X5J5F7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1P81.8Confident91.1Very high145 Ų14575 Ų7594%0.94243%0.43SS*.  0136.3027.3-26.1000110.3T107P1-T107 CarbonylContact C-O 3.59Å; P1-T107 WeakPolarHBondContact CA-O 3.31Å
2Q90.4Very high91.6Very high60 Ų6068.8 Ų68.828%0.2839%0.394SS..EExtended strand (participates in β ladder)trans-124130.9-179.6-67.1-176.4-6.600109K11 T106 T107 L108 T109Q2-K11 PolarHBondContact NE2-O 3.25Å; Q2-T106 HydrophobicContact CG-CG2 4.12Å; Q2-T107 PolarHBondContact N-O 3.45Å; Q2-L108 HydrophobicContact CB-CD1 3.94Å; Q2-L108 CarbonylContact O-C 3.59Å; Q2-L108 WeakPolarHBondContact O-CA 3.1Å; Q2-T109 PolarHBondContact O-N 3.44Å
3L92.4Very high92Very high84 Ų8468.8 Ų68.844%0.4440%0.401SS..EExtended strand (participates in β ladder)trans-110.4123.6173176.460.2000108.1T109 A115L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.85Å; L3-A115 HydrophobicContact CD2-CB 3.72Å
4V93Very high92.3Very high24 Ų2464.9 Ų64.915%0.14538%0.379CS..EExtended strand (participates in β ladder)trans-132.7150.6-178.1-58.60000111.1V10 P78 L108 T109 V110 S111V4-V10 HydrophobicContact CG1-CB 4.02Å; V4-V10 HydrophobicContact CG1-CG2 3.8Å; V4-P78 HydrophobicContact CG2-CG 4.16Å; V4-L108 HydrophobicContact CG1-CD1 4.12Å; V4-L108 HydrophobicContact CG2-CD1 3.76Å; V4-T109 PolarHBondContact N-O 3.46Å; V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG1 4.39Å; V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 WeakPolarHBondContact O-CA 3.49Å; V4-S111 PolarHBondContact O-N 2.62Å; V4-S111 VanDerWaalsContact O-N 3.11Å
5R91Very high92.6Very high168 Ų16870.9 Ų70.963%0.63440%0.399SS*.  trans-76.4147.6173.3-68.4-176.8179.6172.60.1110.3G7 A8R5-G7 PolarHBondContact O-N 3.27Å; R5-A8 WeakPolarHBondContact O-CB 3.49Å; R5-A8 PolarHBondContact O-N 3.01Å
6P91.4Very high92.6Very high67 Ų6767.1 Ų67.144%0.43538%0.379SS..THydrogen-bonded Turntrans-52.5139171-24.331.6000111.5A8 P78 V110 S111P6-A8 PolarHBondContact O-N 3.32Å; P6-P78 WeakPolarHBondContact CA-O 3.24Å; P6-V110 HydrophobicContact CB-CG1 4.31Å; P6-V110 HydrophobicContact CG-CG1 4.05Å; P6-S111 WeakPolarHBondContact CD-O 3.43Å
7G88.3Confident92.5Very high45 Ų4569.2 Ų69.246%0.46440%0.399SS..THydrogen-bonded Turntrans82-13.6179.800000115.4R5 P78R5-G7 PolarHBondContact O-N 3.27Å; G7-P78 PolarHBondContact N-O 2.91Å; G7-P78 VanDerWaalsContact N-O 3.16Å
8A89.8Confident92.4Very high44 Ų4470.3 Ų70.336%0.36443%0.428SS..  trans-81.9131.9176.200000111.3R5 P6 P78R5-A8 WeakPolarHBondContact O-CB 3.49Å; R5-A8 PolarHBondContact O-N 3.01Å; P6-A8 PolarHBondContact O-N 3.32Å; A8-P78 WeakPolarHBondContact O-CD 3.47Å; A8-P78 VanDerWaalsContact O-CG 3.3Å; A8-P78 WeakPolarHBondContact O-CG 3.37Å
9S92.9Very high92.2Very high71 Ų7169.5 Ų69.550%0.49742%0.417SS..  trans-66.1139.8174.6-70.50000111.4L75S9-L75 WeakPolarHBondContact CA-O 3.47Å
10V95.2Very high92.2Very high10 Ų1069 Ų696%0.06142%0.417CS..EExtended strand (participates in β ladder)trans-127.5140.9177.364.40000110.7V4 Q74 L75 P78 L108V4-V10 HydrophobicContact CG1-CB 4.02Å; V4-V10 HydrophobicContact CG1-CG2 3.8Å; V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.11Å; V10-L75 HydrophobicContact CG1-CB 3.82Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.87Å; V10-L75 PolarHBondContact O-N 2.95Å; V10-P78 HydrophobicContact CG1-CG 4.29Å; V10-L108 HydrophobicContact CG1-CD1 4.15Å; V10-L108 HydrophobicContact CG1-CD2 3.95Å; V10-L108 HydrophobicContact CG2-CD1 3.99Å
11K96.4Very high92.3Very high107 Ų10766 Ų6647%0.46540%0.398SS..EExtended strand (participates in β ladder)trans-116.2120.4179.1-168.2173.9-179-178.10109.8Q2 Y72Q2-K11 PolarHBondContact NE2-O 3.25Å; K11-Y72 HydrophobicContact CD-CD1 4.15Å; K11-Y72 HydrophobicContact CD-CG 4.42Å; K11-Y72 HydrophobicContact CG-CD1 4.13Å; K11-Y72 HydrophobicContact CG-CG 4.49Å
12I96.8Very high92.8Very high1 Ų161.7 Ų61.71%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-102.6134.1176-50.9-173.8000107.7W28 Y72 M73 L75 Y86 T106I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CG2-CH2 4.14Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 3.33Å; I12-Y72 CarbonylContact O-C 3.42Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.25Å; I12-M73 HydrophobicContact CB-CE 4.39Å; I12-M73 HydrophobicContact CD1-CE 3.65Å; I12-M73 HydrophobicContact CG1-CE 4.23Å; I12-M73 PolarHBondContact N-O 2.92Å; I12-M73 PolarHBondContact O-N 2.81Å; I12-L75 HydrophobicContact CD1-CD1 4.47Å; I12-Y86 HydrophobicContact CD1-CD1 4.21Å; I12-Y86 HydrophobicContact CD1-CD2 3.85Å; I12-Y86 HydrophobicContact CD1-CG 3.64Å; I12-T106 HydrophobicContact CG2-CG2 4.33Å
13S97Very high92.9Very high68 Ų6863 Ų6348%0.47638%0.378SS..EExtended strand (participates in β ladder)trans-112.1148.1-178.960.80000111.8A71 Y72S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14C96.4Very high92.8Very high14 Ų1461.6 Ų61.610%0.09537%0.367CS..EExtended strand (participates in β ladder)trans-133.8107.4171.6-178.40000108.6M26 W28 T70 A71 C88C14-M26 VanDerWaalsContact SG-SD 3.7Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 WeakPolarHBondContact O-CA 2.99Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.91Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å
15K96Very high92.8Very high156 Ų15661.7 Ų61.768%0.67837%0.365SS*.EExtended strand (participates in β ladder)trans-93.3124.4-178.8-175.6172.4-177.41790110.3T70K15-T70 HydrophobicContact CB-CG2 4.45Å
16A92.9Very high93Very high10 Ų1053.8 Ų53.88%0.08334%0.335CS..  trans-72.6144.4173.100000111.2Y19 F21 S69A16-Y19 HydrophobicContact CB-CD1 4.41Å; A16-Y19 HydrophobicContact CB-CE1 3.64Å; A16-Y19 HydrophobicContact CB-CE2 3.89Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.38Å; A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.26Å; A16-F21 HydrophobicContact CB-CG 3.94Å; A16-S69 WeakPolarHBondContact CB-O 3.44Å; A16-S69 PolarHBondContact N-O 2.93Å
17S91.4Very high93.2Very high102 Ų10251.1 Ų51.171%0.71332%0.317SS*.  trans-148.5135.717560.10000110.3Y19S17-Y19 WeakPolarHBondContact O-CD1 3.4Å
18G90.4Very high93.6Very high90 Ų9049.1 Ų49.193%0.92830%0.295SS*.SBendtrans79.317.5177.100000115.9
19Y88.5Confident94Very high55 Ų5547.2 Ų47.222%0.21628%0.279CS..SBendtrans-157.9164.917663.8-82.3000112.5A16 S17 F21 Y24A16-Y19 HydrophobicContact CB-CD1 4.41Å; A16-Y19 HydrophobicContact CB-CE1 3.64Å; A16-Y19 HydrophobicContact CB-CE2 3.89Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.38Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; Y19-F21 HydrophobicContact CE2-CD2 4.45Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.2Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.29Å; Y19-Y24 HydrophobicContact CE2-CG 4.14Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.23Å
20S92.6Very high94.2Very high59 Ų5943.8 Ų43.841%0.41326%0.256SS..  trans-71.4102.5170.4-176.60000110.1T22 N23 Y24S20-T22 PolarHBondContact O-N 3.04Å; S20-T22 PolarHBondContact OG-OG1 3.24Å; S20-N23 PolarHBondContact O-N 2.66Å; S20-N23 PolarHBondContact OG-OD1 2.94Å; S20-N23 VanDerWaalsContact OG-OD1 3.13Å; S20-Y24 WeakPolarHBondContact O-CD2 3.39Å
21F93.1Very high94.2Very high7 Ų746.5 Ų46.53%0.03127%0.267CS..G310 helixtrans-54.7-35.1-175.6177.1-127.8000113.6A16 Y19 N23 M26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 3.92Å; A16-F21 HydrophobicContact CB-CD2 3.48Å; A16-F21 VanDerWaalsContact CB-CD2 3.48Å; A16-F21 HydrophobicContact CB-CE2 4.26Å; A16-F21 HydrophobicContact CB-CG 3.94Å; Y19-F21 HydrophobicContact CE2-CD2 4.45Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-N23 PolarHBondContact O-N 3.47Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.3Å; F21-P45 HydrophobicContact CD2-CB 4.4Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.92Å; F21-P45 HydrophobicContact CE2-CB 4.14Å; F21-P45 HydrophobicContact CE2-CG 3.64Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CE1-CG1 4.38Å; F21-V64 HydrophobicContact CZ-CG1 4.09Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.97Å
22T93.6Very high94.2Very high54 Ų5444 Ų4433%0.33126%0.255SS..G310 helixtrans-75.5-6-178.755.20000114.4S20 Y24 S46S20-T22 PolarHBondContact O-N 3.04Å; S20-T22 PolarHBondContact OG-OG1 3.24Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; T22-S46 WeakPolarHBondContact O-CB 3.44Å
23N91.3Very high93.9Very high88 Ų8849.7 Ų49.747%0.47129%0.292SS..G310 helixtrans-90.8-0.8179.4-64.311.8000112.6S20 F21 S93S20-N23 PolarHBondContact O-N 2.66Å; S20-N23 PolarHBondContact OG-OD1 2.94Å; S20-N23 VanDerWaalsContact OG-OD1 3.13Å; F21-N23 PolarHBondContact O-N 3.47Å; N23-S93 WeakPolarHBondContact O-CB 3.5Å; N23-S93 PolarHBondContact O-N 2.87Å
24Y90.6Very high93.7Very high54 Ų5450.9 Ų50.921%0.21232%0.315CS..EExtended strand (participates in β ladder)trans-133.4137.7-170.8-63.3-98000111.5Y19 S20 T22 P45 R90 D91 I92Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CE2 3.53Å; Y19-Y24 HydrophobicContact CD2-CG 4.2Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.29Å; Y19-Y24 HydrophobicContact CE2-CG 4.14Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.23Å; S20-Y24 WeakPolarHBondContact O-CD2 3.39Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; Y24-P45 WeakPolarHBondContact O-CG 3.41Å; Y24-R90 HydrophobicContact CD1-CB 4.3Å; Y24-R90 HydrophobicContact CD1-CG 4.07Å; Y24-D91 CarbonylContact C-O 3.58Å; Y24-D91 WeakPolarHBondContact CA-O 3.45Å; Y24-D91 VanDerWaalsContact CB-O 3.31Å; Y24-D91 WeakPolarHBondContact CB-O 3.42Å; Y24-I92 HydrophobicContact CD1-CB 4.48Å; Y24-I92 HydrophobicContact CD1-CG1 3.87Å; Y24-I92 HydrophobicContact CE1-CB 4.43Å; Y24-I92 HydrophobicContact CE1-CD1 4.41Å; Y24-I92 HydrophobicContact CE1-CG1 3.42Å; Y24-I92 VanDerWaalsContact CE1-CG1 3.42Å
25W93.1Very high93.6Very high26 Ų2654.9 Ų54.910%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-69.5139.9165-73.173.1000109.7M42 D44 E49 R90 D91 S93W25-M42 HydrophobicContact CD2-CE 3.84Å; W25-M42 HydrophobicContact CE3-CB 4.08Å; W25-M42 HydrophobicContact CE3-CE 3.31Å; W25-M42 HydrophobicContact CE3-CG 3.55Å; W25-M42 HydrophobicContact CE3-SD 3.97Å; W25-M42 HydrophobicContact CH2-CE 3.7Å; W25-M42 HydrophobicContact CZ2-CE 4.22Å; W25-M42 HydrophobicContact CZ3-CE 3.23Å; W25-M42 HydrophobicContact CZ3-CG 3.77Å; W25-M42 HydrophobicContact CZ3-SD 4.27Å; W25-D44 HydrophobicContact CD2-CB 3.82Å; W25-D44 HydrophobicContact CE3-CB 3.85Å; W25-D44 HydrophobicContact CH2-CB 3.84Å; W25-D44 HydrophobicContact CZ2-CB 3.76Å; W25-D44 HydrophobicContact CZ3-CB 3.86Å; W25-D44 PolarHBondContact NE1-OD2 2.93Å; W25-E49 HydrophobicContact CH2-CB 4.07Å; W25-E49 HydrophobicContact CH2-CG 4.08Å; W25-R90 VanDerWaalsContact O-CA 3.27Å; W25-R90 WeakPolarHBondContact O-CA 3.32Å; W25-D91 PolarHBondContact N-O 3.37Å; W25-D91 PolarHBondContact O-N 2.78Å; W25-D91 VanDerWaalsContact O-N 3.13Å; W25-S93 PolarHBondContact NE1-OG 2.82Å
26M95.3Very high93.4Very high2 Ų250 Ų501%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-105.2114.8173.5-171.260.96300110.1C14 F21 M42 I43 A71 C88 A89 R90C14-M26 VanDerWaalsContact SG-SD 3.7Å; F21-M26 HydrophobicContact CE2-CE 4Å; M26-M42 CarbonylContact O-C 3.59Å; M26-M42 WeakPolarHBondContact O-CA 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.2Å; M26-I43 PolarHBondContact O-N 2.93Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.63Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.7Å; M26-A89 VanDerWaalsContact SD-O 3.37Å; M26-R90 HydrophobicContact CE-CB 4.45Å
27H95.9Very high93.6Very high11 Ų1154.1 Ų54.15%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-96.7146.5179-62.5-106.7000110.7W39 G41 M42 C88 A89 F99H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.21Å; H27-G41 CarbonylContact C-O 3.59Å; H27-G41 WeakPolarHBondContact CA-O 3.3Å; H27-M42 PolarHBondContact CE1-SD 3Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.64Å; H27-F99 HydrophobicContact CB-CD1 4.39Å; H27-F99 HydrophobicContact CB-CE1 3.76Å; H27-F99 HydrophobicContact CB-CZ 4.17Å; H27-F99 AromaticContact CD2-CE1 3.5Å; H27-F99 VanDerWaalsContact CD2-CE1 3.5Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.42Å; H27-F99 AromaticContact CE1-CE1 3.59Å; H27-F99 AromaticContact CG-CE1 3.23Å; H27-F99 AromaticContact CG-CZ 3.84Å; H27-F99 AromaticContact ND1-CE1 3.29Å; H27-F99 VanDerWaalsContact ND1-CE1 3.29Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.18Å; H27-F99 AromaticContact ND1-CZ 3.57Å; H27-F99 AromaticContact NE2-CE1 3.73Å
28W97.5Very high93.8Very high2 Ų251 Ų511%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-118.4132175.8-68.590.5000110I12 C14 I40 G41 L62 A71 M73 Y87 C88I12-W28 HydrophobicContact CB-CH2 4.34Å; I12-W28 HydrophobicContact CB-CZ3 4.05Å; I12-W28 HydrophobicContact CG2-CH2 4.14Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 3.33Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.11Å; W28-G41 PolarHBondContact N-O 2.88Å; W28-L62 HydrophobicContact CG-CD2 4.1Å; W28-A71 HydrophobicContact CZ2-CB 4.22Å; W28-M73 HydrophobicContact CB-SD 4.13Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.28Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 4.15Å; W28-M73 HydrophobicContact CE3-SD 4.2Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.28Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å
29V97Very high94Very high4 Ų450.6 Ų50.62%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-136.9134.5-173.7-175.70000109.5L37 E38 Y86 Y87 W102V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-Y87 PolarHBondContact N-O 3.34Å; V29-Y87 PolarHBondContact O-N 2.89Å; V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.81Å; V29-W102 HydrophobicContact CG1-CH2 4.06Å; V29-W102 HydrophobicContact CG1-CZ3 4.01Å; V29-W102 HydrophobicContact CG2-CH2 3.76Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å
30K96.4Very high94.5Very high0 Ų048 Ų480%028%0.281CS..EExtended strand (participates in β ladder)trans-102.2139.6175.6-176.1-178.9-179.4-176.30109.6E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.16Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 4.24Å; K30-F56 HydrophobicContact CD-CZ 4.32Å; K30-E81 PolarHBondContact NZ-O 3.2Å; K30-D82 IonicContact NZ-OD1 3.93Å; K30-D82 PolarHBondContact NZ-OD1 2.98Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.26Å; K30-Y86 HydrophobicContact CB-CE1 4.02Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å
31Q97.1Very high94.6Very high66 Ų6645.1 Ų45.131%0.30826%0.261SS..EExtended strand (participates in β ladder)trans-130.5117.7169.7-166.3-179.926.500110.4L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3.06Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 2.85Å
32R95.1Very high94.8Very high56 Ų5646 Ų4621%0.21127%0.266CS..  trans-86.3150.1170-61.8-165.6-168.387.41.8110.4G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 3.34Å; R32-E38 IonicContact CZ-OE1 3.29Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.82Å; R32-E38 IonicContact NH2-OE1 2.9Å; R32-E81 PolarHBondContact NE-O 2.92Å; R32-E81 PolarHBondContact NH2-O 3.43Å; R32-A84 HydrophobicContact CG-CB 4.25Å
33P91.2Very high94.9Very high119 Ų11943.5 Ų43.577%0.77325%0.25SS*.THydrogen-bonded Turntrans-52.7127.1172.9-25.534.5000111.4Q35P33-Q35 PolarHBondContact O-N 2.93Å
34G92.4Very high95.1Very high93 Ų9339.6 Ų39.696%0.95923%0.229SC*.THydrogen-bonded Turntrans72.35.3-179.500000115.8R32R32-G34 PolarHBondContact O-N 2.82Å
35Q93.4Very high95.3Very high98 Ų9837 Ų3746%0.45822%0.219SC..SBendtrans-114161.9176.6-57.7-1745.800111.6R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 3.34Å; P33-Q35 PolarHBondContact O-N 2.93Å
36G93.7Very high95.3Very high54 Ų5438.2 Ų38.256%0.55723%0.232SC*.  trans-68.3174.6173.400000113.3
37L95.1Very high95.3Very high97 Ų9742.7 Ų42.751%0.50826%0.256SS..EExtended strand (participates in β ladder)trans-72.8131.1173.9-64.3175000110.5V29 Q31 W102V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.35Å; Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W102 HydrophobicContact CD1-CH2 3.9Å; L37-W102 HydrophobicContact CD1-CZ2 4.49Å; L37-W102 HydrophobicContact CD1-CZ3 4.46Å
38E96Very high95.3Very high37 Ų3745 Ų4517%0.17327%0.273CS..EExtended strand (participates in β ladder)trans-112.1113.9174.9-66.8-170.8-93.100110V29 K30 R32 I40 K55V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.16Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE1 3.29Å; R32-E38 IonicContact NH1-OE1 2.81Å; R32-E38 PolarHBondContact NH1-OE1 2.82Å; R32-E38 IonicContact NH2-OE1 2.9Å; E38-I40 PolarHBondContact O-N 3.45Å; E38-K55 IonicContact OE2-NZ 3.59Å
39W95.9Very high95.2Very high80 Ų8048.4 Ų48.430%0.30329%0.289SS..EExtended strand (participates in β ladder)trans-72.6125.3175.9-177.576.4000111.1H27 G41 M42 R51 N53H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.21Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-G41 VanDerWaalsContact NE1-O 3.17Å; W39-M42 HydrophobicContact CZ2-CB 3.96Å; W39-M42 HydrophobicContact CZ2-CG 3.83Å; W39-M42 HydrophobicContact CZ2-SD 3.86Å; W39-R51 HydrophobicContact CH2-CB 4.34Å; W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.79Å
40I97.3Very high95.1Very high0 Ų051.5 Ų51.50%031%0.308CS..EExtended strand (participates in β ladder)trans-91.2-47.7-177.9-58.5174.3000110.2W28 K30 E38 L52 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.46Å; W28-I40 PolarHBondContact O-N 3.11Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.45Å; I40-L52 HydrophobicContact CG2-CD2 4.46Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 2.8Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.33Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.4Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.87Å; I40-M73 HydrophobicContact CD1-CE 4.17Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.69Å
41G96.4Very high95.1Very high0 Ų057.7 Ų57.70%033%0.331CS..EExtended strand (participates in β ladder)trans170.8-178.4-173.600000112.9H27 W28 W39 R51H27-G41 CarbonylContact C-O 3.59Å; H27-G41 WeakPolarHBondContact CA-O 3.3Å; W28-G41 PolarHBondContact N-O 2.88Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-G41 VanDerWaalsContact NE1-O 3.17Å; G41-R51 CarbonylContact C-O 3.54Å; G41-R51 WeakPolarHBondContact CA-O 3.18Å
42M95.8Very high95.1Very high25 Ų2556.9 Ų56.912%0.12333%0.329CS..EExtended strand (participates in β ladder)trans-144.4154.2175.667.4-161.7-140.900111.2W25 M26 H27 W39 T50 R51 L62W25-M42 HydrophobicContact CD2-CE 3.84Å; W25-M42 HydrophobicContact CE3-CB 4.08Å; W25-M42 HydrophobicContact CE3-CE 3.31Å; W25-M42 HydrophobicContact CE3-CG 3.55Å; W25-M42 HydrophobicContact CE3-SD 3.97Å; W25-M42 HydrophobicContact CH2-CE 3.7Å; W25-M42 HydrophobicContact CZ2-CE 4.22Å; W25-M42 HydrophobicContact CZ3-CE 3.23Å; W25-M42 HydrophobicContact CZ3-CG 3.77Å; W25-M42 HydrophobicContact CZ3-SD 4.27Å; M26-M42 CarbonylContact O-C 3.59Å; M26-M42 WeakPolarHBondContact O-CA 3.42Å; H27-M42 PolarHBondContact CE1-SD 3Å; W39-M42 HydrophobicContact CZ2-CB 3.96Å; W39-M42 HydrophobicContact CZ2-CG 3.83Å; W39-M42 HydrophobicContact CZ2-SD 3.86Å; M42-T50 WeakPolarHBondContact O-CA 3.5Å; M42-R51 HydrophobicContact CE-CG 4.24Å; M42-R51 HydrophobicContact CG-CB 4.05Å; M42-R51 PolarHBondContact N-O 3.06Å; M42-R51 PolarHBondContact O-N 2.87Å; M42-L62 WeakPolarHBondContact O-CD1 3.41Å
43I96.4Very high95.1Very high2 Ų256.5 Ų56.51%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-133.2132.7174.9-177.2159.5000109.5M26 P45 E49 T50 L62 V64M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.2Å; M26-I43 PolarHBondContact O-N 2.93Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; I43-E49 CarbonylContact C-O 3.57Å; I43-E49 VanDerWaalsContact CA-O 3.26Å; I43-E49 WeakPolarHBondContact CA-O 3.29Å; I43-T50 HydrophobicContact CB-CG2 4.07Å; I43-T50 HydrophobicContact CD1-CG2 3.62Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.33Å; I43-V64 HydrophobicContact CD1-CB 4.4Å; I43-V64 HydrophobicContact CD1-CG1 3.71Å; I43-V64 HydrophobicContact CD1-CG2 4.18Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.97Å
44D95.2Very high95.3Very high6 Ų657.3 Ų57.33%0.03232%0.324CS..  trans-84.6115.2169.7-168.2-34.8000108.8W25 S46 D47 S48 E49 S93W25-D44 HydrophobicContact CD2-CB 3.82Å; W25-D44 HydrophobicContact CE3-CB 3.85Å; W25-D44 HydrophobicContact CH2-CB 3.84Å; W25-D44 HydrophobicContact CZ2-CB 3.76Å; W25-D44 HydrophobicContact CZ3-CB 3.86Å; W25-D44 PolarHBondContact NE1-OD2 2.93Å; D44-S46 PolarHBondContact O-N 2.84Å; D44-S46 WeakPolarHBondContact OD1-CA 3.16Å; D44-S46 WeakPolarHBondContact OD1-CB 3.4Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.16Å; D44-S46 PolarHBondContact OD2-OG 3.26Å; D44-D47 WeakPolarHBondContact CB-OD1 3.45Å; D44-S48 WeakPolarHBondContact O-CA 3.26Å; D44-S48 PolarHBondContact O-N 2.87Å; D44-E49 HydrophobicContact CB-CB 4.39Å; D44-E49 PolarHBondContact N-O 3.06Å; D44-S93 PolarHBondContact OD2-OG 3.16Å
45P95.2Very high95.4Very high0 Ų060.2 Ų60.20%031%0.311CS..THydrogen-bonded Turntrans-68.6-13.5178.3-17.332.7000114.4F21 Y24 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.3Å; F21-P45 HydrophobicContact CD2-CB 4.4Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.92Å; F21-P45 HydrophobicContact CE2-CB 4.14Å; F21-P45 HydrophobicContact CE2-CG 3.64Å; F21-P45 HydrophobicContact CG-CB 4.25Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.67Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; Y24-P45 WeakPolarHBondContact O-CD 3.39Å; Y24-P45 WeakPolarHBondContact O-CG 3.41Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-V64 HydrophobicContact CB-CG1 4.1Å; P45-V64 HydrophobicContact CG-CG1 4.28Å; P45-K66 WeakPolarHBondContact O-CD 3.39Å; P45-K66 WeakPolarHBondContact O-CE 2.92Å; P45-K66 PolarHBondContact O-NZ 3.1Å
46S93.9Very high95.4Very high51 Ų5156 Ų5636%0.35729%0.291SS..THydrogen-bonded Turntrans-73.2-44.7-180720000112.4T22 D44 K66T22-S46 WeakPolarHBondContact O-CB 3.44Å; D44-S46 PolarHBondContact O-N 2.84Å; D44-S46 WeakPolarHBondContact OD1-CA 3.16Å; D44-S46 WeakPolarHBondContact OD1-CB 3.4Å; D44-S46 PolarHBondContact OD1-N 2.81Å; D44-S46 PolarHBondContact OD1-OG 3.16Å; D44-S46 PolarHBondContact OD2-OG 3.26Å; S46-K66 PolarHBondContact O-NZ 3.18Å
47D94.3Very high95.4Very high96 Ų9659.2 Ų59.251%0.51329%0.289SS..THydrogen-bonded Turntrans-125.5-3.8-176.964.18000113.8D44 E49D44-D47 WeakPolarHBondContact CB-OD1 3.45Å; D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 WeakPolarHBondContact OD1-CB 3.23Å; D47-E49 PolarHBondContact OD1-N 3.19Å
48S95.1Very high95.3Very high58 Ų5861.7 Ų61.741%0.40630%0.303SS..  trans6821.8-175.9-37.10000114.1D44 T50D44-S48 WeakPolarHBondContact O-CA 3.26Å; D44-S48 PolarHBondContact O-N 2.87Å; S48-T50 PolarHBondContact O-N 3.22Å
49E95.5Very high95.3Very high75 Ų7563.1 Ų63.135%0.3531%0.309SS..  trans-58.7134.1169-170.8-172.8150.200109.4W25 I43 D44 D47 R51W25-E49 HydrophobicContact CH2-CB 4.07Å; W25-E49 HydrophobicContact CH2-CG 4.08Å; I43-E49 CarbonylContact C-O 3.57Å; I43-E49 VanDerWaalsContact CA-O 3.26Å; I43-E49 WeakPolarHBondContact CA-O 3.29Å; D44-E49 HydrophobicContact CB-CB 4.39Å; D44-E49 PolarHBondContact N-O 3.06Å; D47-E49 VanDerWaalsContact C-N 3.3Å; D47-E49 WeakPolarHBondContact OD1-CB 3.23Å; D47-E49 PolarHBondContact OD1-N 3.19Å; E49-R51 IonicContact OE1-CZ 2.66Å; E49-R51 VanDerWaalsContact OE1-CZ 3.29Å; E49-R51 IonicContact OE1-NE 3.44Å; E49-R51 PolarHBondContact OE1-NE 3.06Å; E49-R51 IonicContact OE1-NH2 3Å; E49-R51 PolarHBondContact OE1-NH2 2.79Å; E49-R51 IonicContact OE2-NH2 3.81Å
50T96.2Very high95.3Very high69 Ų6959.4 Ų59.442%0.42330%0.295SS..EExtended strand (participates in β ladder)trans-123.6142.1178.462.10000111.5M42 I43 S48 L62M42-T50 WeakPolarHBondContact O-CA 3.5Å; I43-T50 HydrophobicContact CB-CG2 4.07Å; I43-T50 HydrophobicContact CD1-CG2 3.62Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; S48-T50 PolarHBondContact O-N 3.22Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51R95.6Very high95.4Very high129 Ų12962.7 Ų62.749%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-130.1122.3168.7-56.7-171-172.3165.91.3109W39 G41 M42 E49W39-R51 HydrophobicContact CH2-CB 4.34Å; G41-R51 CarbonylContact C-O 3.54Å; G41-R51 WeakPolarHBondContact CA-O 3.18Å; M42-R51 HydrophobicContact CE-CG 4.24Å; M42-R51 HydrophobicContact CG-CB 4.05Å; M42-R51 PolarHBondContact N-O 3.06Å; M42-R51 PolarHBondContact O-N 2.87Å; E49-R51 IonicContact OE1-CZ 2.66Å; E49-R51 VanDerWaalsContact OE1-CZ 3.29Å; E49-R51 IonicContact OE1-NE 3.44Å; E49-R51 PolarHBondContact OE1-NE 3.06Å; E49-R51 IonicContact OE1-NH2 3Å; E49-R51 PolarHBondContact OE1-NH2 2.79Å; E49-R51 IonicContact OE2-NH2 3.81Å
52L96.8Very high95.4Very high50 Ų5063.3 Ų63.326%0.26232%0.319SS..EExtended strand (participates in β ladder)trans-110.1143.9178.9-73.6166.1000110I40 A60 L62I40-L52 HydrophobicContact CG2-CD2 4.46Å; L52-A60 WeakPolarHBondContact CD1-O 3.17Å; L52-A60 HydrophobicContact CD2-CB 4.18Å; L52-L62 HydrophobicContact CD2-CD1 4.05Å; L52-L62 HydrophobicContact CD2-CG 4.02Å
53N96.2Very high95.5Very high48 Ų4864.7 Ų64.726%0.25733%0.329SS..  trans-66.3137.8164.1180-25.7000109W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.84Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 WeakPolarHBondContact O-CB 3.35Å; W39-N53 PolarHBondContact O-ND2 2.79Å; I40-N53 WeakPolarHBondContact O-CB 3.45Å; I40-N53 PolarHBondContact O-N 2.8Å; N53-K55 PolarHBondContact O-N 2.75Å; N53-K55 PolarHBondContact OD1-N 2.77Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.92Å; N53-K57 PolarHBondContact O-N 3.35Å
54Q95.6Very high95.6Very high136 Ų13666 Ų6664%0.63634%0.337SS*.G310 helixtrans-52.9-33.1-177.8-170.160.230.100113.1F56Q54-F56 PolarHBondContact O-N 2.91Å
55K93.3Very high95.7Very high154 Ų15468.3 Ų68.367%0.6735%0.349SS*.G310 helixtrans-62.7-24.7176.5-68.6-175.5178.7-178.60114.2E38 N53E38-K55 IonicContact OE2-NZ 3.59Å; N53-K55 PolarHBondContact O-N 2.75Å; N53-K55 PolarHBondContact OD1-N 2.77Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56F94.9Very high95.6Very high8 Ų873.1 Ų73.14%0.03537%0.37CS..G310 helixtrans-114.6-2.2-173.1-62.3-84.1000113.1K30 I40 N53 Q54 D58 K59 A60K30-F56 HydrophobicContact CD-CE1 4.24Å; K30-F56 HydrophobicContact CD-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.33Å; I40-F56 HydrophobicContact CG1-CD2 4.35Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.4Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.13Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.92Å; Q54-F56 PolarHBondContact O-N 2.91Å; F56-D58 PolarHBondContact O-N 2.91Å; F56-D58 VanDerWaalsContact O-N 3.16Å; F56-K59 PolarHBondContact O-N 3.31Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 3.17Å
57K93.6Very high95.6Very high123 Ų12376 Ų7654%0.53539%0.39SS..THydrogen-bonded Turntrans-55.9-36.4-173.5-167.6176.3-178.4179.70113.5N53N53-K57 PolarHBondContact O-N 3.35Å
58D93.1Very high95.7Very high148 Ų14873.1 Ų73.179%0.79138%0.378SS*.THydrogen-bonded Turntrans-95.9-3.6-179.6-53.8-40.8000113.2F56F56-D58 PolarHBondContact O-N 2.91Å; F56-D58 VanDerWaalsContact O-N 3.16Å
59K94.3Very high95.8Very high67 Ų6772.4 Ų72.429%0.29137%0.372SS..THydrogen-bonded Turntrans-109.3-34.2-177.7-78.2-165.7170-1650113.5F56 L75 S76 D82F56-K59 PolarHBondContact O-N 3.31Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 PolarHBondContact O-N 2.9Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.81Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å
60A97.1Very high95.9Very high3 Ų369.1 Ų69.13%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-115.6133.2-170.300000111.5I40 L52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.87Å; L52-A60 WeakPolarHBondContact CD1-O 3.17Å; L52-A60 HydrophobicContact CD2-CB 4.18Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 3.17Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; A60-L75 HydrophobicContact CB-CD2 4.06Å
61T97.9Very high96Very high69 Ų6965.9 Ų65.942%0.42334%0.337SS..EExtended strand (participates in β ladder)trans-118.5126.5170.7-56.80000109.1T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 3.34Å
62L98.3Very high96.1Very high12 Ų1262 Ų626%0.06332%0.323CS..EExtended strand (participates in β ladder)trans-100.6135.2177.9-51.8-175000109.9W28 M42 I43 T50 L52 Y72 M73W28-L62 HydrophobicContact CG-CD2 4.1Å; M42-L62 WeakPolarHBondContact O-CD1 3.41Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.33Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; L52-L62 HydrophobicContact CD2-CD1 4.05Å; L52-L62 HydrophobicContact CD2-CG 4.02Å; L62-Y72 WeakPolarHBondContact CA-O 2.99Å; L62-M73 HydrophobicContact CD2-CB 3.79Å; L62-M73 HydrophobicContact CD2-CG 3.68Å
63T98Very high96.1Very high55 Ų5559.6 Ų59.634%0.33731%0.311SS..EExtended strand (participates in β ladder)trans-141.3159.7177.354.90000110.5T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.34Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 2.83Å
64V97.5Very high96.2Very high30 Ų3060.7 Ų60.718%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-130.8144.8176.6-73.20000110.6F21 I43 P45 A71F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CE1-CG1 4.38Å; F21-V64 HydrophobicContact CZ-CG1 4.09Å; I43-V64 HydrophobicContact CD1-CB 4.4Å; I43-V64 HydrophobicContact CD1-CG1 3.71Å; I43-V64 HydrophobicContact CD1-CG2 4.18Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.97Å; P45-V64 HydrophobicContact CB-CG1 4.1Å; P45-V64 HydrophobicContact CG-CG1 4.28Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
65D96.8Very high96.2Very high53 Ų5354.3 Ų54.328%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-117.5105164.9174.68.2000108.2S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 2.82Å; D65-S67 PolarHBondContact OD2-OG 3.3Å; D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 3.16Å; D65-S68 WeakPolarHBondContact OD2-CB 3.37Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 3.48Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å
66K94.6Very high96.3Very high101 Ų10149 Ų4944%0.43927%0.267SS..THydrogen-bonded Turntrans-68.2-31.3-178-54.8-173.9-162.4-172.70111.7P45 S46 S68 S69P45-K66 WeakPolarHBondContact O-CD 3.39Å; P45-K66 WeakPolarHBondContact O-CE 2.92Å; P45-K66 PolarHBondContact O-NZ 3.1Å; S46-K66 PolarHBondContact O-NZ 3.18Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 2.83Å; K66-S69 PolarHBondContact O-N 2.03Å
67S94.1Very high96.2Very high112 Ų11252.1 Ų52.178%0.78329%0.289SS*.THydrogen-bonded Turntrans-66-37.3-177.774.40000111.9D65D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 2.82Å; D65-S67 PolarHBondContact OD2-OG 3.3Å
68S96.3Very high96.2Very high36 Ų3646.3 Ų46.325%0.25226%0.264SS..THydrogen-bonded Turntrans-97.82.4176.7670000113.6D65 K66 T70D65-S68 WeakPolarHBondContact CB-OG 3.39Å; D65-S68 PolarHBondContact OD1-N 3.16Å; D65-S68 WeakPolarHBondContact OD2-CB 3.37Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; K66-S68 VanDerWaalsContact C-N 3.32Å; K66-S68 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.13Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.8Å
69S96.4Very high96.2Very high42 Ų4242 Ų4229%0.29424%0.243SC..THydrogen-bonded Turntrans49.844.6-174.2-62.60000112.6A16 F21 D65 K66A16-S69 WeakPolarHBondContact CB-O 3.44Å; A16-S69 PolarHBondContact N-O 2.93Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.9Å; K66-S69 PolarHBondContact O-N 2.03Å
70T97.6Very high96.1Very high7 Ų742.7 Ų42.74%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-123.7127.4-173.9-560000110.9C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 2.99Å; K15-T70 HydrophobicContact CB-CG2 4.45Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-N 2.96Å; S68-T70 PolarHBondContact O-OG1 3.13Å; S68-T70 WeakPolarHBondContact OG-CB 3.32Å; S68-T70 PolarHBondContact OG-OG1 2.8Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.54Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 HydrophobicContact CG2-CG 4.48Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.02Å
71A97.5Very high95.8Very high0 Ų049 Ų490%029%0.286CS..EExtended strand (participates in β ladder)trans-92.2149.9166.800000110S13 C14 F21 M26 W28 V64S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 3.37Å; C14-A71 PolarHBondContact N-O 2.83Å; C14-A71 PolarHBondContact O-N 2.91Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.97Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.63Å; W28-A71 HydrophobicContact CZ2-CB 4.22Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
72Y97.9Very high95.7Very high47 Ų4746 Ų4618%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-133.9143.2178-55.2-86.9000111.5K11 I12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.15Å; K11-Y72 HydrophobicContact CD-CG 4.42Å; K11-Y72 HydrophobicContact CG-CD1 4.13Å; K11-Y72 HydrophobicContact CG-CG 4.49Å; I12-Y72 CarbonylContact O-C 3.42Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.25Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 2.99Å; T63-Y72 PolarHBondContact N-O 2.83Å; T63-Y72 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.11Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.54Å; T70-Y72 HydrophobicContact CG2-CE2 3.75Å; T70-Y72 HydrophobicContact CG2-CG 4.48Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.02Å
73M97.9Very high95.5Very high0 Ų047 Ų470%028%0.276CS..EExtended strand (participates in β ladder)trans-116.4121.3165.3179.5-172.567.700108.5I12 W28 I40 A60 T61 L62 L75 Y86I12-M73 HydrophobicContact CB-CE 4.39Å; I12-M73 HydrophobicContact CD1-CE 3.65Å; I12-M73 HydrophobicContact CG1-CE 4.23Å; I12-M73 PolarHBondContact N-O 2.92Å; I12-M73 PolarHBondContact O-N 2.81Å; W28-M73 HydrophobicContact CB-SD 4.13Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.28Å; W28-M73 HydrophobicContact CE3-CB 3.77Å; W28-M73 HydrophobicContact CE3-CE 4.15Å; W28-M73 HydrophobicContact CE3-SD 4.2Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.28Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; I40-M73 HydrophobicContact CD1-CE 4.17Å; I40-M73 HydrophobicContact CD1-SD 3.51Å; I40-M73 VanDerWaalsContact CD1-SD 3.51Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.31Å; L62-M73 HydrophobicContact CD2-CB 3.79Å; L62-M73 HydrophobicContact CD2-CG 3.68Å; M73-L75 HydrophobicContact CE-CD1 3.88Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 3.9Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.45Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 3.77Å; M73-Y86 HydrophobicContact CE-CG 4.11Å; M73-Y86 HydrophobicContact SD-CD1 4.45Å
74Q97.5Very high95.5Very high71 Ų7144.7 Ų44.733%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-97128.2169.4-179.1173.5-700109.1V10 A60 T61V10-Q74 CarbonylContact O-C 3.54Å; V10-Q74 VanDerWaalsContact O-CA 3.3Å; V10-Q74 WeakPolarHBondContact O-CA 3.11Å; A60-Q74 CarbonylContact C-O 3.5Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; T61-Q74 PolarHBondContact N-O 3.17Å; T61-Q74 PolarHBondContact O-N 3.34Å
75L96.3Very high95.5Very high3 Ų344.9 Ų44.92%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-103.2123.9170-66.8168.1000109S9 V10 I12 K59 A60 M73 Y86 L108S9-L75 WeakPolarHBondContact CA-O 3.47Å; V10-L75 HydrophobicContact CG1-CB 3.82Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.87Å; V10-L75 PolarHBondContact O-N 2.95Å; I12-L75 HydrophobicContact CD1-CD1 4.47Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 4.06Å; M73-L75 HydrophobicContact CE-CD1 3.88Å; M73-L75 HydrophobicContact CE-CD2 4.22Å; M73-L75 HydrophobicContact CE-CG 3.9Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-L75 HydrophobicContact SD-CG 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.74Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å; L75-L108 HydrophobicContact CD1-CD2 3.82Å
76S94.9Very high95.6Very high43 Ų4342.5 Ų42.530%0.30125%0.25SC..SBendtrans-91130.4178.4-62.60000110.1K59K59-S76 PolarHBondContact O-N 2.9Å
77S92.8Very high95.7Very high72 Ų7239.8 Ų39.850%0.50324%0.237SC..SBendtrans45.853176.2-56.70000114.7
78P93.4Very high95.8Very high1 Ų135.2 Ų35.21%0.00621%0.205CC..  trans-61.8146.3-179.231.8-36.2000110.6V4 P6 G7 A8 V10 D82 V110V4-P78 HydrophobicContact CG2-CG 4.16Å; P6-P78 WeakPolarHBondContact CA-O 3.24Å; G7-P78 PolarHBondContact N-O 2.91Å; G7-P78 VanDerWaalsContact N-O 3.16Å; A8-P78 WeakPolarHBondContact O-CD 3.47Å; A8-P78 VanDerWaalsContact O-CG 3.3Å; A8-P78 WeakPolarHBondContact O-CG 3.37Å; V10-P78 HydrophobicContact CG1-CG 4.29Å; P78-D82 HydrophobicContact CB-CB 4.03Å; P78-V110 HydrophobicContact CB-CG2 4.01Å; P78-V110 HydrophobicContact CG-CG2 4.38Å
79T93.5Very high95.7Very high57 Ų5733.6 Ų33.635%0.3519%0.194SC..  trans-109.7175.3176.266.50000110.8E81 D82 V110T79-E81 PolarHBondContact O-N 2.83Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 3.06Å; T79-D82 WeakPolarHBondContact O-CA 3.41Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-V110 VanDerWaalsContact O-CB 3.3Å; T79-V110 WeakPolarHBondContact O-CB 3.33Å; T79-V110 WeakPolarHBondContact O-CG2 3.01Å
80S92.3Very high95.4Very high83 Ų8333.2 Ų33.258%0.5819%0.186SC*.G310 helixtrans-54.2-33.2176510000113D82 S83S80-D82 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-CB 3.25Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 3.3Å
81E91.1Very high94.9Very high134 Ų13434.2 Ų34.263%0.62619%0.191SC*.G310 helixtrans-67.5-14.1175.9-59.2-179.2172.600114.3K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 3.2Å; R32-E81 PolarHBondContact NE-O 2.92Å; R32-E81 PolarHBondContact NH2-O 3.43Å; T79-E81 PolarHBondContact O-N 2.83Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82D93.9Very high94.1Very high6 Ų637.4 Ų37.43%0.03221%0.208CC..G310 helixtrans-86.9-3.5173.2-65.1-46.7000113K30 K59 P78 T79 S80 A84 Y86K30-D82 IonicContact NZ-OD1 3.93Å; K30-D82 PolarHBondContact NZ-OD1 2.98Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.81Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å; P78-D82 HydrophobicContact CB-CB 4.03Å; T79-D82 PolarHBondContact N-OD2 3.06Å; T79-D82 WeakPolarHBondContact O-CA 3.41Å; T79-D82 WeakPolarHBondContact O-CB 3.32Å; T79-D82 PolarHBondContact O-N 2.88Å; S80-D82 PolarHBondContact O-N 2.85Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.81Å
83S95.7Very high92.7Very high35 Ų3537.5 Ų37.525%0.24522%0.215CC..  trans-64.9118.1170.2-54.80000110.9S80 E81 L108 V110S80-S83 VanDerWaalsContact O-CB 3.25Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 3.3Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-L108 CarbonylContact C-O 3.6Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; S83-V110 PolarHBondContact OG-N 3.18Å
84A97Very high91Very high5 Ų541 Ų414%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-169.5173.7-171.500000111K30 Q31 R32 D82 Y86 L108K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 HydrophobicContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; R32-A84 HydrophobicContact CG-CB 4.25Å; D82-A84 PolarHBondContact O-N 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-L108 PolarHBondContact N-O 2.65Å; A84-L108 PolarHBondContact O-N 3.26Å
85V97.9Very high89.3Confident34 Ų3446 Ų4621%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-92.9129.5161.3-169.40000108.9Q31 Y87Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3.06Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; V85-Y87 HydrophobicContact CG1-CD1 4.49Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.84Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å
86Y97.8Very high87.6Confident3 Ų353.9 Ų53.91%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-107.7121.6178.9-72-92.8000110I12 V29 K30 I40 M73 L75 D82 A84 G105 T106 L108I12-Y86 HydrophobicContact CD1-CD1 4.21Å; I12-Y86 HydrophobicContact CD1-CD2 3.85Å; I12-Y86 HydrophobicContact CD1-CG 3.64Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.26Å; K30-Y86 HydrophobicContact CB-CE1 4.02Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.42Å; K30-Y86 HydrophobicContact CG-CE1 3.9Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.69Å; M73-Y86 HydrophobicContact CE-CD1 3.4Å; M73-Y86 HydrophobicContact CE-CE1 3.77Å; M73-Y86 HydrophobicContact CE-CG 4.11Å; M73-Y86 HydrophobicContact SD-CD1 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.74Å; L75-Y86 HydrophobicContact CD1-CE2 4.28Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.81Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G105 CarbonylContact O-C 3.4Å; Y86-G105 VanDerWaalsContact O-CA 3.26Å; Y86-G105 WeakPolarHBondContact O-CA 3.48Å; Y86-T106 PolarHBondContact N-O 2.82Å; Y86-T106 PolarHBondContact O-N 2.6Å; Y86-L108 HydrophobicContact CD2-CB 3.79Å; Y86-L108 HydrophobicContact CD2-CD2 4.37Å; Y86-L108 HydrophobicContact CE2-CB 3.7Å; Y86-L108 HydrophobicContact CE2-CD2 3.7Å; Y86-L108 HydrophobicContact CE2-CG 4.32Å
87Y97.3Very high85.8Confident45 Ų4559.3 Ų59.318%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-108.2147.4-179.8-58.6-86.3000110.5W28 V29 Q31 V85 W102 G105W28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 3.34Å; V29-Y87 PolarHBondContact O-N 2.89Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.79Å; Q31-Y87 PolarHBondContact OE1-OH 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.75Å; V85-Y87 HydrophobicContact CG1-CD1 4.49Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.84Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.16Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CG-CE3 4.08Å; Y87-W102 HydrophobicContact CG-CZ3 4.28Å; Y87-G105 VanDerWaalsContact CD1-CA 3.44Å
88C95.8Very high84.4Confident16 Ų1663.9 Ų63.911%0.10833%0.327CS..EExtended strand (participates in β ladder)trans-105.1145.3159.161.20000109.3C14 M26 H27 W28 W102 G103C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.27Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.18Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.7Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.31Å; W28-C88 HydrophobicContact CE3-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å; C88-W102 CarbonylContact O-C 3.39Å; C88-W102 WeakPolarHBondContact O-CA 3.36Å; C88-G103 PolarHBondContact O-N 3.23Å
89A94.5Very high83.5Confident2 Ų267.5 Ų67.52%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-138153.5173.700000109.5M26 H27 F99 Y101 W102M26-A89 VanDerWaalsContact SD-O 3.37Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.64Å; A89-F99 HydrophobicContact CB-CB 4.03Å; A89-F99 HydrophobicContact CB-CD1 4.04Å; A89-F99 HydrophobicContact CB-CG 4.06Å; A89-Y101 VanDerWaalsContact CA-O 3.23Å; A89-Y101 WeakPolarHBondContact CA-O 2.87Å; A89-W102 HydrophobicContact CB-CD2 3.73Å; A89-W102 HydrophobicContact CB-CE3 4.06Å; A89-W102 HydrophobicContact CB-CG 4.09Å; A89-W102 HydrophobicContact CB-CH2 4.49Å; A89-W102 HydrophobicContact CB-CZ2 4.22Å; A89-W102 HydrophobicContact CB-CZ3 4.42Å
90R90.8Very high82.6Confident33 Ų3369.2 Ų69.213%0.12535%0.35CS..EExtended strand (participates in β ladder)trans-114.2148.8178.373.8-177.9175.1169.9-3.5112.2Y24 W25 M26 Y101Y24-R90 HydrophobicContact CD1-CB 4.3Å; Y24-R90 HydrophobicContact CD1-CG 4.07Å; W25-R90 VanDerWaalsContact O-CA 3.27Å; W25-R90 WeakPolarHBondContact O-CA 3.32Å; M26-R90 HydrophobicContact CE-CB 4.45Å; R90-Y101 HydrophobicContact CG-CD2 4.46Å; R90-Y101 PolarHBondContact N-O 2.98Å; R90-Y101 VanDerWaalsContact NH2-CG 3.28Å
91D87.6Confident82.3Confident28 Ų2872 Ų7215%0.1535%0.348CS..EExtended strand (participates in β ladder)trans-133.7148.8171.5-175.711.7000109Y24 W25Y24-D91 CarbonylContact C-O 3.58Å; Y24-D91 WeakPolarHBondContact CA-O 3.45Å; Y24-D91 VanDerWaalsContact CB-O 3.31Å; Y24-D91 WeakPolarHBondContact CB-O 3.42Å; W25-D91 PolarHBondContact N-O 3.37Å; W25-D91 PolarHBondContact O-N 2.78Å; W25-D91 VanDerWaalsContact O-N 3.13Å
92I80.5Confident82.4Confident68 Ų6870.3 Ų70.335%0.34934%0.337SS..EExtended strand (participates in β ladder)trans-73.1128.8-177.4-65.3169.4000109.7Y24 G94 Y95Y24-I92 HydrophobicContact CD1-CB 4.48Å; Y24-I92 HydrophobicContact CD1-CG1 3.87Å; Y24-I92 HydrophobicContact CE1-CB 4.43Å; Y24-I92 HydrophobicContact CE1-CD1 4.41Å; Y24-I92 HydrophobicContact CE1-CG1 3.42Å; Y24-I92 VanDerWaalsContact CE1-CG1 3.42Å; I92-G94 PolarHBondContact O-N 3.01Å; I92-G94 VanDerWaalsContact O-N 3.17Å; I92-Y95 HydrophobicContact CG2-CD2 4.03Å; I92-Y95 PolarHBondContact O-N 3.25Å
93S68.5Low82.4Confident48 Ų4871.3 Ų71.334%0.33635%0.348SS..THydrogen-bonded Turntrans-64.7118.8175.1-163.40000110.3N23 W25 D44N23-S93 WeakPolarHBondContact O-CB 3.5Å; N23-S93 PolarHBondContact O-N 2.87Å; W25-S93 PolarHBondContact NE1-OG 2.82Å; D44-S93 PolarHBondContact OD2-OG 3.16Å
94G62.8Low82.3Confident73 Ų7378.7 Ų78.775%0.75338%0.379SS*.THydrogen-bonded Turntrans98.8-6.5178.400000116.7I92I92-G94 PolarHBondContact O-N 3.01Å; I92-G94 VanDerWaalsContact O-N 3.17Å
95Y61.7Low82.3Confident177 Ų17779.8 Ų79.869%0.69439%0.391SS*.  trans-129.9108.9174.8-68.4-84.6000109.6I92 Y97I92-Y95 HydrophobicContact CG2-CD2 4.03Å; I92-Y95 PolarHBondContact O-N 3.25Å; Y95-Y97 VanDerWaalsContact C-N 3.29Å; Y95-Y97 PolarHBondContact O-N 3.3Å
96Q59.9Low82.2Confident168 Ų16879.8 Ų79.879%0.78539%0.391SS*.  trans-74.663-177.4-77.1-169.2-5800113.2
97Y57.7Low82.2Confident157 Ų15782.7 Ų82.762%0.61641%0.409SS*.  trans-145.598.8178.2-66-70.9000112.7Y95Y95-Y97 VanDerWaalsContact C-N 3.29Å; Y95-Y97 PolarHBondContact O-N 3.3Å
98Y63.3Low82.1Confident169 Ų16980.6 Ų80.666%0.66340%0.401SS*.  trans81.8137.6157.9-48.7-74.8000118.6D100Y98-D100 WeakPolarHBondContact CB-OD1 3.48Å; Y98-D100 PolarHBondContact O-N 3.13Å
99F74.1Confident82.1Confident76 Ų7682.9 Ų82.933%0.33341%0.414SS..  trans-72.772.6166.6-63.7-42.9000109.9H27 A89 Y101 W102H27-F99 HydrophobicContact CB-CD1 4.39Å; H27-F99 HydrophobicContact CB-CE1 3.76Å; H27-F99 HydrophobicContact CB-CZ 4.17Å; H27-F99 AromaticContact CD2-CE1 3.5Å; H27-F99 VanDerWaalsContact CD2-CE1 3.5Å; H27-F99 WeakPolarHBondContact CD2-CE1 3.42Å; H27-F99 AromaticContact CE1-CE1 3.59Å; H27-F99 AromaticContact CG-CE1 3.23Å; H27-F99 AromaticContact CG-CZ 3.84Å; H27-F99 AromaticContact ND1-CE1 3.29Å; H27-F99 VanDerWaalsContact ND1-CE1 3.29Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.18Å; H27-F99 AromaticContact ND1-CZ 3.57Å; H27-F99 AromaticContact NE2-CE1 3.73Å; A89-F99 HydrophobicContact CB-CB 4.03Å; A89-F99 HydrophobicContact CB-CD1 4.04Å; A89-F99 HydrophobicContact CB-CG 4.06Å; F99-Y101 PolarHBondContact O-N 3.44Å; F99-W102 HydrophobicContact CB-CZ2 3.8Å; F99-W102 VanDerWaalsContact CB-NE1 3.31Å; F99-W102 HydrophobicContact CD2-CH2 4.28Å; F99-W102 AromaticContact CD2-CZ2 3.59Å; F99-W102 HydrophobicContact CD2-CZ2 3.59Å; F99-W102 HydrophobicContact CE2-CZ2 4.49Å; F99-W102 AromaticContact CG-CZ2 3.96Å; F99-W102 HydrophobicContact CG-CZ2 3.96Å; F99-W102 VanDerWaalsContact O-CD1 3.31Å; F99-W102 PolarHBondContact O-NE1 3.06Å
100D74.1Confident82Confident93 Ų9383 Ų8350%0.49742%0.415SS..  trans-64.2-26-172-71.1-28.7000112.9Y98Y98-D100 WeakPolarHBondContact CB-OD1 3.48Å; Y98-D100 PolarHBondContact O-N 3.13Å
101Y87Confident82Confident141 Ų14182.7 Ų82.755%0.55342%0.418SS*.EExtended strand (participates in β ladder)trans-137.9131-178-59.4-94.3000111.7A89 R90 F99A89-Y101 VanDerWaalsContact CA-O 3.23Å; A89-Y101 WeakPolarHBondContact CA-O 2.87Å; R90-Y101 HydrophobicContact CG-CD2 4.46Å; R90-Y101 PolarHBondContact N-O 2.98Å; R90-Y101 VanDerWaalsContact NH2-CG 3.28Å; F99-Y101 PolarHBondContact O-N 3.44Å
102W93.3Very high81.7Confident100 Ų10086.3 Ų86.338%0.37945%0.445SS..EExtended strand (participates in β ladder)trans-117.1143.2178.5-68.169.3000110.4V29 L37 Y87 C88 A89 F99V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.81Å; V29-W102 HydrophobicContact CG1-CH2 4.06Å; V29-W102 HydrophobicContact CG1-CZ3 4.01Å; V29-W102 HydrophobicContact CG2-CH2 3.76Å; V29-W102 HydrophobicContact CG2-CZ3 3.86Å; L37-W102 HydrophobicContact CD1-CH2 3.9Å; L37-W102 HydrophobicContact CD1-CZ2 4.49Å; L37-W102 HydrophobicContact CD1-CZ3 4.46Å; Y87-W102 HydrophobicContact CD1-CE3 4.46Å; Y87-W102 HydrophobicContact CG-CE3 4.08Å; Y87-W102 HydrophobicContact CG-CZ3 4.28Å; C88-W102 CarbonylContact O-C 3.39Å; C88-W102 WeakPolarHBondContact O-CA 3.36Å; A89-W102 HydrophobicContact CB-CD2 3.73Å; A89-W102 HydrophobicContact CB-CE3 4.06Å; A89-W102 HydrophobicContact CB-CG 4.09Å; A89-W102 HydrophobicContact CB-CH2 4.49Å; A89-W102 HydrophobicContact CB-CZ2 4.22Å; A89-W102 HydrophobicContact CB-CZ3 4.42Å; F99-W102 HydrophobicContact CB-CZ2 3.8Å; F99-W102 VanDerWaalsContact CB-NE1 3.31Å; F99-W102 HydrophobicContact CD2-CH2 4.28Å; F99-W102 AromaticContact CD2-CZ2 3.59Å; F99-W102 HydrophobicContact CD2-CZ2 3.59Å; F99-W102 HydrophobicContact CE2-CZ2 4.49Å; F99-W102 AromaticContact CG-CZ2 3.96Å; F99-W102 HydrophobicContact CG-CZ2 3.96Å; F99-W102 VanDerWaalsContact O-CD1 3.31Å; F99-W102 PolarHBondContact O-NE1 3.06Å
103G93.5Very high81.3Confident27 Ų2790.1 Ų90.128%0.27846%0.461SS..  trans-69.1162.9165.200000111.3C88 G105C88-G103 PolarHBondContact O-N 3.23Å; G103-G105 PolarHBondContact O-N 3.46Å
104Q94.4Very high80.8Confident190 Ų19092.4 Ų92.489%0.88848%0.477SS*.  trans-63.3-14.4179.4-64.3-62.2-40.700114
105G95.3Very high80.4Confident28 Ų2896 Ų9629%0.28950%0.5SS..  trans85.9149.3-176.700000112.8Y86 Y87 G103Y86-G105 CarbonylContact O-C 3.4Å; Y86-G105 VanDerWaalsContact O-CA 3.26Å; Y86-G105 WeakPolarHBondContact O-CA 3.48Å; Y87-G105 VanDerWaalsContact CD1-CA 3.44Å; G103-G105 PolarHBondContact O-N 3.46Å
106T96.8Very high81.3Confident34 Ų3491.9 Ų91.921%0.20949%0.49CS..EExtended strand (participates in β ladder)trans-116.9114.8172.8-62.40000108.8Q2 I12 Y86 L108Q2-T106 HydrophobicContact CG-CG2 4.12Å; I12-T106 HydrophobicContact CG2-CG2 4.33Å; Y86-T106 PolarHBondContact N-O 2.82Å; Y86-T106 PolarHBondContact O-N 2.6Å; T106-L108 PolarHBondContact O-N 3.48Å
107T96.9Very high82.5Confident63 Ų6387.9 Ų87.939%0.38747%0.474SS..EExtended strand (participates in β ladder)trans-68.6120.4169.7-47.20000109.5P1 Q2P1-T107 CarbonylContact C-O 3.59Å; P1-T107 WeakPolarHBondContact CA-O 3.31Å; Q2-T107 PolarHBondContact N-O 3.45Å
108L95.9Very high83.9Confident1 Ų184.1 Ų84.11%0.00547%0.466CS..EExtended strand (participates in β ladder)trans-105.8127.1169.2-179.966.8000108.3Q2 V4 V10 L75 S83 A84 Y86 T106 V110Q2-L108 HydrophobicContact CB-CD1 3.94Å; Q2-L108 CarbonylContact O-C 3.59Å; Q2-L108 WeakPolarHBondContact O-CA 3.1Å; V4-L108 HydrophobicContact CG1-CD1 4.12Å; V4-L108 HydrophobicContact CG2-CD1 3.76Å; V10-L108 HydrophobicContact CG1-CD1 4.15Å; V10-L108 HydrophobicContact CG1-CD2 3.95Å; V10-L108 HydrophobicContact CG2-CD1 3.99Å; L75-L108 HydrophobicContact CD1-CD2 3.82Å; S83-L108 CarbonylContact C-O 3.6Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; A84-L108 PolarHBondContact N-O 2.65Å; A84-L108 PolarHBondContact O-N 3.26Å; Y86-L108 HydrophobicContact CD2-CB 3.79Å; Y86-L108 HydrophobicContact CD2-CD2 4.37Å; Y86-L108 HydrophobicContact CE2-CB 3.7Å; Y86-L108 HydrophobicContact CE2-CD2 3.7Å; Y86-L108 HydrophobicContact CE2-CG 4.32Å; T106-L108 PolarHBondContact O-N 3.48Å; L108-V110 HydrophobicContact CD2-CG2 4.27Å; L108-V110 HydrophobicContact CG-CG2 4.18Å
109T95.7Very high85.1Confident64 Ų6479.1 Ų79.139%0.39346%0.455SS..EExtended strand (participates in β ladder)trans-116127.5171.9-55.60000108.4Q2 L3 V4Q2-T109 PolarHBondContact O-N 3.44Å; L3-T109 WeakPolarHBondContact CA-O 3.33Å; L3-T109 HydrophobicContact CD1-CG2 3.85Å; V4-T109 PolarHBondContact N-O 3.46Å
110V93.1Very high85.7Confident6 Ų679.3 Ų79.34%0.03646%0.462CS..EExtended strand (participates in β ladder)trans-112.3105.8178.2-172.20000108.2V4 P6 P78 T79 S83 L108V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG1 4.39Å; V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 WeakPolarHBondContact O-CA 3.49Å; P6-V110 HydrophobicContact CB-CG1 4.31Å; P6-V110 HydrophobicContact CG-CG1 4.05Å; P78-V110 HydrophobicContact CB-CG2 4.01Å; P78-V110 HydrophobicContact CG-CG2 4.38Å; T79-V110 VanDerWaalsContact O-CB 3.3Å; T79-V110 WeakPolarHBondContact O-CB 3.33Å; T79-V110 WeakPolarHBondContact O-CG2 3.01Å; S83-V110 PolarHBondContact OG-N 3.18Å; L108-V110 HydrophobicContact CD2-CG2 4.27Å; L108-V110 HydrophobicContact CG-CG2 4.18Å
111S90.5Very high86.5Confident26 Ų2678.3 Ų78.318%0.18246%0.46CS..  trans-137.6144.9-177.5-1730000111.1V4 P6 E113V4-S111 PolarHBondContact O-N 2.62Å; V4-S111 VanDerWaalsContact O-N 3.11Å; P6-S111 WeakPolarHBondContact CD-O 3.43Å; S111-E113 WeakPolarHBondContact OG-CB 3.4Å; S111-E113 PolarHBondContact OG-N 2.99Å; S111-E113 VanDerWaalsContact OG-N 3.09Å
112S81.6Confident86.5Confident103 Ų10373.9 Ų73.972%0.7245%0.453SS*.SBendtrans-74.8-12.3168.451.60000112.5
113E70.4Confident86Confident149 Ų14971.8 Ų71.870%0.69646%0.459SS*.SBendtrans-70.6139.6174.8-63.8172.9162.400110S111S111-E113 WeakPolarHBondContact OG-CB 3.4Å; S111-E113 PolarHBondContact OG-N 2.99Å; S111-E113 VanDerWaalsContact OG-N 3.09Å
114S59.1Low85.3Confident95 Ų9575.6 Ų75.666%0.66447%0.474SS*.  trans-64.2142.4177.1-49.70000110.7
115A54.5Low84.5Confident148 Ų14865.2 Ų65.2100%1.22344%0.437SS*.  trans-63.10161.800000111.1L3L3-A115 HydrophobicContact CD2-CB 3.72Å

Retrieved 115 of 115 residues in 24.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).