A0A096LW28_POEFO Loading...

Immunoglobulin heavy variable 4-1

AlphaFold DB , UniProt , Accession A0A096LW28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 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
1T52.8Low75.1Confident132 Ų13263.8 Ų63.881%0.8139%0.394SS*.  0130.7023.30000108.3S105T1-S105 CarbonylContact C-O 3.52Å; T1-S105 WeakPolarHBondContact CA-O 3.42Å
2V55.3Low76.5Confident26 Ų2658.8 Ų58.816%0.15836%0.363CS..EExtended strand (participates in β ladder)trans-111.5143177.9179.60000107.9Q6 L8 M74 S105 V106 S107V2-Q6 HydrophobicContact CG1-CB 3.78Å; V2-L8 HydrophobicContact CG2-CD1 4.31Å; V2-M74 HydrophobicContact CB-SD 3.88Å; V2-M74 HydrophobicContact CG1-SD 3.62Å; V2-M74 HydrophobicContact CG2-SD 4.34Å; V2-S105 PolarHBondContact N-O 3.47Å; V2-S105 VanDerWaalsContact N-O 3.07Å; V2-V106 VanDerWaalsContact O-CA 3.27Å; V2-V106 WeakPolarHBondContact O-CA 3.27Å; V2-V106 VanDerWaalsContact O-CG1 3.24Å; V2-V106 WeakPolarHBondContact O-CG1 3.4Å; V2-S107 PolarHBondContact O-N 3.11Å
3Q61.2Low77.8Confident107 Ų10764.9 Ų64.950%0.539%0.385SS..EExtended strand (participates in β ladder)trans-83.9151.4177.6-67.6-167.2-51.600111.8G5 Q6Q3-G5 PolarHBondContact O-N 3.27Å; Q3-Q6 HydrophobicContact CB-CG 4.25Å; Q3-Q6 VanDerWaalsContact N-OE1 3.12Å; Q3-Q6 WeakPolarHBondContact O-CB 3.42Å; Q3-Q6 PolarHBondContact O-N 3.06Å
4S62.4Low78.7Confident83 Ų8361.8 Ų61.858%0.5837%0.366SS*.THydrogen-bonded Turntrans-49.1134.9172.2173.30000112Q6S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact O-N 2.75Å
5G68.3Low79.4Confident50 Ų5065.5 Ų65.552%0.51540%0.396SS..THydrogen-bonded Turntrans83-6.7179.700000115.8Q3 M74Q3-G5 PolarHBondContact O-N 3.27Å; G5-M74 PolarHBondContact N-O 2.81Å
6Q78.7Confident80.1Confident92 Ų9263 Ų6343%0.4338%0.378SS..PPolyproline II helixtrans-78.2158.7174.1-65-175.8-27.300112.2V2 Q3 S4 M74V2-Q6 HydrophobicContact CG1-CB 3.78Å; Q3-Q6 HydrophobicContact CB-CG 4.25Å; Q3-Q6 VanDerWaalsContact N-OE1 3.12Å; Q3-Q6 WeakPolarHBondContact O-CB 3.42Å; Q3-Q6 PolarHBondContact O-N 3.06Å; S4-Q6 VanDerWaalsContact C-N 3.31Å; S4-Q6 PolarHBondContact O-N 2.75Å; Q6-M74 PolarHBondContact O-N 2.9Å
7T86.1Confident80.8Confident64 Ų6461.8 Ų61.839%0.39337%0.374SS..PPolyproline II helixtrans-86.8127.2173-61.60000109.4R70 L71T7-R70 HydrophobicContact CG2-CG 3.54Å; T7-L71 CarbonylContact C-O 3.46Å; T7-L71 WeakPolarHBondContact CA-O 3.36Å
8L86.4Confident81.5Confident8 Ų858.5 Ų58.54%0.04235%0.353CS..EExtended strand (participates in β ladder)trans-92130.4170178.162.7000110V2 I10 R70 L71 M74 Y82 F104V2-L8 HydrophobicContact CG2-CD1 4.31Å; L8-I10 HydrophobicContact CD1-CG1 4.06Å; L8-I10 HydrophobicContact CD2-CD1 3.67Å; L8-I10 HydrophobicContact CD2-CG1 3.87Å; L8-I10 HydrophobicContact CG-CD1 4.08Å; L8-I10 HydrophobicContact CG-CG1 3.68Å; L8-R70 CarbonylContact O-C 3.57Å; L8-R70 WeakPolarHBondContact O-CA 3.37Å; L8-L71 HydrophobicContact CB-CB 4.43Å; L8-L71 PolarHBondContact N-O 2.81Å; L8-L71 PolarHBondContact O-N 3.48Å; L8-M74 HydrophobicContact CB-CE 4.35Å; L8-M74 HydrophobicContact CB-CG 3.86Å; L8-M74 HydrophobicContact CB-SD 3.54Å; L8-M74 VanDerWaalsContact CB-SD 3.54Å; L8-M74 HydrophobicContact CD2-CE 3.63Å; L8-M74 HydrophobicContact CD2-SD 3.89Å; L8-M74 HydrophobicContact CG-SD 4.18Å; L8-Y82 HydrophobicContact CD2-CE2 4.13Å; L8-F104 HydrophobicContact CD1-CD1 4.09Å; L8-F104 HydrophobicContact CD1-CE1 4.3Å; L8-F104 HydrophobicContact CD1-CG 4.3Å
9T91.1Very high82.2Confident81 Ų8159.1 Ų59.150%0.49736%0.357SS..EExtended strand (participates in β ladder)trans-120.5120.7172-57.60000108.5T68 L69T9-T68 HydrophobicContact CG2-CG2 3.54Å; T9-L69 CarbonylContact C-O 3.57Å; T9-L69 WeakPolarHBondContact CA-O 3.49Å
10I91Very high82.7Confident3 Ų359.9 Ų59.92%0.01537%0.365CS..EExtended strand (participates in β ladder)trans-120.3124.7-179.7-42.6179.6000108.6L8 W25 T68 L69 Y82 M102 F104L8-I10 HydrophobicContact CD1-CG1 4.06Å; L8-I10 HydrophobicContact CD2-CD1 3.67Å; L8-I10 HydrophobicContact CD2-CG1 3.87Å; L8-I10 HydrophobicContact CG-CD1 4.08Å; L8-I10 HydrophobicContact CG-CG1 3.68Å; I10-W25 HydrophobicContact CB-CH2 3.8Å; I10-W25 HydrophobicContact CB-CZ3 4.11Å; I10-W25 HydrophobicContact CD1-CZ3 4.49Å; I10-W25 HydrophobicContact CG2-CH2 3.64Å; I10-W25 HydrophobicContact CG2-CZ3 3.88Å; I10-T68 CarbonylContact O-C 3.56Å; I10-T68 VanDerWaalsContact O-CA 3.26Å; I10-T68 WeakPolarHBondContact O-CA 3.31Å; I10-L69 HydrophobicContact CD1-CD2 4.29Å; I10-L69 PolarHBondContact N-O 2.82Å; I10-L69 PolarHBondContact O-N 3.27Å; I10-Y82 HydrophobicContact CD1-CD1 3.57Å; I10-Y82 HydrophobicContact CD1-CD2 3.73Å; I10-Y82 HydrophobicContact CD1-CE1 4.06Å; I10-Y82 HydrophobicContact CD1-CE2 4.22Å; I10-Y82 HydrophobicContact CD1-CG 3.38Å; I10-M102 HydrophobicContact CG2-CB 4.34Å; I10-M102 HydrophobicContact CG2-CE 3.47Å; I10-M102 VanDerWaalsContact CG2-CE 3.47Å; I10-M102 HydrophobicContact CG2-CG 4.5Å; I10-M102 HydrophobicContact CG2-SD 3.33Å; I10-M102 WeakPolarHBondContact CG2-SD 3.39Å; I10-F104 HydrophobicContact CB-CE2 4.39Å; I10-F104 HydrophobicContact CD1-CD2 3.95Å; I10-F104 HydrophobicContact CD1-CE2 3.85Å; I10-F104 HydrophobicContact CG1-CD2 4.37Å; I10-F104 HydrophobicContact CG1-CE2 3.89Å; I10-F104 HydrophobicContact CG1-CZ 4.39Å; I10-F104 HydrophobicContact CG2-CE2 3.7Å; I10-F104 HydrophobicContact CG2-CZ 4.18Å
11S93.2Very high83.1Confident56 Ų5662 Ų6239%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-108.2133.9176-59.70000110.4T68S11-T68 PolarHBondContact OG-OG1 2.8Å
12C92.1Very high84.9Confident3 Ų355.8 Ų55.82%0.0233%0.33CS..EExtended strand (participates in β ladder)trans-117.5112.3173.11700000109.6V14 W25 M66 V67 C84 M102C12-V14 VanDerWaalsContact SG-CG1 3.53Å; C12-W25 HydrophobicContact CB-CH2 3.99Å; C12-W25 HydrophobicContact CB-CZ2 4.05Å; C12-M66 CarbonylContact O-C 3.58Å; C12-M66 WeakPolarHBondContact O-CA 3.26Å; C12-V67 PolarHBondContact N-O 2.81Å; C12-V67 PolarHBondContact O-N 2Å; C12-C84 HydrophobicContact CB-CB 3.42Å; C12-C84 VanDerWaalsContact CB-CB 3.42Å; C12-C84 WeakPolarHBondContact CB-SG 3.47Å; C12-C84 WeakPolarHBondContact SG-CB 3.35Å; C12-C84 CovalentContact SG-SG 2Å; C12-C84 PolarHBondContact SG-SG 2.84Å; C12-M102 HydrophobicContact CB-CE 3.95Å
13Q93.4Very high86.7Confident139 Ų13954.6 Ų54.665%0.6532%0.323SS*.EExtended strand (participates in β ladder)trans-84128.8169.9-170.2172.515.700109.2
14V89.5Confident88.3Confident21 Ų2150.5 Ų50.513%0.12730%0.304CS..  trans-116.7152.7-177.1-63.80000111.4C12 Y16 V18 N65C12-V14 VanDerWaalsContact SG-CG1 3.53Å; V14-Y16 VanDerWaalsContact C-N 3.31Å; V14-Y16 HydrophobicContact CB-CD1 3.75Å; V14-Y16 HydrophobicContact CB-CE1 3.45Å; V14-Y16 VanDerWaalsContact CB-CE1 3.45Å; V14-Y16 HydrophobicContact CB-CE2 4.46Å; V14-Y16 HydrophobicContact CB-CG 4.39Å; V14-Y16 HydrophobicContact CG1-CD1 4.43Å; V14-Y16 HydrophobicContact CG1-CE1 3.64Å; V14-Y16 HydrophobicContact CG2-CD1 4.04Å; V14-Y16 HydrophobicContact CG2-CD2 4.13Å; V14-Y16 HydrophobicContact CG2-CE1 3.82Å; V14-Y16 HydrophobicContact CG2-CE2 3.9Å; V14-Y16 HydrophobicContact CG2-CG 4.2Å; V14-Y16 WeakPolarHBondContact CG2-O 3.33Å; V14-V18 HydrophobicContact CG2-CG1 3.48Å; V14-V18 VanDerWaalsContact CG2-CG1 3.48Å; V14-N65 HydrophobicContact CG2-CB 4.21Å; V14-N65 WeakPolarHBondContact CG2-O 3.37Å; V14-N65 PolarHBondContact N-O 2.7Å; V14-N65 WeakPolarHBondContact O-CB 3.39Å
15S90.3Very high89.7Confident117 Ų11746.5 Ų46.582%0.81828%0.276SS*.SBendtrans-81.4-8.9178.9580000114.1
16Y89.4Confident90.8Very high26 Ų2644.6 Ų44.610%0.10225%0.254CS..SBendtrans-103.8160.117961.2-91.7000111.6V14 V18 Y21 T23 N65 K86V14-Y16 VanDerWaalsContact C-N 3.31Å; V14-Y16 HydrophobicContact CB-CD1 3.75Å; V14-Y16 HydrophobicContact CB-CE1 3.45Å; V14-Y16 VanDerWaalsContact CB-CE1 3.45Å; V14-Y16 HydrophobicContact CB-CE2 4.46Å; V14-Y16 HydrophobicContact CB-CG 4.39Å; V14-Y16 HydrophobicContact CG1-CD1 4.43Å; V14-Y16 HydrophobicContact CG1-CE1 3.64Å; V14-Y16 HydrophobicContact CG2-CD1 4.04Å; V14-Y16 HydrophobicContact CG2-CD2 4.13Å; V14-Y16 HydrophobicContact CG2-CE1 3.82Å; V14-Y16 HydrophobicContact CG2-CE2 3.9Å; V14-Y16 HydrophobicContact CG2-CG 4.2Å; V14-Y16 WeakPolarHBondContact CG2-O 3.33Å; Y16-V18 HydrophobicContact CE2-CG1 4.45Å; Y16-V18 PolarHBondContact O-N 3.14Å; Y16-Y21 AromaticContact CD2-CD2 4Å; Y16-Y21 HydrophobicContact CD2-CD2 4Å; Y16-Y21 HydrophobicContact CD2-CG 4.36Å; Y16-Y21 HydrophobicContact CG-CD2 4.44Å; Y16-T23 WeakPolarHBondContact OH-CB 3.37Å; Y16-T23 VanDerWaalsContact OH-CG2 3.31Å; Y16-T23 WeakPolarHBondContact OH-CG2 3.31Å; Y16-T23 PolarHBondContact OH-OG1 3.26Å; Y16-N65 WeakPolarHBondContact O-CB 3.34Å; Y16-K86 HydrophobicContact CD1-CB 4.17Å; Y16-K86 HydrophobicContact CD1-CD 3.63Å; Y16-K86 HydrophobicContact CD1-CG 4.02Å; Y16-K86 HydrophobicContact CD2-CD 4.06Å; Y16-K86 HydrophobicContact CD2-CG 4.18Å; Y16-K86 HydrophobicContact CE1-CB 3.5Å; Y16-K86 HydrophobicContact CE1-CD 3.86Å; Y16-K86 HydrophobicContact CE1-CG 3.72Å; Y16-K86 HydrophobicContact CE2-CB 4.4Å; Y16-K86 HydrophobicContact CE2-CD 4.3Å; Y16-K86 HydrophobicContact CE2-CG 3.91Å; Y16-K86 HydrophobicContact CG-CD 3.73Å; Y16-K86 HydrophobicContact CG-CG 4.24Å; Y16-K86 WeakPolarHBondContact OH-CA 3.37Å
17S93.3Very high91.4Very high43 Ų4341.2 Ų41.230%0.30124%0.237SC..  trans-69.2117.2172.9175.50000111.2T19 S20 Y21 N65S17-T19 PolarHBondContact O-N 2.85Å; S17-T19 VanDerWaalsContact O-N 3.14Å; S17-T19 PolarHBondContact OG-N 2.77Å; S17-T19 PolarHBondContact OG-OG1 2.92Å; S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.31Å; S17-Y21 PolarHBondContact O-N 3.03Å; S17-N65 WeakPolarHBondContact CA-OD1 3.47Å
18V93.4Very high91.6Very high2 Ų241.4 Ų41.41%0.01223%0.234CC..THydrogen-bonded Turntrans-67.4-8.8178.3-630000113.2V14 Y16 R60 T62 N65 V67V14-V18 HydrophobicContact CG2-CG1 3.48Å; V14-V18 VanDerWaalsContact CG2-CG1 3.48Å; Y16-V18 HydrophobicContact CE2-CG1 4.45Å; Y16-V18 PolarHBondContact O-N 3.14Å; V18-R60 HydrophobicContact CG2-CB 4.43Å; V18-R60 PolarHBondContact O-NH1 2.9Å; V18-T62 HydrophobicContact CG2-CG2 4.07Å; V18-N65 HydrophobicContact CG1-CB 4.37Å; V18-V67 HydrophobicContact CB-CG2 4.47Å; V18-V67 HydrophobicContact CG1-CG2 3.74Å
19T94.8Very high91.7Very high70 Ų7041.5 Ų41.543%0.42924%0.235SC..THydrogen-bonded Turntrans-92.2-9.4170.9610000113S17 S42 T62S17-T19 PolarHBondContact O-N 2.85Å; S17-T19 VanDerWaalsContact O-N 3.14Å; S17-T19 PolarHBondContact OG-N 2.77Å; S17-T19 PolarHBondContact OG-OG1 2.92Å; T19-S42 VanDerWaalsContact O-CB 3.29Å; T19-S42 WeakPolarHBondContact O-CB 3.35Å; T19-T62 HydrophobicContact CG2-CG2 3.46Å; T19-T62 VanDerWaalsContact CG2-CG2 3.46Å
20S92.5Very high91.5Very high74 Ų7442.3 Ų42.352%0.51725%0.25SC..THydrogen-bonded Turntrans-97.7-27176.4-57.60000112.7S17S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.31Å
21Y89.8Confident91.3Very high104 Ų10446.6 Ų46.641%0.40830%0.295SS..SBendtrans-134.5146-177.4-61.1-86.9000111.8Y16 S17 K86 N87Y16-Y21 AromaticContact CD2-CD2 4Å; Y16-Y21 HydrophobicContact CD2-CD2 4Å; Y16-Y21 HydrophobicContact CD2-CG 4.36Å; Y16-Y21 HydrophobicContact CG-CD2 4.44Å; S17-Y21 PolarHBondContact O-N 3.03Å; Y21-K86 HydrophobicContact CD1-CD 4.07Å; Y21-K86 HydrophobicContact CD1-CG 4.19Å; Y21-K86 HydrophobicContact CD2-CD 4.06Å; Y21-K86 HydrophobicContact CG-CD 3.83Å; Y21-K86 HydrophobicContact CG-CG 3.93Å; Y21-N87 WeakPolarHBondContact CD1-O 3.32Å
22G91.8Very high91.1Very high3 Ų350.1 Ų50.13%0.03130%0.303CS..  trans-68154165.800000111.6I40 N87G22-I40 CarbonylContact C-O 3.5Å; G22-I40 WeakPolarHBondContact CA-O 3.47Å; G22-N87 WeakPolarHBondContact O-CB 3.23Å; G22-N87 PolarHBondContact O-N 3.4Å
23T92.9Very high90.9Very high1 Ų153.7 Ų53.71%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-128.4121.4177.7-540000110.2Y16 V39 I40 V67 C84 A85Y16-T23 WeakPolarHBondContact OH-CB 3.37Å; Y16-T23 VanDerWaalsContact OH-CG2 3.31Å; Y16-T23 WeakPolarHBondContact OH-CG2 3.31Å; Y16-T23 PolarHBondContact OH-OG1 3.26Å; T23-V39 WeakPolarHBondContact O-CA 3.42Å; T23-V39 WeakPolarHBondContact O-CG2 3.46Å; T23-I40 PolarHBondContact N-O 2.74Å; T23-I40 PolarHBondContact O-N 2.65Å; T23-V67 HydrophobicContact CG2-CB 4.12Å; T23-V67 HydrophobicContact CG2-CG1 4.18Å; T23-V67 HydrophobicContact CG2-CG2 3.88Å; T23-C84 HydrophobicContact CG2-CB 4.28Å; T23-A85 CarbonylContact C-O 3.55Å; T23-A85 WeakPolarHBondContact CA-O 3.46Å
24H93.1Very high90.7Very high20 Ų2049 Ų499%0.09331%0.312CS..EExtended strand (participates in β ladder)trans-91.2146.3179.6-62.1-99.9000110.9W36 G38 C84 A85 N87H24-W36 AromaticContact ND1-CD1 3.82Å; H24-W36 AromaticContact ND1-NE1 3.19Å; H24-W36 PolarHBondContact ND1-NE1 2.91Å; H24-W36 VanDerWaalsContact ND1-NE1 3.19Å; H24-G38 CarbonylContact C-O 3.59Å; H24-G38 WeakPolarHBondContact CA-O 3.33Å; H24-C84 CarbonylContact O-C 3.59Å; H24-C84 VanDerWaalsContact O-CA 3.27Å; H24-C84 WeakPolarHBondContact O-CA 3.47Å; H24-A85 HydrophobicContact CB-CB 4.19Å; H24-A85 PolarHBondContact N-O 2.8Å; H24-A85 PolarHBondContact O-N 2.86Å; H24-N87 WeakPolarHBondContact NE2-CB 3.2Å; H24-N87 PolarHBondContact NE2-ND2 2.76Å
25W93.5Very high90.7Very high0 Ų050.5 Ų50.50%032%0.317CS..EExtended strand (participates in β ladder)trans-107.2132.1164.6-78.899.3000110.2I10 C12 M37 G38 I58 V67 L69 Y83 M102I10-W25 HydrophobicContact CB-CH2 3.8Å; I10-W25 HydrophobicContact CB-CZ3 4.11Å; I10-W25 HydrophobicContact CD1-CZ3 4.49Å; I10-W25 HydrophobicContact CG2-CH2 3.64Å; I10-W25 HydrophobicContact CG2-CZ3 3.88Å; C12-W25 HydrophobicContact CB-CH2 3.99Å; C12-W25 HydrophobicContact CB-CZ2 4.05Å; W25-M37 HydrophobicContact CB-CB 4.3Å; W25-M37 PolarHBondContact O-N 3.19Å; W25-G38 PolarHBondContact N-O 2.91Å; W25-G38 PolarHBondContact O-N 3.45Å; W25-I58 HydrophobicContact CB-CD1 4.42Å; W25-I58 HydrophobicContact CG-CD1 4.43Å; W25-V67 WeakPolarHBondContact CZ2-O 3.34Å; W25-L69 HydrophobicContact CB-CD2 4.49Å; W25-L69 HydrophobicContact CD2-CB 3.63Å; W25-L69 HydrophobicContact CD2-CD2 4.04Å; W25-L69 HydrophobicContact CD2-CG 4.35Å; W25-L69 VanDerWaalsContact CE2-CB 3.45Å; W25-L69 HydrophobicContact CE3-CB 4.03Å; W25-L69 HydrophobicContact CE3-CD2 3.9Å; W25-L69 HydrophobicContact CG-CB 4.07Å; W25-L69 HydrophobicContact CG-CD1 4.4Å; W25-L69 HydrophobicContact CG-CD2 4.31Å; W25-L69 HydrophobicContact CH2-CB 4.04Å; W25-L69 HydrophobicContact CZ2-CB 3.67Å; W25-L69 HydrophobicContact CZ3-CB 4.22Å; W25-L69 HydrophobicContact CZ3-CD2 4.41Å; W25-Y83 WeakPolarHBondContact CA-O 3.18Å; W25-M102 HydrophobicContact CH2-CE 3.6Å; W25-M102 HydrophobicContact CZ3-CE 3.66Å
26I91.5Very high90.8Very high10 Ų1049.8 Ų49.85%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-136.3137.2-176.7-53.8168.6000107.4L34 E35 Y83 A85 Y97I26-L34 HydrophobicContact CG2-CB 3.87Å; I26-L34 HydrophobicContact CG2-CD2 3.63Å; I26-L34 HydrophobicContact CG2-CG 4.29Å; I26-E35 CarbonylContact C-O 3.57Å; I26-E35 WeakPolarHBondContact CA-O 3.38Å; I26-E35 WeakPolarHBondContact CG2-O 3.29Å; I26-Y83 PolarHBondContact N-O 2.88Å; I26-Y83 PolarHBondContact O-N 2.94Å; I26-A85 HydrophobicContact CD1-CB 4.08Å; I26-Y97 HydrophobicContact CD1-CD2 4.47Å; I26-Y97 HydrophobicContact CD1-CE2 4.29Å
27R91.2Very high91Very high20 Ų2048.6 Ų48.68%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-115.1154.7172.368.9177.8-167.8149.88.6111.3E35 M37 E77 E78 A80 V81 Y82R27-E35 HydrophobicContact CG-CB 4Å; R27-E35 IonicContact CZ-OE2 3.17Å; R27-E35 PolarHBondContact N-O 2.95Å; R27-E35 IonicContact NE-OE2 2.85Å; R27-E35 PolarHBondContact NE-OE2 3.07Å; R27-E35 IonicContact NH2-OE2 2.7Å; R27-E35 PolarHBondContact NH2-OE2 3.17Å; R27-E35 PolarHBondContact O-N 3.2Å; R27-M37 HydrophobicContact CB-CG 4.32Å; R27-M37 HydrophobicContact CB-SD 3.74Å; R27-M37 HydrophobicContact CG-CG 3.97Å; R27-M37 HydrophobicContact CG-SD 3.87Å; R27-E77 PolarHBondContact NH1-O 2.85Å; R27-E77 VanDerWaalsContact NH1-O 3.07Å; R27-E78 IonicContact CZ-OE2 3.59Å; R27-E78 IonicContact NH1-OE1 3.44Å; R27-E78 PolarHBondContact NH1-OE1 2.85Å; R27-E78 IonicContact NH1-OE2 2.65Å; R27-E78 PolarHBondContact NH1-OE2 2.88Å; R27-A80 HydrophobicContact CB-CB 3.93Å; R27-V81 CarbonylContact C-O 3.45Å; R27-V81 VanDerWaalsContact CA-O 3.31Å; R27-V81 WeakPolarHBondContact CA-O 3.5Å; R27-Y82 HydrophobicContact CB-CD1 4.02Å; R27-Y82 HydrophobicContact CB-CE1 4Å
28Q88.9Confident91.1Very high68 Ų6846.5 Ų46.532%0.31828%0.278SS..EExtended strand (participates in β ladder)trans-130.999.7172.3-168.817619.300109.7L34 A80 V81 Y83Q28-L34 HydrophobicContact CB-CD2 3.65Å; Q28-L34 HydrophobicContact CB-CG 4.5Å; Q28-L34 HydrophobicContact CG-CD2 4.14Å; Q28-A80 WeakPolarHBondContact O-CA 3.44Å; Q28-A80 WeakPolarHBondContact O-CB 3.11Å; Q28-V81 HydrophobicContact CB-CB 4.47Å; Q28-V81 PolarHBondContact N-O 3.37Å; Q28-V81 PolarHBondContact O-N 3.14Å; Q28-Y83 HydrophobicContact CB-CE2 3.84Å; Q28-Y83 PolarHBondContact OE1-OH 3.03Å
29P88.5Confident91.2Very high10 Ų1046.5 Ų46.57%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-61.9151.2169-1830.8000110.6G31 K32 A80P29-G31 PolarHBondContact O-N 3.29Å; P29-K32 HydrophobicContact CB-CB 4.01Å; P29-K32 HydrophobicContact CB-CD 3.95Å; P29-K32 HydrophobicContact CB-CG 4.13Å; P29-K32 HydrophobicContact CG-CB 4.26Å; P29-K32 HydrophobicContact CG-CD 4.22Å; P29-K32 PolarHBondContact O-N 3.08Å; P29-A80 HydrophobicContact CG-CB 4.44Å
30A86.9Confident91.2Very high99 Ų9943.6 Ų43.682%0.81826%0.259SS*.THydrogen-bonded Turntrans-57.9128.117900000110.9K32A30-K32 PolarHBondContact O-N 2.68Å
31G88Confident91.4Very high93 Ų9344 Ų4496%0.95925%0.25SC*.THydrogen-bonded Turntrans72.25.3-178.900000115.6P29P29-G31 PolarHBondContact O-N 3.29Å
32K88.5Confident91.5Very high130 Ų13041.4 Ų41.457%0.56525%0.247SC*.SBendtrans-113.2165.6179.1-60.1-167.6-176.8177.70112.6P29 A30P29-K32 HydrophobicContact CB-CB 4.01Å; P29-K32 HydrophobicContact CB-CD 3.95Å; P29-K32 HydrophobicContact CB-CG 4.13Å; P29-K32 HydrophobicContact CG-CB 4.26Å; P29-K32 HydrophobicContact CG-CD 4.22Å; P29-K32 PolarHBondContact O-N 3.08Å; A30-K32 PolarHBondContact O-N 2.68Å
33A88.1Confident91.6Very high77 Ų7744.6 Ų44.664%0.63628%0.279SS*.  trans-67.3168.3173.300000111.8
34L88.4Confident91.7Very high40 Ų4046.1 Ų46.121%0.20930%0.295CS..  trans-70.5131.3172.9-75.9166.7000110.2I26 Q28 Y83 L94I26-L34 HydrophobicContact CG2-CB 3.87Å; I26-L34 HydrophobicContact CG2-CD2 3.63Å; I26-L34 HydrophobicContact CG2-CG 4.29Å; Q28-L34 HydrophobicContact CB-CD2 3.65Å; Q28-L34 HydrophobicContact CB-CG 4.5Å; Q28-L34 HydrophobicContact CG-CD2 4.14Å; L34-Y83 HydrophobicContact CD2-CD2 3.79Å; L34-Y83 HydrophobicContact CD2-CE2 3.62Å; L34-L94 HydrophobicContact CB-CD1 3.99Å; L34-L94 HydrophobicContact CB-CD2 4.07Å; L34-L94 HydrophobicContact CD1-CB 4.12Å; L34-L94 HydrophobicContact CD1-CD1 3.9Å; L34-L94 HydrophobicContact CD1-CD2 3.53Å; L34-L94 HydrophobicContact CD1-CG 4.03Å; L34-L94 HydrophobicContact CG-CD1 4.44Å; L34-L94 HydrophobicContact CG-CD2 4.4Å
35E90.8Very high91.8Very high53 Ų5348.5 Ų48.525%0.24831%0.314CS..EExtended strand (participates in β ladder)trans-114121.5179.2-65.3179.3-175.200109.7I26 R27I26-E35 CarbonylContact C-O 3.57Å; I26-E35 WeakPolarHBondContact CA-O 3.38Å; I26-E35 WeakPolarHBondContact CG2-O 3.29Å; R27-E35 HydrophobicContact CG-CB 4Å; R27-E35 IonicContact CZ-OE2 3.17Å; R27-E35 PolarHBondContact N-O 2.95Å; R27-E35 IonicContact NE-OE2 2.85Å; R27-E35 PolarHBondContact NE-OE2 3.07Å; R27-E35 IonicContact NH2-OE2 2.7Å; R27-E35 PolarHBondContact NH2-OE2 3.17Å; R27-E35 PolarHBondContact O-N 3.2Å
36W92.1Very high91.9Very high102 Ų10251 Ų5139%0.38633%0.328SS..EExtended strand (participates in β ladder)trans-73.2132174.2178.671.2000110.1H24 G38 V39 N47 A49H24-W36 AromaticContact ND1-CD1 3.82Å; H24-W36 AromaticContact ND1-NE1 3.19Å; H24-W36 PolarHBondContact ND1-NE1 2.91Å; H24-W36 VanDerWaalsContact ND1-NE1 3.19Å; W36-G38 PolarHBondContact NE1-O 2.9Å; W36-V39 HydrophobicContact CZ2-CB 4.13Å; W36-V39 HydrophobicContact CZ2-CG1 3.92Å; W36-N47 HydrophobicContact CH2-CB 4.09Å; W36-N47 HydrophobicContact CZ2-CB 4.49Å; W36-A49 HydrophobicContact CE3-CB 3.72Å; W36-A49 HydrophobicContact CZ3-CB 3.83Å; W36-A49 VanDerWaalsContact O-CB 3.23Å; W36-A49 WeakPolarHBondContact O-CB 3.38Å
37M93.5Very high92.1Very high1 Ų154.4 Ų54.41%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-104.6-40.6-178.6-60.1-177.873.900112W25 R27 A49 V52 I56 L69 Y82W25-M37 HydrophobicContact CB-CB 4.3Å; W25-M37 PolarHBondContact O-N 3.19Å; R27-M37 HydrophobicContact CB-CG 4.32Å; R27-M37 HydrophobicContact CB-SD 3.74Å; R27-M37 HydrophobicContact CG-CG 3.97Å; R27-M37 HydrophobicContact CG-SD 3.87Å; M37-A49 PolarHBondContact O-N 2.97Å; M37-V52 HydrophobicContact CB-CG2 4.36Å; M37-V52 HydrophobicContact CE-CG1 4.26Å; M37-V52 WeakPolarHBondContact O-CG2 3.29Å; M37-I56 HydrophobicContact CB-CD1 4.17Å; M37-I56 HydrophobicContact CE-CG2 4.04Å; M37-I56 WeakPolarHBondContact O-CD1 3.44Å; M37-L69 HydrophobicContact CE-CD2 4.01Å; M37-L69 HydrophobicContact SD-CD2 4Å; M37-Y82 HydrophobicContact CE-CE1 4.05Å; M37-Y82 HydrophobicContact SD-CD1 3.94Å; M37-Y82 HydrophobicContact SD-CE1 3.75Å
38G94.8Very high92.3Very high0 Ų056.7 Ų56.70%036%0.355CS..EExtended strand (participates in β ladder)trans176.4177.5-176.800000113.1H24 W25 W36 N47H24-G38 CarbonylContact C-O 3.59Å; H24-G38 WeakPolarHBondContact CA-O 3.33Å; W25-G38 PolarHBondContact N-O 2.91Å; W25-G38 PolarHBondContact O-N 3.45Å; W36-G38 PolarHBondContact NE1-O 2.9Å; G38-N47 CarbonylContact C-O 3.54Å; G38-N47 WeakPolarHBondContact CA-O 3.37Å
39V94.6Very high92.6Very high1 Ų154 Ų541%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-145.5142.7176.465.60000109.4T23 W36 W41 N46 N47T23-V39 WeakPolarHBondContact O-CA 3.42Å; T23-V39 WeakPolarHBondContact O-CG2 3.46Å; W36-V39 HydrophobicContact CZ2-CB 4.13Å; W36-V39 HydrophobicContact CZ2-CG1 3.92Å; V39-W41 HydrophobicContact CG1-CD2 4.28Å; V39-W41 HydrophobicContact CG1-CZ2 3.74Å; V39-W41 HydrophobicContact CG2-CD2 4.29Å; V39-W41 HydrophobicContact CG2-CE3 4.39Å; V39-W41 HydrophobicContact CG2-CZ2 4.5Å; V39-N46 VanDerWaalsContact O-CA 3.29Å; V39-N46 WeakPolarHBondContact O-CA 3.27Å; V39-N47 HydrophobicContact CG1-CB 3.93Å; V39-N47 PolarHBondContact N-O 2.94Å; V39-N47 PolarHBondContact O-N 3.17Å
40I96.4Very high92.8Very high10 Ų1059.5 Ų59.55%0.05138%0.378CS..EExtended strand (participates in β ladder)trans-105.5121160.2-176.2157.2000108.4G22 T23 N46 I58 R60 V67G22-I40 CarbonylContact C-O 3.5Å; G22-I40 WeakPolarHBondContact CA-O 3.47Å; T23-I40 PolarHBondContact N-O 2.74Å; T23-I40 PolarHBondContact O-N 2.65Å; I40-N46 WeakPolarHBondContact CA-OD1 3.24Å; I40-N46 WeakPolarHBondContact CB-OD1 3.27Å; I40-N46 WeakPolarHBondContact CD1-OD1 3.42Å; I40-N46 WeakPolarHBondContact CG1-OD1 3.15Å; I40-I58 HydrophobicContact CB-CG2 3.78Å; I40-I58 HydrophobicContact CG2-CG2 3.7Å; I40-R60 HydrophobicContact CD1-CB 3.99Å; I40-R60 HydrophobicContact CD1-CG 3.72Å; I40-V67 HydrophobicContact CG2-CG1 3.67Å; I40-V67 HydrophobicContact CG2-CG2 4.43Å
41W95.1Very high92.8Very high83 Ų8359 Ų5931%0.31436%0.361SS..  trans-77.1162.9-179.9-63.8107.5000111.6V39 G43 G44 S45 N47 R60 N87V39-W41 HydrophobicContact CG1-CD2 4.28Å; V39-W41 HydrophobicContact CG1-CZ2 3.74Å; V39-W41 HydrophobicContact CG2-CD2 4.29Å; V39-W41 HydrophobicContact CG2-CE3 4.39Å; V39-W41 HydrophobicContact CG2-CZ2 4.5Å; W41-G43 PolarHBondContact O-N 2.91Å; W41-G44 WeakPolarHBondContact O-CA 3.34Å; W41-G44 PolarHBondContact O-N 2.78Å; W41-S45 PolarHBondContact N-O 3.07Å; W41-N47 PolarHBondContact NE1-OD1 3.44Å; W41-R60 PolarHBondContact O-NH1 3.02Å; W41-N87 HydrophobicContact CZ3-CB 4.46Å
42S93.2Very high92.8Very high49 Ų4954.6 Ų54.634%0.34332%0.316SS..THydrogen-bonded Turntrans-56.5-31.7174.8480000112.9T19 G44 R60T19-S42 VanDerWaalsContact O-CB 3.29Å; T19-S42 WeakPolarHBondContact O-CB 3.35Å; S42-G44 VanDerWaalsContact C-N 3.27Å; S42-G44 PolarHBondContact O-N 2.85Å; S42-R60 VanDerWaalsContact O-CZ 3.3Å; S42-R60 PolarHBondContact O-NH1 2.83Å; S42-R60 PolarHBondContact O-NH2 2.86Å
43G93.6Very high92.9Very high69 Ų6954.4 Ų54.471%0.71132%0.317SS*.THydrogen-bonded Turntrans-74.1-9.6172.800000115W41W41-G43 PolarHBondContact O-N 2.91Å
44G93.9Very high93Very high33 Ų3354.4 Ų54.434%0.3432%0.324SS..SBendtrans90.5-0.318000000115.1W41 S42W41-G44 WeakPolarHBondContact O-CA 3.34Å; W41-G44 PolarHBondContact O-N 2.78Å; S42-G44 VanDerWaalsContact C-N 3.27Å; S42-G44 PolarHBondContact O-N 2.85Å
45S95.8Very high93.2Very high71 Ų7155.7 Ų55.750%0.49733%0.327SS..  trans-74150.9170.453.20000111.4W41W41-S45 PolarHBondContact N-O 3.07Å
46N96.4Very high93.3Very high53 Ų5353.7 Ų53.728%0.28332%0.318SS..EExtended strand (participates in β ladder)trans-115.7145.9-179.9-71.9-14.7000111.8V39 I40 Y48 I58V39-N46 VanDerWaalsContact O-CA 3.29Å; V39-N46 WeakPolarHBondContact O-CA 3.27Å; I40-N46 WeakPolarHBondContact CA-OD1 3.24Å; I40-N46 WeakPolarHBondContact CB-OD1 3.27Å; I40-N46 WeakPolarHBondContact CD1-OD1 3.42Å; I40-N46 WeakPolarHBondContact CG1-OD1 3.15Å; N46-Y48 HydrophobicContact CB-CE1 4.25Å; N46-Y48 HydrophobicContact CB-CE2 4.1Å; N46-Y48 PolarHBondContact ND2-OH 3.1Å; N46-I58 PolarHBondContact ND2-O 2.77Å
47N95.7Very high93.5Very high80 Ų8053.1 Ų53.143%0.42832%0.319SS..EExtended strand (participates in β ladder)trans-126.2143.6162.4-62.660.5000109W36 G38 V39 W41W36-N47 HydrophobicContact CH2-CB 4.09Å; W36-N47 HydrophobicContact CZ2-CB 4.49Å; G38-N47 CarbonylContact C-O 3.54Å; G38-N47 WeakPolarHBondContact CA-O 3.37Å; V39-N47 HydrophobicContact CG1-CB 3.93Å; V39-N47 PolarHBondContact N-O 2.94Å; V39-N47 PolarHBondContact O-N 3.17Å; W41-N47 PolarHBondContact NE1-OD1 3.44Å
48Y95.7Very high93.6Very high69 Ų6953.2 Ų53.227%0.27132%0.32SS..EExtended strand (participates in β ladder)trans-124.8151.6-178.6-55.7-63.5000110.6N46 I56 I58N46-Y48 HydrophobicContact CB-CE1 4.25Å; N46-Y48 HydrophobicContact CB-CE2 4.1Å; N46-Y48 PolarHBondContact ND2-OH 3.1Å; Y48-I56 HydrophobicContact CD1-CD1 3.51Å; Y48-I56 HydrophobicContact CD1-CG1 3.71Å; Y48-I56 HydrophobicContact CE1-CD1 4.1Å; Y48-I56 HydrophobicContact CE1-CG1 4.08Å; Y48-I56 HydrophobicContact CG-CD1 4.35Å; Y48-I56 HydrophobicContact CG-CG1 4.34Å; Y48-I58 HydrophobicContact CD1-CD1 4.11Å; Y48-I58 HydrophobicContact CE1-CB 4.27Å; Y48-I58 HydrophobicContact CE1-CD1 3.86Å; Y48-I58 HydrophobicContact CE1-CG1 3.95Å
49A93.7Very high93.7Very high12 Ų1256.1 Ų56.110%0.09934%0.337CS..  trans-73.7142.8167.900000110.1W36 M37 N51 V52 Q53W36-A49 HydrophobicContact CE3-CB 3.72Å; W36-A49 HydrophobicContact CZ3-CB 3.83Å; W36-A49 VanDerWaalsContact O-CB 3.23Å; W36-A49 WeakPolarHBondContact O-CB 3.38Å; M37-A49 PolarHBondContact O-N 2.97Å; A49-N51 WeakPolarHBondContact CB-OD1 3.06Å; A49-N51 PolarHBondContact O-N 2.88Å; A49-N51 VanDerWaalsContact O-N 3.17Å; A49-V52 HydrophobicContact CB-CG2 4.01Å; A49-V52 VanDerWaalsContact O-CG2 3.31Å; A49-V52 WeakPolarHBondContact O-CG2 3Å; A49-V52 PolarHBondContact O-N 3.37Å; A49-V52 VanDerWaalsContact O-N 3.1Å; A49-Q53 PolarHBondContact O-N 3.14Å
50T92.5Very high93.8Very high125 Ų12559.1 Ų59.177%0.76735%0.349SS*.THydrogen-bonded Turntrans-58.9-32.7-173.5-49.20000112.9V52T50-V52 VanDerWaalsContact C-N 3.29Å; T50-V52 PolarHBondContact O-N 2.9Å
51N88.1Confident93.7Very high88 Ų8860.7 Ų60.747%0.47136%0.357SS..THydrogen-bonded Turntrans-72.8-15-179.265.5-34.7000114.7A49 R55A49-N51 WeakPolarHBondContact CB-OD1 3.06Å; A49-N51 PolarHBondContact O-N 2.88Å; A49-N51 VanDerWaalsContact O-N 3.17Å; N51-R55 PolarHBondContact O-NH2 3Å
52V88.8Confident93.7Very high0 Ų060.3 Ų60.30%036%0.364CS..THydrogen-bonded Turntrans-121.4-3.2-179.6-64.70000112.7M37 A49 T50 G54 R55 I56M37-V52 HydrophobicContact CB-CG2 4.36Å; M37-V52 HydrophobicContact CE-CG1 4.26Å; M37-V52 WeakPolarHBondContact O-CG2 3.29Å; A49-V52 HydrophobicContact CB-CG2 4.01Å; A49-V52 VanDerWaalsContact O-CG2 3.31Å; A49-V52 WeakPolarHBondContact O-CG2 3Å; A49-V52 PolarHBondContact O-N 3.37Å; A49-V52 VanDerWaalsContact O-N 3.1Å; T50-V52 VanDerWaalsContact C-N 3.29Å; T50-V52 PolarHBondContact O-N 2.9Å; V52-G54 PolarHBondContact O-N 2.96Å; V52-R55 PolarHBondContact O-N 2.78Å; V52-I56 HydrophobicContact CB-CD1 4.15Å; V52-I56 HydrophobicContact CB-CG1 4.11Å; V52-I56 HydrophobicContact CB-CG2 4.02Å; V52-I56 HydrophobicContact CG2-CD1 3.5Å; V52-I56 HydrophobicContact CG2-CG1 3.9Å; V52-I56 PolarHBondContact O-N 2.79Å
53Q89.2Confident93.9Very high126 Ų12662.6 Ų62.659%0.58938%0.38SS*.THydrogen-bonded Turntrans-57.3135.2179.3-172.1169.1-12.100111.1A49 R55A49-Q53 PolarHBondContact O-N 3.14Å; Q53-R55 PolarHBondContact O-N 3.07Å
54G90.3Very high93.9Very high77 Ų7764.9 Ų64.979%0.79437%0.37SS*.THydrogen-bonded Turntrans79.3-13.2-176.100000115V52V52-G54 PolarHBondContact O-N 2.96Å
55R91.9Very high93.9Very high68 Ų6865.6 Ų65.626%0.25737%0.366SS..THydrogen-bonded Turntrans-101.8-29174.2-59.7-169.5-66.5132.90.1112.7N51 V52 Q53 L71 S72 E78N51-R55 PolarHBondContact O-NH2 3Å; V52-R55 PolarHBondContact O-N 2.78Å; Q53-R55 PolarHBondContact O-N 3.07Å; R55-L71 HydrophobicContact CB-CD1 4.13Å; R55-S72 WeakPolarHBondContact O-CB 3.02Å; R55-S72 PolarHBondContact O-N 2.91Å; R55-E78 IonicContact CZ-OE1 3.32Å; R55-E78 VanDerWaalsContact CZ-OE1 3.32Å; R55-E78 IonicContact NH1-OE1 2.78Å; R55-E78 PolarHBondContact NH1-OE1 2.98Å; R55-E78 IonicContact NH2-OE1 2.91Å; R55-E78 PolarHBondContact NH2-OE1 2.83Å
56I93.5Very high93.9Very high11 Ų1164.3 Ų64.36%0.05635%0.353CS..EExtended strand (participates in β ladder)trans-105.4150.5179.866.6165000113.5M37 Y48 V52 I58 L69 R70 L71M37-I56 HydrophobicContact CB-CD1 4.17Å; M37-I56 HydrophobicContact CE-CG2 4.04Å; M37-I56 WeakPolarHBondContact O-CD1 3.44Å; Y48-I56 HydrophobicContact CD1-CD1 3.51Å; Y48-I56 HydrophobicContact CD1-CG1 3.71Å; Y48-I56 HydrophobicContact CE1-CD1 4.1Å; Y48-I56 HydrophobicContact CE1-CG1 4.08Å; Y48-I56 HydrophobicContact CG-CD1 4.35Å; Y48-I56 HydrophobicContact CG-CG1 4.34Å; V52-I56 HydrophobicContact CB-CD1 4.15Å; V52-I56 HydrophobicContact CB-CG1 4.11Å; V52-I56 HydrophobicContact CB-CG2 4.02Å; V52-I56 HydrophobicContact CG2-CD1 3.5Å; V52-I56 HydrophobicContact CG2-CG1 3.9Å; V52-I56 PolarHBondContact O-N 2.79Å; I56-I58 HydrophobicContact CD1-CD1 4.37Å; I56-L69 HydrophobicContact CB-CD1 3.95Å; I56-L69 HydrophobicContact CD1-CD1 4.22Å; I56-L69 HydrophobicContact CG2-CD1 4.14Å; I56-R70 CarbonylContact C-O 3.44Å; I56-R70 WeakPolarHBondContact CA-O 3.31Å; I56-L71 HydrophobicContact CG2-CB 4.14Å; I56-L71 HydrophobicContact CG2-CD1 3.36Å; I56-L71 HydrophobicContact CG2-CG 4.31Å
57E95.9Very high93.8Very high90 Ų9061.8 Ų61.842%0.42134%0.339SS..EExtended strand (participates in β ladder)trans-133.3130.1170.7-179.4-176.5-163.400108.4T59 R70E57-T59 HydrophobicContact CG-CG2 4.03Å; E57-R70 HydrophobicContact CB-CB 4.28Å; E57-R70 PolarHBondContact N-O 3.21Å; E57-R70 PolarHBondContact O-N 2.81Å
58I96.4Very high93.9Very high3 Ų358.8 Ų58.82%0.01532%0.324CS..EExtended strand (participates in β ladder)trans-113.5125.2176-60.1165.3000108.6W25 I40 N46 Y48 I56 V67 T68 L69W25-I58 HydrophobicContact CB-CD1 4.42Å; W25-I58 HydrophobicContact CG-CD1 4.43Å; I40-I58 HydrophobicContact CB-CG2 3.78Å; I40-I58 HydrophobicContact CG2-CG2 3.7Å; N46-I58 PolarHBondContact ND2-O 2.77Å; Y48-I58 HydrophobicContact CD1-CD1 4.11Å; Y48-I58 HydrophobicContact CE1-CB 4.27Å; Y48-I58 HydrophobicContact CE1-CD1 3.86Å; Y48-I58 HydrophobicContact CE1-CG1 3.95Å; I56-I58 HydrophobicContact CD1-CD1 4.37Å; I58-V67 HydrophobicContact CG2-CG1 3.83Å; I58-T68 CarbonylContact C-O 3.59Å; I58-T68 VanDerWaalsContact CA-O 3.31Å; I58-T68 WeakPolarHBondContact CA-O 3.33Å; I58-L69 HydrophobicContact CG1-CD1 3.82Å
59T96.9Very high93.8Very high60 Ų6055.6 Ų55.637%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-126.5165.7178.5640000111E57 V67 T68E57-T59 HydrophobicContact CG-CG2 4.03Å; T59-V67 CarbonylContact O-C 3.51Å; T59-V67 WeakPolarHBondContact O-CA 3.29Å; T59-V67 WeakPolarHBondContact O-CG1 3.17Å; T59-T68 PolarHBondContact N-O 2.77Å; T59-T68 PolarHBondContact O-N 2.7Å
60R95.6Very high93.9Very high65 Ų6560.6 Ų60.625%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-136.5144.9175.268-178-177.9171.3-3.1111.6V18 I40 W41 S42 T62 M66 V67V18-R60 HydrophobicContact CG2-CB 4.43Å; V18-R60 PolarHBondContact O-NH1 2.9Å; I40-R60 HydrophobicContact CD1-CB 3.99Å; I40-R60 HydrophobicContact CD1-CG 3.72Å; W41-R60 PolarHBondContact O-NH1 3.02Å; S42-R60 VanDerWaalsContact O-CZ 3.3Å; S42-R60 PolarHBondContact O-NH1 2.83Å; S42-R60 PolarHBondContact O-NH2 2.86Å; R60-T62 HydrophobicContact CG-CG2 4.43Å; R60-M66 CarbonylContact C-O 3.5Å; R60-M66 VanDerWaalsContact CA-O 3.25Å; R60-M66 WeakPolarHBondContact CA-O 3.37Å; R60-V67 HydrophobicContact CB-CG2 4.32Å
61D95.8Very high93.8Very high43 Ų4354.7 Ų54.723%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-109.2106.1167.3-176.7-19.8000107.8S63 K64 N65 M66D61-S63 VanDerWaalsContact C-N 3.29Å; D61-S63 PolarHBondContact O-N 3.06Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.99Å; D61-S63 PolarHBondContact OD1-OG 2.86Å; D61-K64 HydrophobicContact CB-CB 4.48Å; D61-K64 PolarHBondContact O-N 3.01Å; D61-K64 PolarHBondContact OD1-N 2.86Å; D61-K64 VanDerWaalsContact OD2-CD 3.27Å; D61-K64 WeakPolarHBondContact OD2-CD 3.47Å; D61-K64 WeakPolarHBondContact OD2-CE 3.31Å; D61-K64 IonicContact OD2-NZ 3.11Å; D61-K64 PolarHBondContact OD2-NZ 3.32Å; D61-K64 VanDerWaalsContact OD2-NZ 3.11Å; D61-N65 PolarHBondContact O-N 3.03Å; D61-M66 HydrophobicContact CB-CB 4.37Å; D61-M66 HydrophobicContact CB-CE 4.4Å; D61-M66 PolarHBondContact N-O 3.25Å; D61-M66 PolarHBondContact O-N 3.45Å
62T95.4Very high93.8Very high75 Ų7552.6 Ų52.646%0.4628%0.284SS..THydrogen-bonded Turntrans-71.7-24-177.456.70000112.5V18 T19 R60 K64V18-T62 HydrophobicContact CG2-CG2 4.07Å; T19-T62 HydrophobicContact CG2-CG2 3.46Å; T19-T62 VanDerWaalsContact CG2-CG2 3.46Å; R60-T62 HydrophobicContact CG-CG2 4.43Å; T62-K64 VanDerWaalsContact C-N 3.3Å
63S95.6Very high93.5Very high96 Ų9656.3 Ų56.367%0.67131%0.307SS*.THydrogen-bonded Turntrans-72.7-27.7178.273.90000112.2D61D61-S63 VanDerWaalsContact C-N 3.29Å; D61-S63 PolarHBondContact O-N 3.06Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.99Å; D61-S63 PolarHBondContact OD1-OG 2.86Å
64K94.9Very high92.9Very high118 Ų11850.4 Ų50.451%0.51328%0.279SS..THydrogen-bonded Turntrans-108.9-3-177.6-62.6178.8-166142.60114D61 T62 M66D61-K64 HydrophobicContact CB-CB 4.48Å; D61-K64 PolarHBondContact O-N 3.01Å; D61-K64 PolarHBondContact OD1-N 2.86Å; D61-K64 VanDerWaalsContact OD2-CD 3.27Å; D61-K64 WeakPolarHBondContact OD2-CD 3.47Å; D61-K64 WeakPolarHBondContact OD2-CE 3.31Å; D61-K64 IonicContact OD2-NZ 3.11Å; D61-K64 PolarHBondContact OD2-NZ 3.32Å; D61-K64 VanDerWaalsContact OD2-NZ 3.11Å; T62-K64 VanDerWaalsContact C-N 3.3Å; K64-M66 VanDerWaalsContact C-N 3.28Å; K64-M66 HydrophobicContact CB-CB 4.12Å; K64-M66 PolarHBondContact O-N 3.17Å
65N94.3Very high92.2Very high48 Ų4849.5 Ų49.526%0.25726%0.258SS..THydrogen-bonded Turntrans48.753-168.3-63.8-46.6000111.2V14 Y16 S17 V18 D61V14-N65 HydrophobicContact CG2-CB 4.21Å; V14-N65 WeakPolarHBondContact CG2-O 3.37Å; V14-N65 PolarHBondContact N-O 2.7Å; V14-N65 WeakPolarHBondContact O-CB 3.39Å; Y16-N65 WeakPolarHBondContact O-CB 3.34Å; S17-N65 WeakPolarHBondContact CA-OD1 3.47Å; V18-N65 HydrophobicContact CG1-CB 4.37Å; D61-N65 PolarHBondContact O-N 3.03Å
66M95.1Very high91.3Very high43 Ų4351.1 Ų51.121%0.21227%0.271CS..EExtended strand (participates in β ladder)trans-121.9139.8-176-171.317568.400110.1C12 R60 D61 K64C12-M66 CarbonylContact O-C 3.58Å; C12-M66 WeakPolarHBondContact O-CA 3.26Å; R60-M66 CarbonylContact C-O 3.5Å; R60-M66 VanDerWaalsContact CA-O 3.25Å; R60-M66 WeakPolarHBondContact CA-O 3.37Å; D61-M66 HydrophobicContact CB-CB 4.37Å; D61-M66 HydrophobicContact CB-CE 4.4Å; D61-M66 PolarHBondContact N-O 3.25Å; D61-M66 PolarHBondContact O-N 3.45Å; K64-M66 VanDerWaalsContact C-N 3.28Å; K64-M66 HydrophobicContact CB-CB 4.12Å; K64-M66 PolarHBondContact O-N 3.17Å
67V95.5Very high90.3Very high0 Ų058.1 Ų58.10%030%0.304CS..EExtended strand (participates in β ladder)trans-121.5133.5175.7-175.40000108.3C12 V18 T23 W25 I40 I58 T59 R60C12-V67 PolarHBondContact N-O 2.81Å; C12-V67 PolarHBondContact O-N 2Å; V18-V67 HydrophobicContact CB-CG2 4.47Å; V18-V67 HydrophobicContact CG1-CG2 3.74Å; T23-V67 HydrophobicContact CG2-CB 4.12Å; T23-V67 HydrophobicContact CG2-CG1 4.18Å; T23-V67 HydrophobicContact CG2-CG2 3.88Å; W25-V67 WeakPolarHBondContact CZ2-O 3.34Å; I40-V67 HydrophobicContact CG2-CG1 3.67Å; I40-V67 HydrophobicContact CG2-CG2 4.43Å; I58-V67 HydrophobicContact CG2-CG1 3.83Å; T59-V67 CarbonylContact O-C 3.51Å; T59-V67 WeakPolarHBondContact O-CA 3.29Å; T59-V67 WeakPolarHBondContact O-CG1 3.17Å; R60-V67 HydrophobicContact CB-CG2 4.32Å
68T95.9Very high89.3Confident18 Ų1854 Ų5411%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-119.3133.9-175.2-56.70000109.9T9 I10 S11 I58 T59T9-T68 HydrophobicContact CG2-CG2 3.54Å; I10-T68 CarbonylContact O-C 3.56Å; I10-T68 VanDerWaalsContact O-CA 3.26Å; I10-T68 WeakPolarHBondContact O-CA 3.31Å; S11-T68 PolarHBondContact OG-OG1 2.8Å; I58-T68 CarbonylContact C-O 3.59Å; I58-T68 VanDerWaalsContact CA-O 3.31Å; I58-T68 WeakPolarHBondContact CA-O 3.33Å; T59-T68 PolarHBondContact N-O 2.77Å; T59-T68 PolarHBondContact O-N 2.7Å
69L95.2Very high88.6Confident1 Ų155.6 Ų55.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-104.3124.2167.3174.970000108.4T9 I10 W25 M37 I56 I58 Y82T9-L69 CarbonylContact C-O 3.57Å; T9-L69 WeakPolarHBondContact CA-O 3.49Å; I10-L69 HydrophobicContact CD1-CD2 4.29Å; I10-L69 PolarHBondContact N-O 2.82Å; I10-L69 PolarHBondContact O-N 3.27Å; W25-L69 HydrophobicContact CB-CD2 4.49Å; W25-L69 HydrophobicContact CD2-CB 3.63Å; W25-L69 HydrophobicContact CD2-CD2 4.04Å; W25-L69 HydrophobicContact CD2-CG 4.35Å; W25-L69 VanDerWaalsContact CE2-CB 3.45Å; W25-L69 HydrophobicContact CE3-CB 4.03Å; W25-L69 HydrophobicContact CE3-CD2 3.9Å; W25-L69 HydrophobicContact CG-CB 4.07Å; W25-L69 HydrophobicContact CG-CD1 4.4Å; W25-L69 HydrophobicContact CG-CD2 4.31Å; W25-L69 HydrophobicContact CH2-CB 4.04Å; W25-L69 HydrophobicContact CZ2-CB 3.67Å; W25-L69 HydrophobicContact CZ3-CB 4.22Å; W25-L69 HydrophobicContact CZ3-CD2 4.41Å; M37-L69 HydrophobicContact CE-CD2 4.01Å; M37-L69 HydrophobicContact SD-CD2 4Å; I56-L69 HydrophobicContact CB-CD1 3.95Å; I56-L69 HydrophobicContact CD1-CD1 4.22Å; I56-L69 HydrophobicContact CG2-CD1 4.14Å; I58-L69 HydrophobicContact CG1-CD1 3.82Å; L69-Y82 HydrophobicContact CD2-CD1 3.97Å; L69-Y82 HydrophobicContact CD2-CE1 4.14Å
70R94.2Very high88.2Confident118 Ų11853 Ų5345%0.44528%0.281SS..EExtended strand (participates in β ladder)trans-109.3124.9167.8-174.9-177178.9174.73.6108.4T7 L8 I56 E57T7-R70 HydrophobicContact CG2-CG 3.54Å; L8-R70 CarbonylContact O-C 3.57Å; L8-R70 WeakPolarHBondContact O-CA 3.37Å; I56-R70 CarbonylContact C-O 3.44Å; I56-R70 WeakPolarHBondContact CA-O 3.31Å; E57-R70 HydrophobicContact CB-CB 4.28Å; E57-R70 PolarHBondContact N-O 3.21Å; E57-R70 PolarHBondContact O-N 2.81Å
71L91.3Very high87.9Confident1 Ų151.1 Ų51.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-119.2115.5177.8171.665.7000108.8T7 L8 R55 I56 M74 E78T7-L71 CarbonylContact C-O 3.46Å; T7-L71 WeakPolarHBondContact CA-O 3.36Å; L8-L71 HydrophobicContact CB-CB 4.43Å; L8-L71 PolarHBondContact N-O 2.81Å; L8-L71 PolarHBondContact O-N 3.48Å; R55-L71 HydrophobicContact CB-CD1 4.13Å; I56-L71 HydrophobicContact CG2-CB 4.14Å; I56-L71 HydrophobicContact CG2-CD1 3.36Å; I56-L71 HydrophobicContact CG2-CG 4.31Å; L71-M74 HydrophobicContact CD2-CG 4.35Å; L71-E78 HydrophobicContact CD2-CB 3.99Å; L71-E78 HydrophobicContact CD2-CG 3.93Å
72S88.9Confident87.5Confident44 Ų4449 Ų4931%0.30827%0.265SS..SBendtrans-80.7151.4176.5-56.60000110.7R55R55-S72 WeakPolarHBondContact O-CB 3.02Å; R55-S72 PolarHBondContact O-N 2.91Å
73T81.5Confident87.2Confident78 Ų7846.7 Ų46.748%0.47925%0.248SC..SBendtrans49.766.8175.5600000112.6T75T73-T75 PolarHBondContact O-N 2.83Å
74M76.7Confident87Confident2 Ų242.2 Ų42.21%0.0122%0.217CC..  trans-58.5130.9173.2-82-159.796.800110.9V2 G5 Q6 L8 L71 E78 V106V2-M74 HydrophobicContact CB-SD 3.88Å; V2-M74 HydrophobicContact CG1-SD 3.62Å; V2-M74 HydrophobicContact CG2-SD 4.34Å; G5-M74 PolarHBondContact N-O 2.81Å; Q6-M74 PolarHBondContact O-N 2.9Å; L8-M74 HydrophobicContact CB-CE 4.35Å; L8-M74 HydrophobicContact CB-CG 3.86Å; L8-M74 HydrophobicContact CB-SD 3.54Å; L8-M74 VanDerWaalsContact CB-SD 3.54Å; L8-M74 HydrophobicContact CD2-CE 3.63Å; L8-M74 HydrophobicContact CD2-SD 3.89Å; L8-M74 HydrophobicContact CG-SD 4.18Å; L71-M74 HydrophobicContact CD2-CG 4.35Å; M74-E78 HydrophobicContact CE-CB 3.97Å; M74-V106 HydrophobicContact CB-CG2 4.47Å; M74-V106 HydrophobicContact CE-CG2 3.2Å; M74-V106 HydrophobicContact SD-CG2 3.75Å
75T76.2Confident86.7Confident58 Ų5836.6 Ų36.636%0.35619%0.193SC..  trans-111.5166.8167.964.40000109.4T73 E77 E78T73-T75 PolarHBondContact O-N 2.83Å; T75-E77 PolarHBondContact O-N 3.4Å; T75-E77 VanDerWaalsContact O-N 3.17Å; T75-E78 WeakPolarHBondContact O-CB 3.22Å; T75-E78 PolarHBondContact O-N 3.42Å
76L71.9Confident86.5Confident101 Ų10136.8 Ų36.853%0.52919%0.191SC..G310 helixtrans-54.8-33.1175.7-80.1158.3000112.6E78 S79L76-E78 PolarHBondContact O-N 3.2Å; L76-S79 VanDerWaalsContact O-CB 3.32Å; L76-S79 WeakPolarHBondContact O-CB 3.35Å; L76-S79 PolarHBondContact O-N 3.26Å; L76-S79 VanDerWaalsContact O-N 3.08Å; L76-S79 PolarHBondContact O-OG 2.88Å
77E72.3Confident85.9Confident158 Ų15836.5 Ų36.574%0.73819%0.19SC*.G310 helixtrans-67.2-12.5177.2-58.2-174.1168.500114.1R27 T75 S79R27-E77 PolarHBondContact NH1-O 2.85Å; R27-E77 VanDerWaalsContact NH1-O 3.07Å; T75-E77 PolarHBondContact O-N 3.4Å; T75-E77 VanDerWaalsContact O-N 3.17Å; E77-S79 VanDerWaalsContact C-N 3.34Å
78E74.9Confident84.9Confident3 Ų339.6 Ų39.61%0.01421%0.209CC..G310 helixtrans-90.72.6174.9-59.3-67.8162.100112.4R27 R55 L71 M74 T75 L76 A80 Y82R27-E78 IonicContact CZ-OE2 3.59Å; R27-E78 IonicContact NH1-OE1 3.44Å; R27-E78 PolarHBondContact NH1-OE1 2.85Å; R27-E78 IonicContact NH1-OE2 2.65Å; R27-E78 PolarHBondContact NH1-OE2 2.88Å; R55-E78 IonicContact CZ-OE1 3.32Å; R55-E78 VanDerWaalsContact CZ-OE1 3.32Å; R55-E78 IonicContact NH1-OE1 2.78Å; R55-E78 PolarHBondContact NH1-OE1 2.98Å; R55-E78 IonicContact NH2-OE1 2.91Å; R55-E78 PolarHBondContact NH2-OE1 2.83Å; L71-E78 HydrophobicContact CD2-CB 3.99Å; L71-E78 HydrophobicContact CD2-CG 3.93Å; M74-E78 HydrophobicContact CE-CB 3.97Å; T75-E78 WeakPolarHBondContact O-CB 3.22Å; T75-E78 PolarHBondContact O-N 3.42Å; L76-E78 PolarHBondContact O-N 3.2Å; E78-A80 PolarHBondContact O-N 3.44Å; E78-A80 VanDerWaalsContact O-N 3.14Å; E78-Y82 PolarHBondContact O-OH 2.83Å
79S83.3Confident83Confident37 Ų3747.9 Ų47.926%0.25925%0.247SC..  trans-69.7105.5169.7-69.20000110.7L76 E77 V106L76-S79 VanDerWaalsContact O-CB 3.32Å; L76-S79 WeakPolarHBondContact O-CB 3.35Å; L76-S79 PolarHBondContact O-N 3.26Å; L76-S79 VanDerWaalsContact O-N 3.08Å; L76-S79 PolarHBondContact O-OG 2.88Å; E77-S79 VanDerWaalsContact C-N 3.34Å; S79-V106 WeakPolarHBondContact OG-CB 3.46Å; S79-V106 PolarHBondContact OG-N 2.6Å; S79-V106 VanDerWaalsContact OG-N 3.14Å
80A87.4Confident80.7Confident6 Ų659.3 Ų59.35%0.0529%0.29CS..EExtended strand (participates in β ladder)trans-154.6165-174.300000111.1R27 Q28 P29 E78 Y82R27-A80 HydrophobicContact CB-CB 3.93Å; Q28-A80 WeakPolarHBondContact O-CA 3.44Å; Q28-A80 WeakPolarHBondContact O-CB 3.11Å; P29-A80 HydrophobicContact CG-CB 4.44Å; E78-A80 PolarHBondContact O-N 3.44Å; E78-A80 VanDerWaalsContact O-N 3.14Å; A80-Y82 HydrophobicContact CB-CE2 4.1Å; A80-Y82 VanDerWaalsContact O-CD2 3.29Å; A80-Y82 WeakPolarHBondContact O-CD2 3.14Å; A80-Y82 WeakPolarHBondContact O-CE2 3.33Å
81V88.7Confident78.5Confident25 Ų2562.4 Ų62.415%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-83.7129.6162.1-177.10000108.5R27 Q28 Y83 R101R27-V81 CarbonylContact C-O 3.45Å; R27-V81 VanDerWaalsContact CA-O 3.31Å; R27-V81 WeakPolarHBondContact CA-O 3.5Å; Q28-V81 HydrophobicContact CB-CB 4.47Å; Q28-V81 PolarHBondContact N-O 3.37Å; Q28-V81 PolarHBondContact O-N 3.14Å; V81-Y83 HydrophobicContact CB-CE2 4.05Å; V81-Y83 HydrophobicContact CG1-CD2 4.47Å; V81-Y83 HydrophobicContact CG1-CE1 3.88Å; V81-Y83 HydrophobicContact CG1-CE2 3.73Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.45Å; V81-R101 HydrophobicContact CG1-CG 3.42Å; V81-R101 VanDerWaalsContact CG1-CG 3.42Å
82Y89.4Confident76.5Confident0 Ų068 Ų680%034%0.336CS..EExtended strand (participates in β ladder)trans-103.8142.1-179.5-67.4-98.8000110.7L8 I10 R27 M37 L69 E78 A80 M102 F104L8-Y82 HydrophobicContact CD2-CE2 4.13Å; I10-Y82 HydrophobicContact CD1-CD1 3.57Å; I10-Y82 HydrophobicContact CD1-CD2 3.73Å; I10-Y82 HydrophobicContact CD1-CE1 4.06Å; I10-Y82 HydrophobicContact CD1-CE2 4.22Å; I10-Y82 HydrophobicContact CD1-CG 3.38Å; R27-Y82 HydrophobicContact CB-CD1 4.02Å; R27-Y82 HydrophobicContact CB-CE1 4Å; M37-Y82 HydrophobicContact CE-CE1 4.05Å; M37-Y82 HydrophobicContact SD-CD1 3.94Å; M37-Y82 HydrophobicContact SD-CE1 3.75Å; L69-Y82 HydrophobicContact CD2-CD1 3.97Å; L69-Y82 HydrophobicContact CD2-CE1 4.14Å; E78-Y82 PolarHBondContact O-OH 2.83Å; A80-Y82 HydrophobicContact CB-CE2 4.1Å; A80-Y82 VanDerWaalsContact O-CD2 3.29Å; A80-Y82 WeakPolarHBondContact O-CD2 3.14Å; A80-Y82 WeakPolarHBondContact O-CE2 3.33Å; Y82-M102 PolarHBondContact N-O 2.99Å; Y82-M102 PolarHBondContact O-N 3.43Å; Y82-F104 HydrophobicContact CD2-CD2 4.07Å
83Y88.8Confident74.4Confident26 Ų2674 Ų7410%0.10236%0.357CS..EExtended strand (participates in β ladder)trans-132.6135.9-179.5-53.7-85000110.2W25 I26 Q28 L34 V81 K99 R101W25-Y83 WeakPolarHBondContact CA-O 3.18Å; I26-Y83 PolarHBondContact N-O 2.88Å; I26-Y83 PolarHBondContact O-N 2.94Å; Q28-Y83 HydrophobicContact CB-CE2 3.84Å; Q28-Y83 PolarHBondContact OE1-OH 3.03Å; L34-Y83 HydrophobicContact CD2-CD2 3.79Å; L34-Y83 HydrophobicContact CD2-CE2 3.62Å; V81-Y83 HydrophobicContact CB-CE2 4.05Å; V81-Y83 HydrophobicContact CG1-CD2 4.47Å; V81-Y83 HydrophobicContact CG1-CE1 3.88Å; V81-Y83 HydrophobicContact CG1-CE2 3.73Å; V81-Y83 VanDerWaalsContact CG1-CZ 3.4Å; V81-Y83 WeakPolarHBondContact CG1-OH 3.45Å; Y83-K99 HydrophobicContact CD1-CB 4.08Å; Y83-K99 HydrophobicContact CD1-CD 4.31Å; Y83-K99 HydrophobicContact CD1-CG 4.5Å; Y83-R101 HydrophobicContact CD1-CB 4.35Å; Y83-R101 HydrophobicContact CE1-CB 4Å; Y83-R101 HydrophobicContact CE1-CG 3.88Å
84C90.4Very high72.8Confident2 Ų274.5 Ų74.51%0.01436%0.356CS..EExtended strand (participates in β ladder)trans-99.5146.8161.154.80000109.6C12 T23 H24 Q100C12-C84 HydrophobicContact CB-CB 3.42Å; C12-C84 VanDerWaalsContact CB-CB 3.42Å; C12-C84 WeakPolarHBondContact CB-SG 3.47Å; C12-C84 WeakPolarHBondContact SG-CB 3.35Å; C12-C84 CovalentContact SG-SG 2Å; C12-C84 PolarHBondContact SG-SG 2.84Å; T23-C84 HydrophobicContact CG2-CB 4.28Å; H24-C84 CarbonylContact O-C 3.59Å; H24-C84 VanDerWaalsContact O-CA 3.27Å; H24-C84 WeakPolarHBondContact O-CA 3.47Å; C84-Q100 VanDerWaalsContact SG-CB 3.52Å
85A88.9Confident71.2Confident0 Ų080.1 Ų80.10%039%0.39CS..EExtended strand (participates in β ladder)trans-148.3126.2-169.700000112T23 H24 I26 Y97T23-A85 CarbonylContact C-O 3.55Å; T23-A85 WeakPolarHBondContact CA-O 3.46Å; H24-A85 HydrophobicContact CB-CB 4.19Å; H24-A85 PolarHBondContact N-O 2.8Å; H24-A85 PolarHBondContact O-N 2.86Å; I26-A85 HydrophobicContact CD1-CB 4.08Å; A85-Y97 HydrophobicContact CB-CD1 3.43Å; A85-Y97 VanDerWaalsContact CB-CD1 3.43Å; A85-Y97 HydrophobicContact CB-CD2 4.21Å; A85-Y97 HydrophobicContact CB-CE1 4.04Å; A85-Y97 HydrophobicContact CB-CG 3.5Å
86K89.4Confident69.6Low52 Ų5283 Ų8323%0.22641%0.408CS..EExtended strand (participates in β ladder)trans-65.2131.8174.6-169.3177.468.8172.90111.4Y16 Y21 T88 Y97Y16-K86 HydrophobicContact CD1-CB 4.17Å; Y16-K86 HydrophobicContact CD1-CD 3.63Å; Y16-K86 HydrophobicContact CD1-CG 4.02Å; Y16-K86 HydrophobicContact CD2-CD 4.06Å; Y16-K86 HydrophobicContact CD2-CG 4.18Å; Y16-K86 HydrophobicContact CE1-CB 3.5Å; Y16-K86 HydrophobicContact CE1-CD 3.86Å; Y16-K86 HydrophobicContact CE1-CG 3.72Å; Y16-K86 HydrophobicContact CE2-CB 4.4Å; Y16-K86 HydrophobicContact CE2-CD 4.3Å; Y16-K86 HydrophobicContact CE2-CG 3.91Å; Y16-K86 HydrophobicContact CG-CD 3.73Å; Y16-K86 HydrophobicContact CG-CG 4.24Å; Y16-K86 WeakPolarHBondContact OH-CA 3.37Å; Y21-K86 HydrophobicContact CD1-CD 4.07Å; Y21-K86 HydrophobicContact CD1-CG 4.19Å; Y21-K86 HydrophobicContact CD2-CD 4.06Å; Y21-K86 HydrophobicContact CG-CD 3.83Å; Y21-K86 HydrophobicContact CG-CG 3.93Å; K86-T88 PolarHBondContact O-N 2.71Å; K86-Y97 WeakPolarHBondContact O-CD1 3.36Å
87N83.9Confident68.7Low36 Ų3681.4 Ų81.419%0.19340%0.396CS..  trans-68.4116.4167.3-173.4-93.7000109.1Y21 G22 H24 W41Y21-N87 WeakPolarHBondContact CD1-O 3.32Å; G22-N87 WeakPolarHBondContact O-CB 3.23Å; G22-N87 PolarHBondContact O-N 3.4Å; H24-N87 WeakPolarHBondContact NE2-CB 3.2Å; H24-N87 PolarHBondContact NE2-ND2 2.76Å; W41-N87 HydrophobicContact CZ3-CB 4.46Å
88T74.4Confident67.8Low65 Ų6578.7 Ų78.740%0.39939%0.39SS..  trans-110.1142.816755.50000107K86 W90K86-T88 PolarHBondContact O-N 2.71Å; T88-W90 PolarHBondContact O-N 3.45Å
89Q56.2Low66.9Low193 Ų19382.2 Ų82.290%0.90241%0.405SS*.SBendtrans-65.425.5-168-78.7-125.923.100115.8
90W45.8Very low65.8Low240 Ų24085.6 Ų85.691%0.90942%0.416SS*.SBendtrans-139.2109.7-178.4-131.358000110.8T88T88-W90 PolarHBondContact O-N 3.45Å
91F47.6Very low64.7Low183 Ų18393.1 Ų93.180%0.80344%0.443SS*.  trans-65.9142.5-177.1-104.6-94.8000112.1
92I49.7Very low63.8Low120 Ų12093.4 Ų93.462%0.61544%0.444SS*.  trans78.991.8155.4-49.4149.8000115.5
93F45Very low62.6Low170 Ų17097.3 Ų97.375%0.74647%0.47SS*.  175.2144.3116.8-83-66.9000106.6T95F93-T95 PolarHBondContact O-N 3.43Å
94L47.8Very low61.2Low87 Ų8799.6 Ų99.646%0.45548%0.481SS..THydrogen-bonded Turntrans-69.633.2-166.4-72.4160.3000115.2L34 Y97 K99L34-L94 HydrophobicContact CB-CD1 3.99Å; L34-L94 HydrophobicContact CB-CD2 4.07Å; L34-L94 HydrophobicContact CD1-CB 4.12Å; L34-L94 HydrophobicContact CD1-CD1 3.9Å; L34-L94 HydrophobicContact CD1-CD2 3.53Å; L34-L94 HydrophobicContact CD1-CG 4.03Å; L34-L94 HydrophobicContact CG-CD1 4.44Å; L34-L94 HydrophobicContact CG-CD2 4.4Å; L94-Y97 HydrophobicContact CD2-CE2 4.44Å; L94-K99 PolarHBondContact O-NZ 3Å
95T42.3Very low59.5Low120 Ų120102.6 Ų102.674%0.73650%0.502SS*.THydrogen-bonded Turntrans-114.5-12.1-169.137.90000115.8F93F93-T95 PolarHBondContact O-N 3.43Å
96T44.2Very low57.8Low119 Ų119103.3 Ų103.373%0.7351%0.506SS*.  trans-142.146.8-176.8-15.70000115.1
97Y51.5Low55.9Low68 Ų68103 Ų10327%0.26751%0.511SS..SBendtrans-86.5141.6157.6-62.9-72.3000108.5I26 A85 K86 L94 K99I26-Y97 HydrophobicContact CD1-CD2 4.47Å; I26-Y97 HydrophobicContact CD1-CE2 4.29Å; A85-Y97 HydrophobicContact CB-CD1 3.43Å; A85-Y97 VanDerWaalsContact CB-CD1 3.43Å; A85-Y97 HydrophobicContact CB-CD2 4.21Å; A85-Y97 HydrophobicContact CB-CE1 4.04Å; A85-Y97 HydrophobicContact CB-CG 3.5Å; K86-Y97 WeakPolarHBondContact O-CD1 3.36Å; L94-Y97 HydrophobicContact CD2-CE2 4.44Å; Y97-K99 WeakPolarHBondContact O-CG 3.25Å; Y97-K99 PolarHBondContact O-N 3.06Å
98V53.4Low54.1Low101 Ų101111.1 Ų111.161%0.61255%0.547SS*.  trans-66.395.4157.81800000105.3
99K57Low53.1Low77 Ų77113.5 Ų113.534%0.33556%0.555SS.*  trans-93111.7-174.7-67.1-177.3-170.6175.20108.9Y83 L94 Y97Y83-K99 HydrophobicContact CD1-CB 4.08Å; Y83-K99 HydrophobicContact CD1-CD 4.31Å; Y83-K99 HydrophobicContact CD1-CG 4.5Å; L94-K99 PolarHBondContact O-NZ 3Å; Y97-K99 WeakPolarHBondContact O-CG 3.25Å; Y97-K99 PolarHBondContact O-N 3.06Å
100Q59.5Low52.9Low107 Ų107109.3 Ų109.350%0.554%0.536SS..EExtended strand (participates in β ladder)trans-82.6119161.2-158.485.736.300107.4C84C84-Q100 VanDerWaalsContact SG-CB 3.52Å
101R64.3Low53.3Low164 Ų164102 Ų10262%0.61952%0.516SS*.EExtended strand (participates in β ladder)trans-86.5126.4177.3-174.9179.5176.8-177.6-0.4109.6V81 Y83 C103V81-R101 HydrophobicContact CG1-CG 3.42Å; V81-R101 VanDerWaalsContact CG1-CG 3.42Å; Y83-R101 HydrophobicContact CD1-CB 4.35Å; Y83-R101 HydrophobicContact CE1-CB 4Å; Y83-R101 HydrophobicContact CE1-CG 3.88Å; R101-C103 PolarHBondContact NE-SG 3.35Å
102M69.9Low53.7Low32 Ų3297.2 Ų97.216%0.15850%0.499CS..EExtended strand (participates in β ladder)trans-125.5123.7170.3-65.2173.8-79.300109.5I10 C12 W25 Y82 F104I10-M102 HydrophobicContact CG2-CB 4.34Å; I10-M102 HydrophobicContact CG2-CE 3.47Å; I10-M102 VanDerWaalsContact CG2-CE 3.47Å; I10-M102 HydrophobicContact CG2-CG 4.5Å; I10-M102 HydrophobicContact CG2-SD 3.33Å; I10-M102 WeakPolarHBondContact CG2-SD 3.39Å; C12-M102 HydrophobicContact CB-CE 3.95Å; W25-M102 HydrophobicContact CH2-CE 3.6Å; W25-M102 HydrophobicContact CZ3-CE 3.66Å; Y82-M102 PolarHBondContact N-O 2.99Å; Y82-M102 PolarHBondContact O-N 3.43Å; M102-F104 HydrophobicContact CB-CD2 4.36Å; M102-F104 HydrophobicContact CB-CE2 3.69Å; M102-F104 HydrophobicContact CB-CZ 4.5Å
103C64.6Low53.9Low81 Ų8195.8 Ų95.855%0.54749%0.491SS..EExtended strand (participates in β ladder)trans-100.8124.5-175.9-65.60000110.1R101R101-C103 PolarHBondContact NE-SG 3.35Å
104F58.9Low54.5Low75 Ų7590.9 Ų90.933%0.32948%0.475SS..  trans-133.1139.9173.9-64-82.4000110.5L8 I10 Y82 M102L8-F104 HydrophobicContact CD1-CD1 4.09Å; L8-F104 HydrophobicContact CD1-CE1 4.3Å; L8-F104 HydrophobicContact CD1-CG 4.3Å; I10-F104 HydrophobicContact CB-CE2 4.39Å; I10-F104 HydrophobicContact CD1-CD2 3.95Å; I10-F104 HydrophobicContact CD1-CE2 3.85Å; I10-F104 HydrophobicContact CG1-CD2 4.37Å; I10-F104 HydrophobicContact CG1-CE2 3.89Å; I10-F104 HydrophobicContact CG1-CZ 4.39Å; I10-F104 HydrophobicContact CG2-CE2 3.7Å; I10-F104 HydrophobicContact CG2-CZ 4.18Å; Y82-F104 HydrophobicContact CD2-CD2 4.07Å; M102-F104 HydrophobicContact CB-CD2 4.36Å; M102-F104 HydrophobicContact CB-CE2 3.69Å; M102-F104 HydrophobicContact CB-CZ 4.5Å
105S56.1Low55Low65 Ų6591.1 Ų91.146%0.45548%0.476SS..  trans-122.8137.6173.653.90000110T1 V2T1-S105 CarbonylContact C-O 3.52Å; T1-S105 WeakPolarHBondContact CA-O 3.42Å; V2-S105 PolarHBondContact N-O 3.47Å; V2-S105 VanDerWaalsContact N-O 3.07Å
106V52.8Low56Low15 Ų1588.9 Ų88.99%0.09146%0.456CS..EExtended strand (participates in β ladder)trans-92.1134.7170.5-1760000107.9V2 M74 S79V2-V106 VanDerWaalsContact O-CA 3.27Å; V2-V106 WeakPolarHBondContact O-CA 3.27Å; V2-V106 VanDerWaalsContact O-CG1 3.24Å; V2-V106 WeakPolarHBondContact O-CG1 3.4Å; M74-V106 HydrophobicContact CB-CG2 4.47Å; M74-V106 HydrophobicContact CE-CG2 3.2Å; M74-V106 HydrophobicContact SD-CG2 3.75Å; S79-V106 WeakPolarHBondContact OG-CB 3.46Å; S79-V106 PolarHBondContact OG-N 2.6Å; S79-V106 VanDerWaalsContact OG-N 3.14Å
107S48.3Very low57Low46 Ų4686.4 Ų86.432%0.32243%0.433SS..EExtended strand (participates in β ladder)trans-111.1152.817156.70000109.9V2V2-S107 PolarHBondContact O-N 3.11Å
108E47.2Very low57.5Low206 Ų20688.1 Ų88.196%0.96345%0.448SS*.  trans-59.30172-65.2-177.916300112.3

Retrieved 108 of 108 residues in 925 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).