
80D72.6Confident89.2Confident130 Ų13068.8 Ų68.870%0.69534%0.339SS*.THydrogen-bonded Turntrans39.754.3168.1-49.7-42.1000113.6A82D80-A82 PolarHBondContact O-N 3.2Å
81Y68.9Low89.3Confident230 Ų23072.3 Ų72.390%0.90236%0.356SS*.THydrogen-bonded Turntrans75.38.8-179.8-43-77.9000117R79R79-Y81 VanDerWaalsContact C-N 3.3Å; R79-Y81 PolarHBondContact O-N 3.08Å; R79-Y81 VanDerWaalsContact O-N 3.1Å
82A73.9Confident89.3Confident55 Ų5574 Ų7446%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-129.6162.117500000112.6R79 D80R79-A82 PolarHBondContact N-O 3.23Å; R79-A82 WeakPolarHBondContact O-CA 3.44Å; R79-A82 PolarHBondContact O-N 2.78Å; D80-A82 PolarHBondContact O-N 3.2Å
83F78.4Confident89.1Confident77 Ų7776.2 Ų76.234%0.33838%0.383SS..EExtended strand (participates in β ladder)trans-92.1106.2170.6-56.2-63.3000109.1D15 V17 W27 A76 W86D15-F83 HydrophobicContact CB-CD1 3.9Å; D15-F83 HydrophobicContact CB-CE1 3.48Å; D15-F83 VanDerWaalsContact CB-CE1 3.48Å; V17-F83 HydrophobicContact CG2-CE1 4.34Å; V17-F83 HydrophobicContact CG2-CZ 4.12Å; W27-F83 AromaticContact CD1-CZ 3.79Å; A76-F83 HydrophobicContact CB-CB 3.96Å; A76-F83 HydrophobicContact CB-CD1 3.87Å; A76-F83 HydrophobicContact CB-CG 4.17Å; F83-W86 HydrophobicContact CB-CZ2 3.58Å; F83-W86 VanDerWaalsContact CB-NE1 3.32Å; F83-W86 HydrophobicContact CD1-CZ2 4.46Å; F83-W86 AromaticContact CD2-CH2 3.93Å; F83-W86 HydrophobicContact CD2-CH2 3.93Å; F83-W86 AromaticContact CD2-CZ2 3.29Å; F83-W86 HydrophobicContact CD2-CZ2 3.29Å; F83-W86 HydrophobicContact CE2-CH2 4.26Å; F83-W86 HydrophobicContact CE2-CZ2 4.04Å; F83-W86 AromaticContact CG-CE2 3.99Å; F83-W86 HydrophobicContact CG-CH2 4.22Å; F83-W86 AromaticContact CG-CZ2 3.52Å; F83-W86 HydrophobicContact CG-CZ2 3.52Å
84A78.7Confident88.9Confident35 Ų3577.2 Ų77.229%0.28939%0.39SS..EExtended strand (participates in β ladder)trans-79.4-38-172.400000113.4K77 R79K77-A84 PolarHBondContact O-N 3.36Å; R79-A84 HydrophobicContact CB-CB 3.77Å; R79-A84 HydrophobicContact CG-CB 4.49Å
85Y86.8Confident88.6Confident149 Ų14980.3 Ų80.358%0.58442%0.418SS*.EExtended strand (participates in β ladder)trans-141.4129.4-178.2-61.1-76.2000109.7A76 K77A76-Y85 CarbonylContact C-O 3.54Å; A76-Y85 WeakPolarHBondContact CA-O 3.3Å; A76-Y85 WeakPolarHBondContact CB-O 3.2Å; K77-Y85 HydrophobicContact CB-CD2 4.34Å; K77-Y85 HydrophobicContact CD-CD2 3.78Å; K77-Y85 HydrophobicContact CD-CE2 4.3Å; K77-Y85 PolarHBondContact N-O 3.33Å
86W93.3Very high87.8Confident100 Ų10087 Ų8738%0.37947%0.474SS..EExtended strand (participates in β ladder)trans-106140.8-179.4-69.379.6000110.9V17 L25 Y74 A76 F83V17-W86 HydrophobicContact CB-CH2 3.99Å; V17-W86 HydrophobicContact CB-CZ3 3.76Å; V17-W86 HydrophobicContact CG1-CH2 3.95Å; V17-W86 HydrophobicContact CG1-CZ3 4Å; V17-W86 HydrophobicContact CG2-CH2 3.76Å; V17-W86 HydrophobicContact CG2-CZ3 3.89Å; L25-W86 HydrophobicContact CD1-CH2 3.97Å; L25-W86 HydrophobicContact CD1-CZ2 4.39Å; Y74-W86 HydrophobicContact CG-CE3 4.14Å; Y74-W86 HydrophobicContact CG-CZ3 4.24Å; A76-W86 HydrophobicContact CB-CD2 3.85Å; A76-W86 HydrophobicContact CB-CE3 4.02Å; A76-W86 HydrophobicContact CB-CG 4.22Å; A76-W86 HydrophobicContact CB-CZ3 4.44Å; F83-W86 HydrophobicContact CB-CZ2 3.58Å; F83-W86 VanDerWaalsContact CB-NE1 3.32Å; F83-W86 HydrophobicContact CD1-CZ2 4.46Å; F83-W86 AromaticContact CD2-CH2 3.93Å; F83-W86 HydrophobicContact CD2-CH2 3.93Å; F83-W86 AromaticContact CD2-CZ2 3.29Å; F83-W86 HydrophobicContact CD2-CZ2 3.29Å; F83-W86 HydrophobicContact CE2-CH2 4.26Å; F83-W86 HydrophobicContact CE2-CZ2 4.04Å; F83-W86 AromaticContact CG-CE2 3.99Å; F83-W86 HydrophobicContact CG-CH2 4.22Å; F83-W86 AromaticContact CG-CZ2 3.52Å; F83-W86 HydrophobicContact CG-CZ2 3.52Å
87G93.3Very high87.5Confident29 Ų2991.3 Ų91.330%0.29950%0.497SS..  trans-68.8161.9163.800000111.2C75 G89C75-G87 PolarHBondContact O-N 3.34Å; G87-G89 PolarHBondContact O-N 2.97Å; G87-G89 VanDerWaalsContact O-N 3.11Å
88Q93.7Very high87.1Confident182 Ų18294.9 Ų94.985%0.8552%0.518SS*.  trans-61.6-19.8178.6-66.1-63.8-41.600113.4
89G94.6Very high86.8Confident23 Ų2398 Ų9824%0.23754%0.537CS..  trans84.7163.4-17700000112.9Y73 G87Y73-G89 CarbonylContact O-C 3.54Å; Y73-G89 WeakPolarHBondContact O-CA 3.4Å; G87-G89 PolarHBondContact O-N 2.97Å; G87-G89 VanDerWaalsContact O-N 3.11Å
90T96.5Very high87Confident91 Ų9195.8 Ų95.856%0.55854%0.538SS*.EExtended strand (participates in β ladder)trans-137.8127.6176.5-63.10000109Y73 V92Y73-T90 PolarHBondContact N-O 2.84Å; Y73-T90 PolarHBondContact O-N 3.4Å; T90-V92 PolarHBondContact O-N 2.6Å
91L96.3Very high87.9Confident102 Ų10293.7 Ų93.753%0.53453%0.528SS..EExtended strand (participates in β ladder)trans-72.3124.2172.1-177.260.4000108.9M72M72-L91 HydrophobicContact CG-CD1 4.42Å; M72-L91 VanDerWaalsContact SD-CA 3.51Å; M72-L91 HydrophobicContact SD-CB 3.53Å; M72-L91 VanDerWaalsContact SD-CB 3.53Å; M72-L91 HydrophobicContact SD-CD1 3.91Å; M72-L91 HydrophobicContact SD-CG 4.29Å
92V94.5Very high89.1Confident35 Ų3584.6 Ų84.621%0.21250%0.503CS..EExtended strand (participates in β ladder)trans-112.7123.3167.61800000107M62 T70 A71 Y73 T90 V94M62-V92 HydrophobicContact CE-CG2 4.4Å; T70-V92 WeakPolarHBondContact CA-O 3.43Å; A71-V92 PolarHBondContact N-O 3.2Å; A71-V92 VanDerWaalsContact N-O 3.11Å; A71-V92 PolarHBondContact O-N 3.4Å; Y73-V92 HydrophobicContact CD2-CB 3.82Å; Y73-V92 HydrophobicContact CD2-CG2 3.63Å; Y73-V92 HydrophobicContact CE2-CB 3.73Å; Y73-V92 HydrophobicContact CE2-CG1 4.49Å; Y73-V92 HydrophobicContact CE2-CG2 4Å; Y73-V92 HydrophobicContact CG-CG2 4.42Å; T90-V92 PolarHBondContact O-N 2.6Å; V92-V94 HydrophobicContact CG1-CG2 4.4Å
93T94.8Very high90.2Very high101 Ų10186.7 Ų86.762%0.6251%0.507SS*.  trans-113.6128.9177.8-53.60000109T70T70-T93 HydrophobicContact CG2-CG2 4.31Å
94V91.9Very high91.1Very high30 Ų3087.5 Ų87.518%0.18252%0.52CS..  trans-119.1116.1176.9-172.60000107.5L65 Q66 T70 V92L65-V94 HydrophobicContact CB-CG1 4.32Å; L65-V94 HydrophobicContact CB-CG2 3.96Å; L65-V94 HydrophobicContact CD1-CG2 4.25Å; Q66-V94 WeakPolarHBondContact O-CB 3.32Å; Q66-V94 WeakPolarHBondContact O-CG1 3.47Å; T70-V94 PolarHBondContact OG1-N 3.28Å; T70-V94 PolarHBondContact OG1-O 3.13Å; V92-V94 HydrophobicContact CG1-CG2 4.4Å
95S90.2Very high92.2Very high105 Ų10591.8 Ų91.873%0.73454%0.539SS*.  trans-99.8154.1175.256.80000110.7
96A80.3Confident92.7Very high155 Ų15586.6 Ų86.6100%1.28154%0.535SS*.  trans-70.10173.300000112.7T67T67-A96 HydrophobicContact CG2-CB 4.19Å

Retrieved 96 of 96 residues in 66.9 ms (Link to these results)

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