X5J5K5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 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
1G50Low74.2Confident115 Ų11571.5 Ų71.5100%1.18648%0.479SS*.  0163.5000000109.3G3G1-G3 VanDerWaalsContact C-N 3.29Å; G1-G3 PolarHBondContact O-N 3.25Å
2P52.4Low75.8Confident57 Ų5771.8 Ų71.837%0.3748%0.483SS..  trans-73.789.5165.732.3-25000105.1T105P2-T105 VanDerWaalsContact CD-CG2 3.48Å; P2-T105 HydrophobicContact CG-CG2 3.43Å; P2-T105 VanDerWaalsContact CG-CG2 3.43Å
3G69.6Low77.2Confident48 Ų4866.8 Ų66.850%0.49545%0.449SS..  85.5113.165.300000105.8G1 V5G1-G3 VanDerWaalsContact C-N 3.29Å; G1-G3 PolarHBondContact O-N 3.25Å; G3-V5 WeakPolarHBondContact O-CG1 3.44Å; G3-V5 PolarHBondContact O-N 3.29Å
4L69.1Low78.6Confident126 Ų12666.9 Ų66.966%0.6645%0.447SS*.  trans-45.5124.9177.9-177.170.6000110.1T108 S110L4-T108 HydrophobicContact CD1-CG2 3.95Å; L4-S110 WeakPolarHBondContact CD1-OG 3.44Å
5V76.6Confident79.6Confident17 Ų1763.3 Ų63.310%0.10342%0.422CS..BIsolated β-bridgetrans-114.3142-179.1-72.40000109.7G3 L78 V107 T108 V109 S110G3-V5 WeakPolarHBondContact O-CG1 3.44Å; G3-V5 PolarHBondContact O-N 3.29Å; V5-L78 HydrophobicContact CB-CD1 3.9Å; V5-L78 HydrophobicContact CG1-CD1 4.42Å; V5-L78 HydrophobicContact CG2-CD1 3.56Å; V5-V107 HydrophobicContact CG2-CG1 3.74Å; V5-T108 WeakPolarHBondContact CG2-O 3.44Å; V5-T108 PolarHBondContact N-O 2.59Å; V5-T108 VanDerWaalsContact N-O 3.13Å; V5-V109 HydrophobicContact CG2-CB 4.36Å; V5-V109 HydrophobicContact CG2-CG2 3.82Å; V5-V109 WeakPolarHBondContact O-CA 3.45Å; V5-S110 PolarHBondContact O-N 3.19Å
6Q78.9Confident80.6Confident112 Ų11265.1 Ų65.152%0.52343%0.431SS..  trans-84.1155.2176.4-71.7-176.3-1800111.1Q9Q6-Q9 HydrophobicContact CB-CG 4.13Å; Q6-Q9 VanDerWaalsContact N-OE1 3.15Å; Q6-Q9 VanDerWaalsContact O-CB 3.32Å; Q6-Q9 WeakPolarHBondContact O-CB 3.14Å; Q6-Q9 PolarHBondContact O-N 3.01Å
7P76.3Confident81.2Confident55 Ų5562.1 Ų62.136%0.35741%0.411SS..THydrogen-bonded Turntrans-52.9149.7170.1-2533.7000111.6Q9 L78 V109 S110P7-Q9 PolarHBondContact O-N 2.84Å; P7-Q9 VanDerWaalsContact O-N 3.11Å; P7-L78 WeakPolarHBondContact CA-O 3.38Å; P7-V109 HydrophobicContact CG-CG1 4.35Å; P7-S110 WeakPolarHBondContact CD-O 3.2Å
8S77.9Confident81.6Confident101 Ų10164.6 Ų64.671%0.70643%0.43SS*.THydrogen-bonded Turntrans68.7-7.5-177-45.60000116.2L78S8-L78 PolarHBondContact N-O 3.39Å
9Q85.9Confident81.8Confident88 Ų8865.6 Ų65.641%0.41145%0.453SS..  trans-72.7169.7168.7-65.5-173-20.100111.4Q6 P7 S77 L78Q6-Q9 HydrophobicContact CB-CG 4.13Å; Q6-Q9 VanDerWaalsContact N-OE1 3.15Å; Q6-Q9 VanDerWaalsContact O-CB 3.32Å; Q6-Q9 WeakPolarHBondContact O-CB 3.14Å; Q6-Q9 PolarHBondContact O-N 3.01Å; P7-Q9 PolarHBondContact O-N 2.84Å; P7-Q9 VanDerWaalsContact O-N 3.11Å; Q9-S77 PolarHBondContact O-N 2.82Å; Q9-L78 WeakPolarHBondContact O-CG 3.06Å; Q9-L78 PolarHBondContact O-N 2.84Å; Q9-L78 VanDerWaalsContact O-N 3.11Å
10S88.9Confident82Confident63 Ų6364.2 Ų64.244%0.44144%0.438SS..  trans-104.4134.8173.9-57.10000110.3M75 N76S10-M75 CarbonylContact C-O 3.55Å; S10-M75 VanDerWaalsContact CA-O 3.27Å; S10-M75 WeakPolarHBondContact CA-O 3.46Å; S10-N76 PolarHBondContact OG-OD1 3.01Å
11L90.3Very high82.4Confident4 Ų463.6 Ų63.62%0.02144%0.435CS..EExtended strand (participates in β ladder)trans-91.8137.9169.5173.264.8000109.1I13 F73 K74 M75 L78 Y86 V107L11-I13 HydrophobicContact CD1-CD1 4.28Å; L11-I13 HydrophobicContact CD1-CG1 3.84Å; L11-I13 HydrophobicContact CD2-CD1 3.89Å; L11-I13 HydrophobicContact CD2-CG1 4.15Å; L11-I13 HydrophobicContact CG-CD1 4.19Å; L11-I13 HydrophobicContact CG-CG1 3.88Å; L11-F73 HydrophobicContact CD2-CE1 4.22Å; L11-K74 CarbonylContact O-C 3.57Å; L11-K74 VanDerWaalsContact O-CA 3.25Å; L11-K74 WeakPolarHBondContact O-CA 3.37Å; L11-K74 WeakPolarHBondContact O-CG 3.36Å; L11-M75 HydrophobicContact CB-CB 4.43Å; L11-M75 PolarHBondContact N-O 3.21Å; L11-M75 PolarHBondContact O-N 2.98Å; L11-L78 HydrophobicContact CB-CD1 3.84Å; L11-L78 HydrophobicContact CB-CD2 3.91Å; L11-L78 HydrophobicContact CB-CG 4.27Å; L11-L78 HydrophobicContact CD2-CD2 4.41Å; L11-Y86 HydrophobicContact CD2-CE1 4.4Å; L11-Y86 HydrophobicContact CD2-CE2 4.28Å; L11-V107 HydrophobicContact CD1-CG1 4.09Å; L11-V107 HydrophobicContact CD1-CG2 3.77Å; L11-V107 HydrophobicContact CD2-CB 4.43Å; L11-V107 HydrophobicContact CD2-CG1 4.1Å; L11-V107 HydrophobicContact CD2-CG2 3.93Å; L11-V107 HydrophobicContact CG-CG2 4.5Å
12S93.2Very high84.4Confident75 Ų7558.3 Ų58.352%0.52438%0.379SS..EExtended strand (participates in β ladder)trans-128.9123.1167.4-170.70000109.2F73S12-F73 CarbonylContact C-O 3.45Å; S12-F73 WeakPolarHBondContact CA-O 2.99Å
13I94.4Very high86.3Confident8 Ų859.6 Ų59.64%0.04139%0.387CS..EExtended strand (participates in β ladder)trans-118.5131.1176.5-53.7178.8000108.6L11 W29 F72 F73 Y86 V107L11-I13 HydrophobicContact CD1-CD1 4.28Å; L11-I13 HydrophobicContact CD1-CG1 3.84Å; L11-I13 HydrophobicContact CD2-CD1 3.89Å; L11-I13 HydrophobicContact CD2-CG1 4.15Å; L11-I13 HydrophobicContact CG-CD1 4.19Å; L11-I13 HydrophobicContact CG-CG1 3.88Å; I13-W29 HydrophobicContact CB-CH2 3.97Å; I13-W29 HydrophobicContact CB-CZ3 4.03Å; I13-W29 HydrophobicContact CG2-CH2 3.69Å; I13-W29 HydrophobicContact CG2-CZ3 3.73Å; I13-F72 WeakPolarHBondContact O-CA 3.41Å; I13-F73 HydrophobicContact CB-CD1 4.46Å; I13-F73 HydrophobicContact CD1-CD1 4.28Å; I13-F73 HydrophobicContact CG1-CD1 4.37Å; I13-F73 PolarHBondContact N-O 3.24Å; I13-F73 PolarHBondContact O-N 2.03Å; I13-Y86 VanDerWaalsContact CD1-CB 3.43Å; I13-Y86 HydrophobicContact CD1-CD1 4.17Å; I13-Y86 HydrophobicContact CD1-CD2 4.22Å; I13-Y86 HydrophobicContact CD1-CG 3.69Å; I13-V107 HydrophobicContact CD1-CG2 4.2Å
14T96.2Very high87.3Confident68 Ų6860.8 Ų60.842%0.41739%0.387SS..EExtended strand (participates in β ladder)trans-103.5124.7172.4-56.30000109.6Q70 F72T14-Q70 HydrophobicContact CG2-CB 4.13Å; T14-Q70 HydrophobicContact CG2-CG 3.86Å; T14-F72 HydrophobicContact CG2-CD1 3.97Å; T14-F72 HydrophobicContact CG2-CE1 3.67Å; T14-F72 WeakPolarHBondContact OG1-CD1 3.03Å
15C94.7Very high88.3Confident12 Ų1259.4 Ų59.48%0.08137%0.374CS..EExtended strand (participates in β ladder)trans-103.4109.8168.1177.60000109.1W29 Q70 V71 C88C15-W29 HydrophobicContact CB-CH2 3.66Å; C15-W29 HydrophobicContact CB-CZ2 3.76Å; C15-Q70 WeakPolarHBondContact O-CA 3.29Å; C15-V71 HydrophobicContact CB-CB 4.47Å; C15-V71 PolarHBondContact N-O 3.11Å; C15-V71 PolarHBondContact O-N 3.29Å; C15-C88 HydrophobicContact CB-CB 3.48Å; C15-C88 VanDerWaalsContact CB-CB 3.48Å; C15-C88 WeakPolarHBondContact CB-SG 3.46Å; C15-C88 WeakPolarHBondContact SG-CB 3.35Å; C15-C88 CovalentContact SG-SG 2.03Å; C15-C88 PolarHBondContact SG-SG 3.46Å
16T94.9Very high89Confident92 Ų9258.8 Ų58.856%0.56437%0.371SS*.EExtended strand (participates in β ladder)trans-85.7121.6170.4-54.30000108.5S69 Q70T16-S69 WeakPolarHBondContact CA-O 3.23Å; T16-Q70 HydrophobicContact CG2-CG 4.37Å; T16-Q70 PolarHBondContact OG1-NE2 2.78Å
17V90.8Very high89.7Confident14 Ų1453.5 Ų53.59%0.08535%0.346CS..  trans-95.4145.4-180-55.50000111F20 L22 V27 S69V17-F20 HydrophobicContact CB-CD1 4.5Å; V17-F20 HydrophobicContact CB-CE1 3.74Å; V17-F20 HydrophobicContact CB-CE2 4.11Å; V17-F20 HydrophobicContact CB-CZ 3.53Å; V17-F20 HydrophobicContact CG1-CE1 4.1Å; V17-F20 HydrophobicContact CG1-CE2 4.17Å; V17-F20 HydrophobicContact CG1-CZ 3.49Å; V17-F20 VanDerWaalsContact CG1-CZ 3.49Å; V17-F20 HydrophobicContact CG2-CE1 4.45Å; V17-F20 HydrophobicContact CG2-CE2 4.1Å; V17-F20 HydrophobicContact CG2-CZ 4.03Å; V17-L22 HydrophobicContact CB-CD2 4.45Å; V17-L22 HydrophobicContact CG1-CD2 4.04Å; V17-L22 HydrophobicContact CG2-CD1 4.18Å; V17-L22 HydrophobicContact CG2-CD2 3.61Å; V17-L22 HydrophobicContact CG2-CG 3.68Å; V17-V27 HydrophobicContact CG1-CG2 4.3Å; V17-S69 WeakPolarHBondContact CG2-O 3.32Å; V17-S69 PolarHBondContact N-O 3.31Å
18S88.7Confident90.6Very high107 Ų10751.6 Ų51.675%0.74833%0.332SS*.  trans-137.4153173.662.60000109.6F20S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 3.31Å
19G86Confident91.4Very high85 Ų8546.9 Ų46.988%0.87630%0.299SS*.SBendtrans79.52.5-179.500000115.7
20F86Confident91.8Very high36 Ų3643.2 Ų43.216%0.15828%0.283CS..SBendtrans-156.7163.2170.167.1-85.2000112V17 S18 L22 Y25 V27 R90V17-F20 HydrophobicContact CB-CD1 4.5Å; V17-F20 HydrophobicContact CB-CE1 3.74Å; V17-F20 HydrophobicContact CB-CE2 4.11Å; V17-F20 HydrophobicContact CB-CZ 3.53Å; V17-F20 HydrophobicContact CG1-CE1 4.1Å; V17-F20 HydrophobicContact CG1-CE2 4.17Å; V17-F20 HydrophobicContact CG1-CZ 3.49Å; V17-F20 VanDerWaalsContact CG1-CZ 3.49Å; V17-F20 HydrophobicContact CG2-CE1 4.45Å; V17-F20 HydrophobicContact CG2-CE2 4.1Å; V17-F20 HydrophobicContact CG2-CZ 4.03Å; S18-F20 VanDerWaalsContact C-N 3.31Å; S18-F20 PolarHBondContact O-N 3.31Å; F20-L22 HydrophobicContact CE2-CD2 3.99Å; F20-Y25 HydrophobicContact CB-CD2 3.88Å; F20-Y25 HydrophobicContact CB-CE2 4.19Å; F20-Y25 AromaticContact CD2-CD2 3.94Å; F20-Y25 HydrophobicContact CD2-CD2 3.94Å; F20-Y25 HydrophobicContact CD2-CG 4.19Å; F20-Y25 HydrophobicContact CG-CD2 4.28Å; F20-V27 HydrophobicContact CE2-CG2 4.12Å; F20-V27 HydrophobicContact CZ-CG2 4.15Å; F20-R90 HydrophobicContact CD1-CG 4.17Å; F20-R90 HydrophobicContact CD2-CG 4.08Å; F20-R90 HydrophobicContact CE1-CB 3.94Å; F20-R90 HydrophobicContact CE1-CG 3.84Å; F20-R90 HydrophobicContact CE2-CB 4.44Å; F20-R90 HydrophobicContact CE2-CG 3.76Å; F20-R90 HydrophobicContact CG-CG 4.26Å; F20-R90 HydrophobicContact CZ-CB 3.82Å; F20-R90 HydrophobicContact CZ-CG 3.62Å
21S89.9Confident92.1Very high53 Ų5340.8 Ų40.837%0.37126%0.264SS..  trans-95.3137174.4-179.40000112.2T23 S24 Y25S21-T23 PolarHBondContact O-N 3.25Å; S21-T23 PolarHBondContact OG-N 2.82Å; S21-T23 PolarHBondContact OG-OG1 3.16Å; S21-S24 PolarHBondContact O-N 2.84Å; S21-Y25 PolarHBondContact O-N 2.95Å
22L92.5Very high92.4Very high3 Ų344 Ų442%0.01628%0.279CS..THydrogen-bonded Turntrans-68.1-10.7173.1-66.4-179.7000113.9V17 F20 S24 V27 K64 N66 Q70 V71V17-L22 HydrophobicContact CB-CD2 4.45Å; V17-L22 HydrophobicContact CG1-CD2 4.04Å; V17-L22 HydrophobicContact CG2-CD1 4.18Å; V17-L22 HydrophobicContact CG2-CD2 3.61Å; V17-L22 HydrophobicContact CG2-CG 3.68Å; F20-L22 HydrophobicContact CE2-CD2 3.99Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-V27 HydrophobicContact CD2-CG2 3.65Å; L22-K64 HydrophobicContact CB-CD 4.42Å; L22-K64 HydrophobicContact CD1-CB 4.34Å; L22-K64 PolarHBondContact O-NZ 2.86Å; L22-N66 VanDerWaalsContact CB-OD1 3.25Å; L22-N66 WeakPolarHBondContact CB-OD1 3.06Å; L22-Q70 WeakPolarHBondContact CD1-O 3.37Å; L22-V71 HydrophobicContact CD1-CG2 3.84Å; L22-V71 HydrophobicContact CD2-CG2 3.6Å; L22-V71 HydrophobicContact CG-CG2 4.41Å
23T92.5Very high92.5Very high85 Ų8540.9 Ų40.952%0.52126%0.257SS..THydrogen-bonded Turntrans-82.5-13.8170.558.70000112.8S21 S46 N66S21-T23 PolarHBondContact O-N 3.25Å; S21-T23 PolarHBondContact OG-N 2.82Å; S21-T23 PolarHBondContact OG-OG1 3.16Å; T23-S46 WeakPolarHBondContact O-CB 3.49Å; T23-N66 HydrophobicContact CG2-CB 4.37Å; T23-N66 WeakPolarHBondContact CG2-ND2 3.36Å
24S90.3Very high92.5Very high73 Ų7345.6 Ų45.651%0.5129%0.288SS..THydrogen-bonded Turntrans-110-26.2-177.2-52.70000112.8S21 L22S21-S24 PolarHBondContact O-N 2.84Å; L22-S24 VanDerWaalsContact C-N 3.34Å
25Y89.1Confident92.3Very high97 Ų9746.8 Ų46.838%0.3831%0.314SS..  trans-130.3148-176.3-62.7-87000112.2F20 S21 R90 N91F20-Y25 HydrophobicContact CB-CD2 3.88Å; F20-Y25 HydrophobicContact CB-CE2 4.19Å; F20-Y25 AromaticContact CD2-CD2 3.94Å; F20-Y25 HydrophobicContact CD2-CD2 3.94Å; F20-Y25 HydrophobicContact CD2-CG 4.19Å; F20-Y25 HydrophobicContact CG-CD2 4.28Å; S21-Y25 PolarHBondContact O-N 2.95Å; Y25-R90 HydrophobicContact CD1-CG 4.37Å; Y25-R90 HydrophobicContact CG-CG 4.23Å; Y25-N91 WeakPolarHBondContact CD1-O 3.42Å
26G91.3Very high92.3Very high3 Ų351.9 Ų51.93%0.03134%0.335CS..  trans-81.8161.4166.900000112.5I44 N91G26-I44 CarbonylContact C-O 3.55Å; G26-I44 WeakPolarHBondContact CA-O 3.42Å; G26-N91 WeakPolarHBondContact O-CB 3.49Å; G26-N91 PolarHBondContact O-N 2.82Å
27V93.9Very high92.2Very high2 Ų249.9 Ų49.91%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-128.4122.8176.71790000109.5V17 F20 L22 V43 I44 V71 C88 A89V17-V27 HydrophobicContact CG1-CG2 4.3Å; F20-V27 HydrophobicContact CE2-CG2 4.12Å; F20-V27 HydrophobicContact CZ-CG2 4.15Å; L22-V27 HydrophobicContact CD2-CG2 3.65Å; V27-V43 WeakPolarHBondContact O-CA 3.42Å; V27-V43 WeakPolarHBondContact O-CG2 3.44Å; V27-I44 HydrophobicContact CB-CG2 4.45Å; V27-I44 PolarHBondContact N-O 2.93Å; V27-I44 PolarHBondContact O-N 3.27Å; V27-V71 HydrophobicContact CB-CG1 4.35Å; V27-V71 HydrophobicContact CB-CG2 3.95Å; V27-V71 HydrophobicContact CG1-CB 4.36Å; V27-V71 HydrophobicContact CG1-CG1 4.29Å; V27-V71 HydrophobicContact CG1-CG2 4.21Å; V27-V71 HydrophobicContact CG2-CG2 3.83Å; V27-C88 HydrophobicContact CG1-CB 3.97Å; V27-A89 CarbonylContact C-O 3.6Å; V27-A89 WeakPolarHBondContact CA-O 3.44Å
28H94.4Very high92.3Very high14 Ų1454.1 Ų54.17%0.06535%0.354CS..EExtended strand (participates in β ladder)trans-89.9147.9176.9-64.9-103.2000110.5W40 G42 C88 A89 N91H28-W40 AromaticContact CG-NE1 3.89Å; H28-W40 AromaticContact ND1-CD1 3.71Å; H28-W40 AromaticContact ND1-NE1 3.07Å; H28-W40 PolarHBondContact ND1-NE1 3.17Å; H28-G42 CarbonylContact C-O 3.6Å; H28-G42 WeakPolarHBondContact CA-O 3.28Å; H28-C88 CarbonylContact O-C 3.52Å; H28-C88 VanDerWaalsContact O-CA 3.25Å; H28-C88 WeakPolarHBondContact O-CA 3.47Å; H28-A89 PolarHBondContact N-O 3.2Å; H28-A89 PolarHBondContact O-N 2.74Å; H28-N91 PolarHBondContact NE2-ND2 3.13Å
29W95.6Very high92.5Very high2 Ų251.6 Ų51.61%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-109.1131.8165.8-7194.2000109.3I13 C15 L41 G42 V71 F73 Y87 C88I13-W29 HydrophobicContact CB-CH2 3.97Å; I13-W29 HydrophobicContact CB-CZ3 4.03Å; I13-W29 HydrophobicContact CG2-CH2 3.69Å; I13-W29 HydrophobicContact CG2-CZ3 3.73Å; C15-W29 HydrophobicContact CB-CH2 3.66Å; C15-W29 HydrophobicContact CB-CZ2 3.76Å; W29-L41 HydrophobicContact CB-CB 4.19Å; W29-L41 WeakPolarHBondContact O-CB 3.45Å; W29-L41 PolarHBondContact O-N 2.93Å; W29-G42 PolarHBondContact N-O 2.95Å; W29-G42 PolarHBondContact O-N 3.35Å; W29-V71 HydrophobicContact CZ2-CG1 4.17Å; W29-F73 HydrophobicContact CB-CD2 3.97Å; W29-F73 HydrophobicContact CB-CE2 4.28Å; W29-F73 HydrophobicContact CD2-CB 3.53Å; W29-F73 AromaticContact CD2-CD2 3.94Å; W29-F73 HydrophobicContact CD2-CD2 3.94Å; W29-F73 AromaticContact CD2-CG 3.91Å; W29-F73 HydrophobicContact CD2-CG 3.91Å; W29-F73 HydrophobicContact CE3-CB 3.85Å; W29-F73 HydrophobicContact CE3-CD2 4.38Å; W29-F73 HydrophobicContact CE3-CG 4.07Å; W29-F73 HydrophobicContact CG-CB 4.1Å; W29-F73 AromaticContact CG-CD2 3.71Å; W29-F73 HydrophobicContact CG-CD2 3.71Å; W29-F73 HydrophobicContact CG-CE2 4.49Å; W29-F73 HydrophobicContact CG-CG 4.19Å; W29-F73 HydrophobicContact CH2-CB 3.77Å; W29-F73 HydrophobicContact CZ2-CB 3.47Å; W29-F73 VanDerWaalsContact CZ2-CB 3.47Å; W29-F73 HydrophobicContact CZ3-CB 3.96Å; W29-F73 HydrophobicContact CZ3-CG 4.48Å; W29-Y87 WeakPolarHBondContact CA-O 3.32Å; W29-C88 HydrophobicContact CD2-CB 4.41Å; W29-C88 HydrophobicContact CE3-CB 4.24Å; W29-C88 HydrophobicContact CH2-CB 4.14Å; W29-C88 HydrophobicContact CZ2-CB 4.27Å; W29-C88 HydrophobicContact CZ3-CB 4.1Å
30V95.1Very high92.9Very high11 Ų1151.3 Ų51.37%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-136.7144-177.6-179.50000107.4L38 E39 Y87 W101V30-L38 HydrophobicContact CG1-CB 3.88Å; V30-L38 HydrophobicContact CG1-CD2 4.03Å; V30-L38 HydrophobicContact CG1-CG 4.44Å; V30-E39 CarbonylContact C-O 3.53Å; V30-E39 VanDerWaalsContact CA-O 3.29Å; V30-E39 WeakPolarHBondContact CA-O 3.43Å; V30-E39 WeakPolarHBondContact CG1-O 3.4Å; V30-Y87 PolarHBondContact N-O 3.48Å; V30-Y87 PolarHBondContact O-N 2.84Å; V30-W101 HydrophobicContact CB-CH2 4Å; V30-W101 HydrophobicContact CB-CZ3 3.76Å; V30-W101 HydrophobicContact CG1-CH2 3.94Å; V30-W101 HydrophobicContact CG1-CZ3 3.93Å; V30-W101 HydrophobicContact CG2-CH2 3.78Å; V30-W101 HydrophobicContact CG2-CZ3 3.95Å
31R95.3Very high93.3Very high12 Ų1249.6 Ų49.65%0.04530%0.296CS..EExtended strand (participates in β ladder)trans-122.7157.6170.770.3175.2-168.7179.313.3111.9E39 L41 F56 D82 A84 I85 Y86R31-E39 HydrophobicContact CG-CB 4.03Å; R31-E39 IonicContact CZ-OE2 3.21Å; R31-E39 PolarHBondContact N-O 2.7Å; R31-E39 IonicContact NE-OE2 3.48Å; R31-E39 PolarHBondContact NE-OE2 3.28Å; R31-E39 IonicContact NH2-OE2 2.85Å; R31-E39 PolarHBondContact NH2-OE2 2.91Å; R31-E39 PolarHBondContact O-N 2.83Å; R31-L41 HydrophobicContact CB-CD1 4.03Å; R31-L41 HydrophobicContact CB-CG 4.46Å; R31-L41 HydrophobicContact CG-CD1 4.12Å; R31-L41 HydrophobicContact CG-CD2 3.98Å; R31-L41 HydrophobicContact CG-CG 4.15Å; R31-F56 VanDerWaalsContact CZ-CZ 3.46Å; R31-F56 VanDerWaalsContact NH2-CE1 3.31Å; R31-D82 IonicContact NH1-OD1 3.8Å; R31-D82 PolarHBondContact NH1-OD1 2.86Å; R31-A84 HydrophobicContact CB-CB 3.92Å; R31-A84 HydrophobicContact CG-CB 4.33Å; R31-I85 CarbonylContact C-O 3.47Å; R31-I85 WeakPolarHBondContact CA-O 3.4Å; R31-Y86 HydrophobicContact CB-CD1 3.98Å; R31-Y86 HydrophobicContact CB-CE1 3.99Å; R31-Y86 HydrophobicContact CB-CG 4.33Å
32Q96.2Very high93.6Very high73 Ų7347.1 Ų47.134%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-130.9107.9171.5-167.3176.820.200109.5K36 L38 A84 I85 Y87Q32-K36 WeakPolarHBondContact CG-O 3.48Å; Q32-K36 PolarHBondContact NE2-O 3.19Å; Q32-L38 HydrophobicContact CB-CD2 4.08Å; Q32-L38 HydrophobicContact CG-CD2 4.37Å; Q32-A84 WeakPolarHBondContact O-CA 3.49Å; Q32-A84 WeakPolarHBondContact O-CB 3.3Å; Q32-I85 PolarHBondContact N-O 3.08Å; Q32-I85 PolarHBondContact O-N 2.65Å; Q32-Y87 HydrophobicContact CB-CE2 3.95Å
33S95.2Very high93.7Very high9 Ų947 Ų476%0.06328%0.278CS..  trans-74.7153.7171.4-60.50000110.8G35 K36S33-G35 PolarHBondContact O-N 2.84Å; S33-K36 PolarHBondContact O-N 2.85Å
34P93.4Very high93.9Very high106 Ų10643.3 Ų43.369%0.68826%0.255SS*.THydrogen-bonded Turntrans-52.8126.8175.9-2634.8000112K36P34-K36 PolarHBondContact O-N 2.89Å
35G93.5Very high94.1Very high93 Ų9343.8 Ų43.896%0.95925%0.245SC*.THydrogen-bonded Turntrans72.56.2-18000000115.7S33S33-G35 PolarHBondContact O-N 2.84Å
36K93Very high94.3Very high119 Ų11941.6 Ų41.652%0.51724%0.244SC..  trans-112.5163.2177.4-60.9-167.6-177175.30112.4Q32 S33 P34Q32-K36 WeakPolarHBondContact CG-O 3.48Å; Q32-K36 PolarHBondContact NE2-O 3.19Å; S33-K36 PolarHBondContact O-N 2.85Å; P34-K36 PolarHBondContact O-N 2.89Å
37G92.6Very high94.4Very high51 Ų5145 Ų4553%0.52628%0.279SS..  trans-72.2-179.8171.200000113
38L93.2Very high94.4Very high102 Ų10246.4 Ų46.453%0.53429%0.294SS..EExtended strand (participates in β ladder)trans-70.5127.9174.3-65.2175.7000110.6V30 Q32 W101V30-L38 HydrophobicContact CG1-CB 3.88Å; V30-L38 HydrophobicContact CG1-CD2 4.03Å; V30-L38 HydrophobicContact CG1-CG 4.44Å; Q32-L38 HydrophobicContact CB-CD2 4.08Å; Q32-L38 HydrophobicContact CG-CD2 4.37Å; L38-W101 HydrophobicContact CD1-CH2 3.96Å; L38-W101 HydrophobicContact CD1-CZ2 4.42Å
39E93.8Very high94.5Very high54 Ų5449.2 Ų49.225%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-111.7117.5177-62.9-177133.200109.7V30 R31V30-E39 CarbonylContact C-O 3.53Å; V30-E39 VanDerWaalsContact CA-O 3.29Å; V30-E39 WeakPolarHBondContact CA-O 3.43Å; V30-E39 WeakPolarHBondContact CG1-O 3.4Å; R31-E39 HydrophobicContact CG-CB 4.03Å; R31-E39 IonicContact CZ-OE2 3.21Å; R31-E39 PolarHBondContact N-O 2.7Å; R31-E39 IonicContact NE-OE2 3.48Å; R31-E39 PolarHBondContact NE-OE2 3.28Å; R31-E39 IonicContact NH2-OE2 2.85Å; R31-E39 PolarHBondContact NH2-OE2 2.91Å; R31-E39 PolarHBondContact O-N 2.83Å
40W94.3Very high94.5Very high80 Ų8051.4 Ų51.430%0.30333%0.329SS..EExtended strand (participates in β ladder)trans-73.3132.1174.5179.773.4000110.9H28 G42 V43 D51 N53H28-W40 AromaticContact CG-NE1 3.89Å; H28-W40 AromaticContact ND1-CD1 3.71Å; H28-W40 AromaticContact ND1-NE1 3.07Å; H28-W40 PolarHBondContact ND1-NE1 3.17Å; W40-G42 VanDerWaalsContact CE2-C 3.47Å; W40-G42 PolarHBondContact NE1-O 3.47Å; W40-V43 HydrophobicContact CZ2-CB 4.01Å; W40-V43 HydrophobicContact CZ2-CG1 3.86Å; W40-D51 HydrophobicContact CH2-CB 4.02Å; W40-D51 HydrophobicContact CZ2-CB 4.48Å; W40-N53 HydrophobicContact CE3-CB 3.91Å; W40-N53 HydrophobicContact CZ3-CB 4.03Å; W40-N53 VanDerWaalsContact O-CB 3.28Å; W40-N53 WeakPolarHBondContact O-CB 3.49Å; W40-N53 PolarHBondContact O-ND2 2.94Å
41L95.2Very high94.5Very high0 Ų054.7 Ų54.70%035%0.346CS..EExtended strand (participates in β ladder)trans-103.8-39.5-177.4-65.1179.7000112.8W29 R31 N53 F56 L60 F73 Y86W29-L41 HydrophobicContact CB-CB 4.19Å; W29-L41 WeakPolarHBondContact O-CB 3.45Å; W29-L41 PolarHBondContact O-N 2.93Å; R31-L41 HydrophobicContact CB-CD1 4.03Å; R31-L41 HydrophobicContact CB-CG 4.46Å; R31-L41 HydrophobicContact CG-CD1 4.12Å; R31-L41 HydrophobicContact CG-CD2 3.98Å; R31-L41 HydrophobicContact CG-CG 4.15Å; L41-N53 PolarHBondContact O-N 3.04Å; L41-F56 HydrophobicContact CD2-CD1 4.27Å; L41-F56 HydrophobicContact CD2-CD2 3.75Å; L41-F56 HydrophobicContact CD2-CE1 4.4Å; L41-F56 HydrophobicContact CD2-CE2 3.87Å; L41-F56 HydrophobicContact CD2-CG 3.97Å; L41-F56 HydrophobicContact CD2-CZ 4.21Å; L41-L60 HydrophobicContact CB-CD1 4.05Å; L41-L60 WeakPolarHBondContact O-CD1 3.2Å; L41-F73 HydrophobicContact CB-CE2 4.32Å; L41-F73 HydrophobicContact CD1-CE2 3.78Å; L41-F73 HydrophobicContact CD1-CZ 3.66Å; L41-Y86 HydrophobicContact CD1-CD1 3.8Å; L41-Y86 HydrophobicContact CD1-CE1 3.71Å
42G95.3Very high94.5Very high0 Ų056.7 Ų56.70%035%0.354CS..EExtended strand (participates in β ladder)trans172.4177.1-175.900000112.6H28 W29 W40 D51H28-G42 CarbonylContact C-O 3.6Å; H28-G42 WeakPolarHBondContact CA-O 3.28Å; W29-G42 PolarHBondContact N-O 2.95Å; W29-G42 PolarHBondContact O-N 3.35Å; W40-G42 VanDerWaalsContact CE2-C 3.47Å; W40-G42 PolarHBondContact NE1-O 3.47Å; G42-D51 CarbonylContact C-O 3.46Å; G42-D51 WeakPolarHBondContact CA-O 3.47Å
43V95.3Very high94.4Very high1 Ų155.5 Ų55.51%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-145146.8177.665.90000109.4V27 W40 W45 T50 D51V27-V43 WeakPolarHBondContact O-CA 3.42Å; V27-V43 WeakPolarHBondContact O-CG2 3.44Å; W40-V43 HydrophobicContact CZ2-CB 4.01Å; W40-V43 HydrophobicContact CZ2-CG1 3.86Å; V43-W45 HydrophobicContact CG1-CD2 4.25Å; V43-W45 HydrophobicContact CG1-CH2 4.49Å; V43-W45 HydrophobicContact CG1-CZ2 3.67Å; V43-W45 HydrophobicContact CG2-CD2 4.26Å; V43-W45 HydrophobicContact CG2-CE3 4.4Å; V43-W45 HydrophobicContact CG2-CZ2 4.43Å; V43-T50 WeakPolarHBondContact O-CA 3.39Å; V43-D51 HydrophobicContact CG1-CB 3.92Å; V43-D51 PolarHBondContact N-O 3.03Å; V43-D51 PolarHBondContact O-N 3.42Å; V43-D51 VanDerWaalsContact O-N 3.08Å
44I96.1Very high94.3Very high8 Ų859.2 Ų59.24%0.04138%0.381CS..EExtended strand (participates in β ladder)trans-112123.4159.5-171.7162.2000109.1G26 V27 S49 T50 I62 K64 V71G26-I44 CarbonylContact C-O 3.55Å; G26-I44 WeakPolarHBondContact CA-O 3.42Å; V27-I44 HydrophobicContact CB-CG2 4.45Å; V27-I44 PolarHBondContact N-O 2.93Å; V27-I44 PolarHBondContact O-N 3.27Å; I44-S49 WeakPolarHBondContact CA-O 3.4Å; I44-T50 HydrophobicContact CB-CG2 4.1Å; I44-T50 HydrophobicContact CD1-CG2 4.09Å; I44-T50 HydrophobicContact CG1-CG2 3.94Å; I44-I62 HydrophobicContact CB-CG2 3.69Å; I44-I62 HydrophobicContact CG2-CG2 3.7Å; I44-K64 HydrophobicContact CD1-CB 4.01Å; I44-K64 HydrophobicContact CD1-CD 3.91Å; I44-K64 HydrophobicContact CD1-CG 3.71Å; I44-K64 HydrophobicContact CG1-CD 4.11Å; I44-K64 HydrophobicContact CG1-CG 4.46Å; I44-V71 HydrophobicContact CG2-CG1 3.72Å; I44-V71 HydrophobicContact CG2-CG2 4.49Å
45W95.1Very high94.1Very high83 Ų8357.6 Ų57.631%0.31438%0.377SS..  trans-78.1167.1-177.9-62107.4000111.9V43 G47 G48 S49 D51 K64 N91V43-W45 HydrophobicContact CG1-CD2 4.25Å; V43-W45 HydrophobicContact CG1-CH2 4.49Å; V43-W45 HydrophobicContact CG1-CZ2 3.67Å; V43-W45 HydrophobicContact CG2-CD2 4.26Å; V43-W45 HydrophobicContact CG2-CE3 4.4Å; V43-W45 HydrophobicContact CG2-CZ2 4.43Å; W45-G47 PolarHBondContact O-N 2.75Å; W45-G48 PolarHBondContact O-N 2.86Å; W45-S49 VanDerWaalsContact CD1-OG 3.3Å; W45-S49 PolarHBondContact N-O 2.93Å; W45-D51 PolarHBondContact NE1-OD2 2.92Å; W45-K64 PolarHBondContact O-NZ 3.45Å; W45-N91 WeakPolarHBondContact CZ3-ND2 3.25Å
46S93Very high93.8Very high51 Ų5154 Ų5436%0.35734%0.335SS..THydrogen-bonded Turntrans-57.5-36.6175.353.10000112.2T23 G48 K64T23-S46 WeakPolarHBondContact O-CB 3.49Å; S46-G48 VanDerWaalsContact C-N 3.25Å; S46-G48 PolarHBondContact O-N 3.02Å; S46-K64 VanDerWaalsContact C-NZ 3.31Å; S46-K64 PolarHBondContact O-NZ 2.94Å
47G93.3Very high93.6Very high73 Ų7352.9 Ų52.975%0.75333%0.334SS*.THydrogen-bonded Turntrans-73.1-8.2173.500000115.3W45W45-G47 PolarHBondContact O-N 2.75Å
48G94.3Very high93.6Very high33 Ų3355.7 Ų55.734%0.3435%0.345SS..SBendtrans91.1-6.3178.200000115.4W45 S46W45-G48 PolarHBondContact O-N 2.86Å; S46-G48 VanDerWaalsContact C-N 3.25Å; S46-G48 PolarHBondContact O-N 3.02Å
49S95.6Very high93.7Very high72 Ų7252.2 Ų52.250%0.50333%0.325SS..  trans-64.1152.3168.552.50000111I44 W45I44-S49 WeakPolarHBondContact CA-O 3.4Å; W45-S49 VanDerWaalsContact CD1-OG 3.3Å; W45-S49 PolarHBondContact N-O 2.93Å
50T96.4Very high93.7Very high48 Ų4850.3 Ų50.329%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-125.9137.5-17958.10000111.4V43 I44 Y52 I62V43-T50 WeakPolarHBondContact O-CA 3.39Å; I44-T50 HydrophobicContact CB-CG2 4.1Å; I44-T50 HydrophobicContact CD1-CG2 4.09Å; I44-T50 HydrophobicContact CG1-CG2 3.94Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.23Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; T50-Y52 PolarHBondContact OG1-OH 2.76Å; T50-I62 HydrophobicContact CG2-CB 4.42Å
51D95.1Very high93.7Very high81 Ų8149.1 Ų49.143%0.43332%0.32SS..EExtended strand (participates in β ladder)trans-115.4147.6164.7-58.3-51.7000109.6W40 G42 V43 W45W40-D51 HydrophobicContact CH2-CB 4.02Å; W40-D51 HydrophobicContact CZ2-CB 4.48Å; G42-D51 CarbonylContact C-O 3.46Å; G42-D51 WeakPolarHBondContact CA-O 3.47Å; V43-D51 HydrophobicContact CG1-CB 3.92Å; V43-D51 PolarHBondContact N-O 3.03Å; V43-D51 PolarHBondContact O-N 3.42Å; V43-D51 VanDerWaalsContact O-N 3.08Å; W45-D51 PolarHBondContact NE1-OD2 2.92Å
52Y95.3Very high93.8Very high54 Ų5449.5 Ų49.521%0.21232%0.322CS..EExtended strand (participates in β ladder)trans-128.1152.5-177.8-60.2-82.5000110.6T50 A54 I57 L60 I62T50-Y52 VanDerWaalsContact OG1-CE2 3.23Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.38Å; T50-Y52 PolarHBondContact OG1-OH 2.76Å; Y52-A54 PolarHBondContact O-N 2.87Å; Y52-I57 HydrophobicContact CD2-CD1 4.18Å; Y52-I57 HydrophobicContact CD2-CG1 3.97Å; Y52-I57 HydrophobicContact CG-CD1 4.5Å; Y52-I57 HydrophobicContact CG-CG1 4.04Å; Y52-L60 HydrophobicContact CD1-CB 3.81Å; Y52-L60 HydrophobicContact CD1-CD1 4.24Å; Y52-L60 HydrophobicContact CE1-CB 3.94Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.32Å; Y52-I62 HydrophobicContact CE1-CD1 3.75Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 2.88Å
53N93.7Very high93.9Very high47 Ų4752.2 Ų52.225%0.25134%0.341SS..  trans-69.2128.3164.8-177.5-31.5000109.4W40 L41 A55 F56 I57W40-N53 HydrophobicContact CE3-CB 3.91Å; W40-N53 HydrophobicContact CZ3-CB 4.03Å; W40-N53 VanDerWaalsContact O-CB 3.28Å; W40-N53 WeakPolarHBondContact O-CB 3.49Å; W40-N53 PolarHBondContact O-ND2 2.94Å; L41-N53 PolarHBondContact O-N 3.04Å; N53-A55 PolarHBondContact O-N 3.41Å; N53-A55 VanDerWaalsContact O-N 3.11Å; N53-A55 WeakPolarHBondContact OD1-CB 3.34Å; N53-A55 PolarHBondContact OD1-N 3.45Å; N53-F56 HydrophobicContact CB-CD2 3.97Å; N53-F56 PolarHBondContact O-N 3.13Å; N53-I57 PolarHBondContact O-N 2.9Å
54A92.8Very high94Very high87 Ų8754.2 Ų54.272%0.71935%0.35SS*.THydrogen-bonded Turntrans-55.1-30.8-177.500000113.3Y52 F56Y52-A54 PolarHBondContact O-N 2.87Å; A54-F56 PolarHBondContact O-N 2.84Å
55A89.6Confident94Very high72 Ų7255.8 Ų55.860%0.59536%0.358SS*.THydrogen-bonded Turntrans-66.9-21.1177.600000113.7N53N53-A55 PolarHBondContact O-N 3.41Å; N53-A55 VanDerWaalsContact O-N 3.11Å; N53-A55 WeakPolarHBondContact OD1-CB 3.34Å; N53-A55 PolarHBondContact OD1-N 3.45Å
56F87.1Confident94Very high19 Ų1955.1 Ų55.18%0.08336%0.361CS..THydrogen-bonded Turntrans-121.2-10.2-173.1-57.7-81.5000114R31 L41 N53 A54 S58 R59 L60 M75R31-F56 VanDerWaalsContact CZ-CZ 3.46Å; R31-F56 VanDerWaalsContact NH2-CE1 3.31Å; L41-F56 HydrophobicContact CD2-CD1 4.27Å; L41-F56 HydrophobicContact CD2-CD2 3.75Å; L41-F56 HydrophobicContact CD2-CE1 4.4Å; L41-F56 HydrophobicContact CD2-CE2 3.87Å; L41-F56 HydrophobicContact CD2-CG 3.97Å; L41-F56 HydrophobicContact CD2-CZ 4.21Å; N53-F56 HydrophobicContact CB-CD2 3.97Å; N53-F56 PolarHBondContact O-N 3.13Å; A54-F56 PolarHBondContact O-N 2.84Å; F56-S58 PolarHBondContact O-N 3.07Å; F56-R59 PolarHBondContact O-N 2.94Å; F56-L60 HydrophobicContact CB-CD1 3.42Å; F56-L60 VanDerWaalsContact CB-CD1 3.42Å; F56-L60 HydrophobicContact CB-CG 3.78Å; F56-L60 HydrophobicContact CG-CD1 4.4Å; F56-L60 WeakPolarHBondContact O-CG 3.16Å; F56-L60 PolarHBondContact O-N 2.84Å; F56-M75 HydrophobicContact CD1-CE 4.02Å
57I89.7Confident94Very high95 Ų9557.7 Ų57.749%0.48738%0.379SS..THydrogen-bonded Turntrans-53.6-32.5-169.5-167166.8000114.3Y52 N53 R59Y52-I57 HydrophobicContact CD2-CD1 4.18Å; Y52-I57 HydrophobicContact CD2-CG1 3.97Å; Y52-I57 HydrophobicContact CG-CD1 4.5Å; Y52-I57 HydrophobicContact CG-CG1 4.04Å; N53-I57 PolarHBondContact O-N 2.9Å; I57-R59 PolarHBondContact O-N 3.25Å
58S92.3Very high94.1Very high109 Ų10960.1 Ų60.176%0.76237%0.369SS*.THydrogen-bonded Turntrans-70.6-17.1-179.859.10000114.2F56F56-S58 PolarHBondContact O-N 3.07Å
59R93.9Very high94.2Very high29 Ų2960.6 Ų60.611%0.10937%0.367CS..THydrogen-bonded Turntrans-116.4-11.5-173.8-59.3-169.1-60.5125.2-2.6113.6F56 I57 M75 N76 S77 D82F56-R59 PolarHBondContact O-N 2.94Å; I57-R59 PolarHBondContact O-N 3.25Å; R59-M75 HydrophobicContact CB-CG 4.45Å; R59-M75 CarbonylContact O-C 3.59Å; R59-M75 WeakPolarHBondContact O-CA 3.37Å; R59-N76 PolarHBondContact O-N 2.9Å; R59-S77 PolarHBondContact NH1-O 2.95Å; R59-D82 IonicContact CZ-OD1 2.89Å; R59-D82 IonicContact CZ-OD2 3.28Å; R59-D82 IonicContact NH1-OD1 2.7Å; R59-D82 IonicContact NH1-OD2 3.44Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 3.75Å; R59-D82 PolarHBondContact NH2-OD1 2.8Å; R59-D82 IonicContact NH2-OD2 3.19Å; R59-D82 PolarHBondContact NH2-OD2 2.8Å
60L93.9Very high94.2Very high15 Ų1559.4 Ų59.48%0.07935%0.353CS..EExtended strand (participates in β ladder)trans-98.4147.9-172.8-68-174.1000113.4L41 Y52 F56 F73 K74 M75L41-L60 HydrophobicContact CB-CD1 4.05Å; L41-L60 WeakPolarHBondContact O-CD1 3.2Å; Y52-L60 HydrophobicContact CD1-CB 3.81Å; Y52-L60 HydrophobicContact CD1-CD1 4.24Å; Y52-L60 HydrophobicContact CE1-CB 3.94Å; F56-L60 HydrophobicContact CB-CD1 3.42Å; F56-L60 VanDerWaalsContact CB-CD1 3.42Å; F56-L60 HydrophobicContact CB-CG 3.78Å; F56-L60 HydrophobicContact CG-CD1 4.4Å; F56-L60 WeakPolarHBondContact O-CG 3.16Å; F56-L60 PolarHBondContact O-N 2.84Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CD2 4.42Å; L60-F73 HydrophobicContact CD2-CE1 4.34Å; L60-F73 HydrophobicContact CD2-CE2 3.36Å; L60-F73 HydrophobicContact CD2-CZ 3.31Å; L60-F73 HydrophobicContact CG-CE2 4.3Å; L60-K74 CarbonylContact C-O 3.53Å; L60-K74 WeakPolarHBondContact CA-O 3.38Å; L60-M75 HydrophobicContact CD2-CB 3.79Å; L60-M75 HydrophobicContact CD2-CE 3.45Å; L60-M75 VanDerWaalsContact CD2-CE 3.45Å; L60-M75 HydrophobicContact CD2-CG 3.9Å; L60-M75 HydrophobicContact CD2-SD 4.49Å; L60-M75 HydrophobicContact CG-CE 4.39Å
61S95.7Very high94.3Very high55 Ų5557.1 Ų57.139%0.38534%0.339SS..EExtended strand (participates in β ladder)trans-143.6128.1165.5179.20000109.1K74S61-K74 PolarHBondContact N-O 2.72Å; S61-K74 PolarHBondContact O-N 3.08Å
62I96.9Very high94.3Very high8 Ų855.7 Ų55.74%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-117.2134174.8-58.5161.7000108.4I44 T50 Y52 V71 F72 F73I44-I62 HydrophobicContact CB-CG2 3.69Å; I44-I62 HydrophobicContact CG2-CG2 3.7Å; T50-I62 HydrophobicContact CG2-CB 4.42Å; Y52-I62 HydrophobicContact CD1-CD1 4.12Å; Y52-I62 HydrophobicContact CE1-CB 4.32Å; Y52-I62 HydrophobicContact CE1-CD1 3.75Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 2.88Å; I62-V71 HydrophobicContact CG2-CG1 4.05Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; I62-F73 HydrophobicContact CG1-CD2 4.11Å
63S96.9Very high94.4Very high56 Ų5653.1 Ų53.139%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-141.3170.1175.168.10000110.8V71 F72S63-V71 CarbonylContact O-C 3.51Å; S63-V71 WeakPolarHBondContact O-CA 3.21Å; S63-V71 WeakPolarHBondContact O-CG1 3.38Å; S63-F72 PolarHBondContact N-O 2.85Å; S63-F72 PolarHBondContact O-N 2.88Å
64K96.4Very high94.4Very high44 Ų4455.3 Ų55.319%0.19133%0.326CS..EExtended strand (participates in β ladder)trans-144151.3177.969.9-177.4-172.8177.10112.3L22 I44 W45 S46 N66 Q70 V71L22-K64 HydrophobicContact CB-CD 4.42Å; L22-K64 HydrophobicContact CD1-CB 4.34Å; L22-K64 PolarHBondContact O-NZ 2.86Å; I44-K64 HydrophobicContact CD1-CB 4.01Å; I44-K64 HydrophobicContact CD1-CD 3.91Å; I44-K64 HydrophobicContact CD1-CG 3.71Å; I44-K64 HydrophobicContact CG1-CD 4.11Å; I44-K64 HydrophobicContact CG1-CG 4.46Å; W45-K64 PolarHBondContact O-NZ 3.45Å; S46-K64 VanDerWaalsContact C-NZ 3.31Å; S46-K64 PolarHBondContact O-NZ 2.94Å; K64-N66 WeakPolarHBondContact CD-OD1 3.49Å; K64-N66 WeakPolarHBondContact CE-OD1 3.34Å; K64-Q70 CarbonylContact C-O 3.58Å; K64-Q70 VanDerWaalsContact CA-O 3.3Å; K64-Q70 WeakPolarHBondContact CA-O 3.28Å; K64-V71 HydrophobicContact CB-CG2 4.11Å
65D96.3Very high94.5Very high41 Ų4151.2 Ų51.222%0.21929%0.292CS..EExtended strand (participates in β ladder)trans-122.1101.7170.1-176.4-16.7000108.1S67 K68 S69 Q70 F72D65-S67 PolarHBondContact O-N 3.11Å; D65-S67 WeakPolarHBondContact OD1-CB 3.4Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.07Å; D65-K68 HydrophobicContact CB-CB 4.36Å; D65-K68 PolarHBondContact O-N 3.36Å; D65-K68 PolarHBondContact OD1-N 3.42Å; D65-K68 WeakPolarHBondContact OD2-CD 3.43Å; D65-K68 VanDerWaalsContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CE 3.37Å; D65-K68 WeakPolarHBondContact OD2-CG 3.32Å; D65-K68 IonicContact OD2-NZ 2.84Å; D65-K68 PolarHBondContact OD2-NZ 2.84Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-Q70 PolarHBondContact N-O 2.87Å; D65-Q70 PolarHBondContact O-N 3.32Å; D65-F72 HydrophobicContact CB-CE2 3.82Å; D65-F72 HydrophobicContact CB-CZ 4.39Å
66N95Very high94.7Very high69 Ų6950.4 Ų50.437%0.36928%0.278SS..G310 helixtrans-63.4-32.5-179-65.1-16.8000111.7L22 T23 K64 K68 S69L22-N66 VanDerWaalsContact CB-OD1 3.25Å; L22-N66 WeakPolarHBondContact CB-OD1 3.06Å; T23-N66 HydrophobicContact CG2-CB 4.37Å; T23-N66 WeakPolarHBondContact CG2-ND2 3.36Å; K64-N66 WeakPolarHBondContact CD-OD1 3.49Å; K64-N66 WeakPolarHBondContact CE-OD1 3.34Å; N66-K68 PolarHBondContact O-N 3.11Å; N66-S69 PolarHBondContact O-N 3.06Å
67S94.4Very high94.9Very high105 Ų10552.8 Ų52.873%0.73430%0.297SS*.G310 helixtrans-67.4-29.4-178.574.70000112.2D65D65-S67 PolarHBondContact O-N 3.11Å; D65-S67 WeakPolarHBondContact OD1-CB 3.4Å; D65-S67 PolarHBondContact OD1-N 3.29Å; D65-S67 PolarHBondContact OD1-OG 3.07Å
68K95.6Very high94.9Very high124 Ų12448.4 Ų48.454%0.53927%0.274SS..G310 helixtrans-99.1-3177.8-63.4-179.3-169.7147.40113.5D65 N66 Q70D65-K68 HydrophobicContact CB-CB 4.36Å; D65-K68 PolarHBondContact O-N 3.36Å; D65-K68 PolarHBondContact OD1-N 3.42Å; D65-K68 WeakPolarHBondContact OD2-CD 3.43Å; D65-K68 VanDerWaalsContact OD2-CE 3.29Å; D65-K68 WeakPolarHBondContact OD2-CE 3.37Å; D65-K68 WeakPolarHBondContact OD2-CG 3.32Å; D65-K68 IonicContact OD2-NZ 2.84Å; D65-K68 PolarHBondContact OD2-NZ 2.84Å; N66-K68 PolarHBondContact O-N 3.11Å; K68-Q70 HydrophobicContact CB-CB 4.22Å; K68-Q70 HydrophobicContact CB-CG 4.08Å; K68-Q70 PolarHBondContact O-N 2.89Å
69S95.1Very high94.9Very high43 Ų4348 Ų4830%0.30126%0.261SS..THydrogen-bonded Turntrans52.144-170.5-59.60000111.9T16 V17 D65 N66T16-S69 WeakPolarHBondContact CA-O 3.23Å; V17-S69 WeakPolarHBondContact CG2-O 3.32Å; V17-S69 PolarHBondContact N-O 3.31Å; D65-S69 PolarHBondContact O-N 2.82Å; D65-S69 VanDerWaalsContact O-N 3.07Å; N66-S69 PolarHBondContact O-N 3.06Å
70Q96.9Very high94.7Very high47 Ų4749.5 Ų49.522%0.2228%0.279CS..EExtended strand (participates in β ladder)trans-121.3140.3-176.8-77.5175.6-10.200112T14 C15 T16 L22 K64 D65 K68 F72T14-Q70 HydrophobicContact CG2-CB 4.13Å; T14-Q70 HydrophobicContact CG2-CG 3.86Å; C15-Q70 WeakPolarHBondContact O-CA 3.29Å; T16-Q70 HydrophobicContact CG2-CG 4.37Å; T16-Q70 PolarHBondContact OG1-NE2 2.78Å; L22-Q70 WeakPolarHBondContact CD1-O 3.37Å; K64-Q70 CarbonylContact C-O 3.58Å; K64-Q70 VanDerWaalsContact CA-O 3.3Å; K64-Q70 WeakPolarHBondContact CA-O 3.28Å; D65-Q70 PolarHBondContact N-O 2.87Å; D65-Q70 PolarHBondContact O-N 3.32Å; K68-Q70 HydrophobicContact CB-CB 4.22Å; K68-Q70 HydrophobicContact CB-CG 4.08Å; K68-Q70 PolarHBondContact O-N 2.89Å; Q70-F72 HydrophobicContact CB-CE1 4.21Å; Q70-F72 HydrophobicContact CB-CE2 4.02Å; Q70-F72 HydrophobicContact CB-CZ 3.65Å
71V96.8Very high94.6Very high0 Ų054.6 Ų54.60%031%0.307CS..EExtended strand (participates in β ladder)trans-118.1132.6169.7-177.90000108C15 L22 V27 W29 I44 I62 S63 K64C15-V71 HydrophobicContact CB-CB 4.47Å; C15-V71 PolarHBondContact N-O 3.11Å; C15-V71 PolarHBondContact O-N 3.29Å; L22-V71 HydrophobicContact CD1-CG2 3.84Å; L22-V71 HydrophobicContact CD2-CG2 3.6Å; L22-V71 HydrophobicContact CG-CG2 4.41Å; V27-V71 HydrophobicContact CB-CG1 4.35Å; V27-V71 HydrophobicContact CB-CG2 3.95Å; V27-V71 HydrophobicContact CG1-CB 4.36Å; V27-V71 HydrophobicContact CG1-CG1 4.29Å; V27-V71 HydrophobicContact CG1-CG2 4.21Å; V27-V71 HydrophobicContact CG2-CG2 3.83Å; W29-V71 HydrophobicContact CZ2-CG1 4.17Å; I44-V71 HydrophobicContact CG2-CG1 3.72Å; I44-V71 HydrophobicContact CG2-CG2 4.49Å; I62-V71 HydrophobicContact CG2-CG1 4.05Å; S63-V71 CarbonylContact O-C 3.51Å; S63-V71 WeakPolarHBondContact O-CA 3.21Å; S63-V71 WeakPolarHBondContact O-CG1 3.38Å; K64-V71 HydrophobicContact CB-CG2 4.11Å
72F96.7Very high94.4Very high50 Ų5052.1 Ų52.122%0.21929%0.289CS..EExtended strand (participates in β ladder)trans-110.6136-177.9-51.5-82.9000109.5I13 T14 I62 S63 D65 Q70I13-F72 WeakPolarHBondContact O-CA 3.41Å; T14-F72 HydrophobicContact CG2-CD1 3.97Å; T14-F72 HydrophobicContact CG2-CE1 3.67Å; T14-F72 WeakPolarHBondContact OG1-CD1 3.03Å; I62-F72 WeakPolarHBondContact CA-O 3.43Å; S63-F72 PolarHBondContact N-O 2.85Å; S63-F72 PolarHBondContact O-N 2.88Å; D65-F72 HydrophobicContact CB-CE2 3.82Å; D65-F72 HydrophobicContact CB-CZ 4.39Å; Q70-F72 HydrophobicContact CB-CE1 4.21Å; Q70-F72 HydrophobicContact CB-CE2 4.02Å; Q70-F72 HydrophobicContact CB-CZ 3.65Å
73F96Very high94.3Very high0 Ų053.3 Ų53.30%030%0.297CS..EExtended strand (participates in β ladder)trans-120.1124.7172169.4-91.1000108.8L11 S12 I13 W29 L41 L60 I62 M75 Y86L11-F73 HydrophobicContact CD2-CE1 4.22Å; S12-F73 CarbonylContact C-O 3.45Å; S12-F73 WeakPolarHBondContact CA-O 2.99Å; I13-F73 HydrophobicContact CB-CD1 4.46Å; I13-F73 HydrophobicContact CD1-CD1 4.28Å; I13-F73 HydrophobicContact CG1-CD1 4.37Å; I13-F73 PolarHBondContact N-O 3.24Å; I13-F73 PolarHBondContact O-N 2.03Å; W29-F73 HydrophobicContact CB-CD2 3.97Å; W29-F73 HydrophobicContact CB-CE2 4.28Å; W29-F73 HydrophobicContact CD2-CB 3.53Å; W29-F73 AromaticContact CD2-CD2 3.94Å; W29-F73 HydrophobicContact CD2-CD2 3.94Å; W29-F73 AromaticContact CD2-CG 3.91Å; W29-F73 HydrophobicContact CD2-CG 3.91Å; W29-F73 HydrophobicContact CE3-CB 3.85Å; W29-F73 HydrophobicContact CE3-CD2 4.38Å; W29-F73 HydrophobicContact CE3-CG 4.07Å; W29-F73 HydrophobicContact CG-CB 4.1Å; W29-F73 AromaticContact CG-CD2 3.71Å; W29-F73 HydrophobicContact CG-CD2 3.71Å; W29-F73 HydrophobicContact CG-CE2 4.49Å; W29-F73 HydrophobicContact CG-CG 4.19Å; W29-F73 HydrophobicContact CH2-CB 3.77Å; W29-F73 HydrophobicContact CZ2-CB 3.47Å; W29-F73 VanDerWaalsContact CZ2-CB 3.47Å; W29-F73 HydrophobicContact CZ3-CB 3.96Å; W29-F73 HydrophobicContact CZ3-CG 4.48Å; L41-F73 HydrophobicContact CB-CE2 4.32Å; L41-F73 HydrophobicContact CD1-CE2 3.78Å; L41-F73 HydrophobicContact CD1-CZ 3.66Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CD2 4.42Å; L60-F73 HydrophobicContact CD2-CE1 4.34Å; L60-F73 HydrophobicContact CD2-CE2 3.36Å; L60-F73 HydrophobicContact CD2-CZ 3.31Å; L60-F73 HydrophobicContact CG-CE2 4.3Å; I62-F73 HydrophobicContact CG1-CD2 4.11Å; F73-M75 HydrophobicContact CE1-CB 3.91Å; F73-M75 HydrophobicContact CZ-CB 4.09Å; F73-M75 HydrophobicContact CZ-CE 4.12Å; F73-Y86 AromaticContact CE1-CD1 3.92Å; F73-Y86 HydrophobicContact CE1-CD1 3.92Å; F73-Y86 AromaticContact CE1-CE1 3.9Å; F73-Y86 HydrophobicContact CE1-CE1 3.9Å; F73-Y86 HydrophobicContact CZ-CD1 4.18Å; F73-Y86 HydrophobicContact CZ-CE1 4Å
74K95.2Very high94.3Very high94 Ų9450.7 Ų50.741%0.40928%0.278SS..EExtended strand (participates in β ladder)trans-118.4132.7174.3-167.2-178.6-175.5-170.50109.7L11 L60 S61 N76L11-K74 CarbonylContact O-C 3.57Å; L11-K74 VanDerWaalsContact O-CA 3.25Å; L11-K74 WeakPolarHBondContact O-CA 3.37Å; L11-K74 WeakPolarHBondContact O-CG 3.36Å; L60-K74 CarbonylContact C-O 3.53Å; L60-K74 WeakPolarHBondContact CA-O 3.38Å; S61-K74 PolarHBondContact N-O 2.72Å; S61-K74 PolarHBondContact O-N 3.08Å; K74-N76 WeakPolarHBondContact CE-OD1 3.25Å
75M94.2Very high94.3Very high0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-123.4121.4169.9-178-179.9-86.100108.7S10 L11 F56 R59 L60 F73 L78 D82S10-M75 CarbonylContact C-O 3.55Å; S10-M75 VanDerWaalsContact CA-O 3.27Å; S10-M75 WeakPolarHBondContact CA-O 3.46Å; L11-M75 HydrophobicContact CB-CB 4.43Å; L11-M75 PolarHBondContact N-O 3.21Å; L11-M75 PolarHBondContact O-N 2.98Å; F56-M75 HydrophobicContact CD1-CE 4.02Å; R59-M75 HydrophobicContact CB-CG 4.45Å; R59-M75 CarbonylContact O-C 3.59Å; R59-M75 WeakPolarHBondContact O-CA 3.37Å; L60-M75 HydrophobicContact CD2-CB 3.79Å; L60-M75 HydrophobicContact CD2-CE 3.45Å; L60-M75 VanDerWaalsContact CD2-CE 3.45Å; L60-M75 HydrophobicContact CD2-CG 3.9Å; L60-M75 HydrophobicContact CD2-SD 4.49Å; L60-M75 HydrophobicContact CG-CE 4.39Å; F73-M75 HydrophobicContact CE1-CB 3.91Å; F73-M75 HydrophobicContact CZ-CB 4.09Å; F73-M75 HydrophobicContact CZ-CE 4.12Å; M75-L78 HydrophobicContact CB-CD2 4.27Å; M75-L78 HydrophobicContact CG-CD2 3.96Å; M75-L78 HydrophobicContact SD-CD2 3.68Å; M75-D82 HydrophobicContact SD-CB 4.05Å; M75-D82 VanDerWaalsContact SD-CG 3.55Å
76N93.1Very high94.3Very high55 Ų5549.4 Ų49.429%0.29427%0.273SS..  trans-92.1160.3176.3-55.8-47.1000110.5S10 R59 K74 L78S10-N76 PolarHBondContact OG-OD1 3.01Å; R59-N76 PolarHBondContact O-N 2.9Å; K74-N76 WeakPolarHBondContact CE-OD1 3.25Å; N76-L78 PolarHBondContact O-N 2.84Å
77S91.1Very high94.3Very high69 Ų6947.9 Ų47.948%0.48326%0.262SS..SBendtrans52.258.3174.1-56.10000112Q9 R59Q9-S77 PolarHBondContact O-N 2.82Å; R59-S77 PolarHBondContact NH1-O 2.95Å
78L91.2Very high94.3Very high3 Ų343.7 Ų43.72%0.01623%0.233CC..  trans-59.4142.9179.2-69.5169.5000111.7V5 P7 S8 Q9 L11 M75 N76 D82 V109V5-L78 HydrophobicContact CB-CD1 3.9Å; V5-L78 HydrophobicContact CG1-CD1 4.42Å; V5-L78 HydrophobicContact CG2-CD1 3.56Å; P7-L78 WeakPolarHBondContact CA-O 3.38Å; S8-L78 PolarHBondContact N-O 3.39Å; Q9-L78 WeakPolarHBondContact O-CG 3.06Å; Q9-L78 PolarHBondContact O-N 2.84Å; Q9-L78 VanDerWaalsContact O-N 3.11Å; L11-L78 HydrophobicContact CB-CD1 3.84Å; L11-L78 HydrophobicContact CB-CD2 3.91Å; L11-L78 HydrophobicContact CB-CG 4.27Å; L11-L78 HydrophobicContact CD2-CD2 4.41Å; M75-L78 HydrophobicContact CB-CD2 4.27Å; M75-L78 HydrophobicContact CG-CD2 3.96Å; M75-L78 HydrophobicContact SD-CD2 3.68Å; N76-L78 PolarHBondContact O-N 2.84Å; L78-D82 HydrophobicContact CD2-CB 4.05Å; L78-V109 HydrophobicContact CB-CG1 4.09Å; L78-V109 HydrophobicContact CB-CG2 4.3Å; L78-V109 HydrophobicContact CD1-CG2 4.46Å
79Q91.7Very high94.1Very high101 Ų10138 Ų3847%0.47221%0.209SC..  trans-119.4159.8177.4-56.5177.71500109.2D81 D82 V109Q79-D81 PolarHBondContact O-N 2.82Å; Q79-D81 VanDerWaalsContact O-N 3.17Å; Q79-D82 PolarHBondContact N-OD2 2.87Å; Q79-D82 VanDerWaalsContact O-CB 3.32Å; Q79-D82 WeakPolarHBondContact O-CB 3.33Å; Q79-D82 PolarHBondContact O-N 2.88Å; Q79-V109 WeakPolarHBondContact O-CB 3.39Å; Q79-V109 WeakPolarHBondContact O-CG1 3.46Å; Q79-V109 WeakPolarHBondContact O-CG2 3.29Å
80A90.6Very high93.8Very high61 Ų6137.9 Ų37.950%0.50420%0.202SC..G310 helixtrans-54.3-37.4177.900000112.2D82 T83A80-D82 PolarHBondContact O-N 3.21Å; A80-T83 WeakPolarHBondContact O-CB 3.21Å; A80-T83 PolarHBondContact O-N 2.99Å; A80-T83 VanDerWaalsContact O-N 3.08Å; A80-T83 PolarHBondContact O-OG1 2.7Å
81D90.4Very high92.9Very high122 Ų12237.1 Ų37.165%0.65220%0.199SC*.G310 helixtrans-67.8-10.3177.8-70.2-3.2000114.2Q79 T83Q79-D81 PolarHBondContact O-N 2.82Å; Q79-D81 VanDerWaalsContact O-N 3.17Å; D81-T83 PolarHBondContact O-N 3.3Å
82D92.7Very high91.4Very high2 Ų238.2 Ų38.21%0.01121%0.207CC..G310 helixtrans-81.90.1172.3-61.3-44000112.5R31 R59 M75 L78 Q79 A80 A84 Y86 V109R31-D82 IonicContact NH1-OD1 3.8Å; R31-D82 PolarHBondContact NH1-OD1 2.86Å; R59-D82 IonicContact CZ-OD1 2.89Å; R59-D82 IonicContact CZ-OD2 3.28Å; R59-D82 IonicContact NH1-OD1 2.7Å; R59-D82 IonicContact NH1-OD2 3.44Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 3.75Å; R59-D82 PolarHBondContact NH2-OD1 2.8Å; R59-D82 IonicContact NH2-OD2 3.19Å; R59-D82 PolarHBondContact NH2-OD2 2.8Å; M75-D82 HydrophobicContact SD-CB 4.05Å; M75-D82 VanDerWaalsContact SD-CG 3.55Å; L78-D82 HydrophobicContact CD2-CB 4.05Å; Q79-D82 PolarHBondContact N-OD2 2.87Å; Q79-D82 VanDerWaalsContact O-CB 3.32Å; Q79-D82 WeakPolarHBondContact O-CB 3.33Å; Q79-D82 PolarHBondContact O-N 2.88Å; A80-D82 PolarHBondContact O-N 3.21Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.18Å; D82-V109 HydrophobicContact CB-CG2 4.19Å
83T94.8Very high89.6Confident33 Ų3338.9 Ų38.920%0.20223%0.228CC..  trans-62.9113169.7-64.20000110.3A80 D81 V107 T108 V109A80-T83 WeakPolarHBondContact O-CB 3.21Å; A80-T83 PolarHBondContact O-N 2.99Å; A80-T83 VanDerWaalsContact O-N 3.08Å; A80-T83 PolarHBondContact O-OG1 2.7Å; D81-T83 PolarHBondContact O-N 3.3Å; T83-V107 WeakPolarHBondContact CA-O 3.25Å; T83-T108 HydrophobicContact CG2-CG2 4.47Å; T83-V109 PolarHBondContact OG1-N 3.35Å; T83-V109 PolarHBondContact OG1-O 2.9Å
84A95.9Very high87.6Confident1 Ų145.6 Ų45.61%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-166.1167.8-175.700000111R31 Q32 D82 Y86 V107R31-A84 HydrophobicContact CB-CB 3.92Å; R31-A84 HydrophobicContact CG-CB 4.33Å; Q32-A84 WeakPolarHBondContact O-CA 3.49Å; Q32-A84 WeakPolarHBondContact O-CB 3.3Å; D82-A84 PolarHBondContact O-N 2.93Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.16Å; A84-V107 PolarHBondContact N-O 3.4Å; A84-V107 VanDerWaalsContact N-O 3.13Å; A84-V107 PolarHBondContact O-N 3.04Å
85I96.4Very high85.6Confident56 Ų5644.1 Ų44.129%0.28728%0.276SS..EExtended strand (participates in β ladder)trans-87.6125.8161-52.6173.9000108R31 Q32 Y87 T105 L106R31-I85 CarbonylContact C-O 3.47Å; R31-I85 WeakPolarHBondContact CA-O 3.4Å; Q32-I85 PolarHBondContact N-O 3.08Å; Q32-I85 PolarHBondContact O-N 2.65Å; I85-Y87 HydrophobicContact CB-CE2 3.76Å; I85-Y87 HydrophobicContact CG2-CD1 4.42Å; I85-Y87 HydrophobicContact CG2-CD2 4.33Å; I85-Y87 HydrophobicContact CG2-CE1 3.73Å; I85-Y87 HydrophobicContact CG2-CE2 3.62Å; I85-Y87 VanDerWaalsContact CG2-OH 3.3Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.43Å; I85-Y87 WeakPolarHBondContact O-CE2 3.45Å; I85-T105 WeakPolarHBondContact CA-O 3.27Å; I85-L106 HydrophobicContact CG1-CB 4.38Å; I85-L106 HydrophobicContact CG1-CD1 3.95Å
86Y95.9Very high83.8Confident2 Ų252.3 Ų52.31%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-102.2127.5179.5-70.7-101.3000110.3L11 I13 R31 L41 F73 D82 A84 G104 T105 V107L11-Y86 HydrophobicContact CD2-CE1 4.4Å; L11-Y86 HydrophobicContact CD2-CE2 4.28Å; I13-Y86 VanDerWaalsContact CD1-CB 3.43Å; I13-Y86 HydrophobicContact CD1-CD1 4.17Å; I13-Y86 HydrophobicContact CD1-CD2 4.22Å; I13-Y86 HydrophobicContact CD1-CG 3.69Å; R31-Y86 HydrophobicContact CB-CD1 3.98Å; R31-Y86 HydrophobicContact CB-CE1 3.99Å; R31-Y86 HydrophobicContact CB-CG 4.33Å; L41-Y86 HydrophobicContact CD1-CD1 3.8Å; L41-Y86 HydrophobicContact CD1-CE1 3.71Å; F73-Y86 AromaticContact CE1-CD1 3.92Å; F73-Y86 HydrophobicContact CE1-CD1 3.92Å; F73-Y86 AromaticContact CE1-CE1 3.9Å; F73-Y86 HydrophobicContact CE1-CE1 3.9Å; F73-Y86 HydrophobicContact CZ-CD1 4.18Å; F73-Y86 HydrophobicContact CZ-CE1 4Å; D82-Y86 WeakPolarHBondContact O-CE2 3.46Å; D82-Y86 PolarHBondContact O-OH 3.18Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.84Å; A84-Y86 WeakPolarHBondContact O-CD2 3.16Å; Y86-G104 CarbonylContact O-C 3.58Å; Y86-G104 WeakPolarHBondContact O-CA 3.3Å; Y86-T105 PolarHBondContact N-O 3.24Å; Y86-T105 PolarHBondContact O-N 3.21Å; Y86-V107 HydrophobicContact CD2-CB 3.97Å; Y86-V107 HydrophobicContact CD2-CG2 3.76Å; Y86-V107 HydrophobicContact CE2-CB 3.85Å; Y86-V107 HydrophobicContact CE2-CG2 4.09Å
87Y95.3Very high81.8Confident38 Ų3854.8 Ų54.815%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-118.1142.4-178.3-54.7-88.5000110.4W29 V30 Q32 I85 W101W29-Y87 WeakPolarHBondContact CA-O 3.32Å; V30-Y87 PolarHBondContact N-O 3.48Å; V30-Y87 PolarHBondContact O-N 2.84Å; Q32-Y87 HydrophobicContact CB-CE2 3.95Å; I85-Y87 HydrophobicContact CB-CE2 3.76Å; I85-Y87 HydrophobicContact CG2-CD1 4.42Å; I85-Y87 HydrophobicContact CG2-CD2 4.33Å; I85-Y87 HydrophobicContact CG2-CE1 3.73Å; I85-Y87 HydrophobicContact CG2-CE2 3.62Å; I85-Y87 VanDerWaalsContact CG2-OH 3.3Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.43Å; I85-Y87 WeakPolarHBondContact O-CE2 3.45Å; Y87-W101 HydrophobicContact CD1-CE3 4.43Å; Y87-W101 HydrophobicContact CG-CE3 4.06Å; Y87-W101 HydrophobicContact CG-CZ3 4.23Å
88C94.1Very high80.1Confident17 Ų1761 Ų6112%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-99.7141.815958.90000109.6C15 V27 H28 W29 G102C15-C88 HydrophobicContact CB-CB 3.48Å; C15-C88 VanDerWaalsContact CB-CB 3.48Å; C15-C88 WeakPolarHBondContact CB-SG 3.46Å; C15-C88 WeakPolarHBondContact SG-CB 3.35Å; C15-C88 CovalentContact SG-SG 2.03Å; C15-C88 PolarHBondContact SG-SG 3.46Å; V27-C88 HydrophobicContact CG1-CB 3.97Å; H28-C88 CarbonylContact O-C 3.52Å; H28-C88 VanDerWaalsContact O-CA 3.25Å; H28-C88 WeakPolarHBondContact O-CA 3.47Å; W29-C88 HydrophobicContact CD2-CB 4.41Å; W29-C88 HydrophobicContact CE3-CB 4.24Å; W29-C88 HydrophobicContact CH2-CB 4.14Å; W29-C88 HydrophobicContact CZ2-CB 4.27Å; W29-C88 HydrophobicContact CZ3-CB 4.1Å; C88-G102 PolarHBondContact O-N 2.98Å
89A92.2Very high79Confident5 Ų562 Ų624%0.04135%0.348CS..EExtended strand (participates in β ladder)trans-137.5134.6179.600000111.4V27 H28 Y100 W101V27-A89 CarbonylContact C-O 3.6Å; V27-A89 WeakPolarHBondContact CA-O 3.44Å; H28-A89 PolarHBondContact N-O 3.2Å; H28-A89 PolarHBondContact O-N 2.74Å; A89-Y100 CarbonylContact C-O 3.43Å; A89-Y100 VanDerWaalsContact CA-O 3.28Å; A89-Y100 WeakPolarHBondContact CA-O 3.47Å; A89-W101 HydrophobicContact CB-CD2 3.74Å; A89-W101 HydrophobicContact CB-CE3 3.92Å; A89-W101 HydrophobicContact CB-CG 4.23Å; A89-W101 HydrophobicContact CB-CH2 4.35Å; A89-W101 HydrophobicContact CB-CZ2 4.2Å; A89-W101 HydrophobicContact CB-CZ3 4.23Å
90R89.1Confident78.5Confident39 Ų3964.6 Ų64.615%0.14736%0.355CS..EExtended strand (participates in β ladder)trans-68.9133.2174.9-170.5-170.176.5179.33.5110F20 Y25 S92 A99 Y100F20-R90 HydrophobicContact CD1-CG 4.17Å; F20-R90 HydrophobicContact CD2-CG 4.08Å; F20-R90 HydrophobicContact CE1-CB 3.94Å; F20-R90 HydrophobicContact CE1-CG 3.84Å; F20-R90 HydrophobicContact CE2-CB 4.44Å; F20-R90 HydrophobicContact CE2-CG 3.76Å; F20-R90 HydrophobicContact CG-CG 4.26Å; F20-R90 HydrophobicContact CZ-CB 3.82Å; F20-R90 HydrophobicContact CZ-CG 3.62Å; Y25-R90 HydrophobicContact CD1-CG 4.37Å; Y25-R90 HydrophobicContact CG-CG 4.23Å; R90-S92 PolarHBondContact O-N 3.05Å; R90-A99 WeakPolarHBondContact O-CB 3.48Å; R90-Y100 VanDerWaalsContact CZ-CE2 3.42Å; R90-Y100 PolarHBondContact N-O 3.35Å
91N77.4Confident78.4Confident32 Ų3267 Ų6717%0.17135%0.351CS..PPolyproline II helixtrans-63.3123.5167-172.7-67.7000109.6Y25 G26 H28 W45 G93Y25-N91 WeakPolarHBondContact CD1-O 3.42Å; G26-N91 WeakPolarHBondContact O-CB 3.49Å; G26-N91 PolarHBondContact O-N 2.82Å; H28-N91 PolarHBondContact NE2-ND2 3.13Å; W45-N91 WeakPolarHBondContact CZ3-ND2 3.25Å; N91-G93 PolarHBondContact OD1-N 3.29Å
92S65.8Low78.4Confident23 Ų2362.4 Ų62.416%0.16133%0.333CS..PPolyproline II helixtrans-102120.9160.353.60000106.1R90 D94R90-S92 PolarHBondContact O-N 3.05Å; S92-D94 PolarHBondContact O-N 3.36Å
93G59.3Low78.4Confident64 Ų6471.5 Ų71.566%0.6638%0.375SS*.SBendtrans-52.6-9.7-169.900000116.6N91N91-G93 PolarHBondContact OD1-N 3.29Å
94D53.3Low78.3Confident140 Ų14071.2 Ų71.275%0.74938%0.378SS*.SBendtrans-131.692-173.5-22.7-52.8000109.6S92 Y96S92-D94 PolarHBondContact O-N 3.36Å; D94-Y96 PolarHBondContact O-N 3.07Å
95G54Low78.2Confident64 Ų6473.1 Ų73.166%0.6639%0.39SS*.SBendtrans42.863.2155.300000118.8P97G95-P97 VanDerWaalsContact C-CD 3.49Å; G95-P97 WeakPolarHBondContact O-CD 3.36Å
96Y56.2Low78.1Confident171 Ų17175.5 Ų75.567%0.67140%0.403SS*.SBendtrans53.552.9150.9-63.6-86.4000121D94D94-Y96 PolarHBondContact O-N 3.07Å
97P50.1Low78Confident108 Ų10875.4 Ų75.470%0.70140%0.403SS*.SBendtrans-127.9-4.7155.620.33.3000114.2G95G95-P97 VanDerWaalsContact C-CD 3.49Å; G95-P97 WeakPolarHBondContact O-CD 3.36Å
98R55.5Low77.8Confident200 Ų20076.2 Ų76.276%0.75541%0.412SS*.SBendtrans-132.728.1-176.6-62.4-174.8-177.5138.7-1.3113.6Y100R98-Y100 PolarHBondContact O-N 3.25Å
99A67.4Low77.6Confident22 Ų2275.7 Ų75.718%0.18241%0.408CS..PPolyproline II helixtrans-69125.9171.200000108.8R90R90-A99 WeakPolarHBondContact O-CB 3.48Å
100Y82.3Confident77.3Confident157 Ų15777.8 Ų77.862%0.61642%0.422SS*.PPolyproline II helixtrans-80.3123.3171.3-71.9-93.3000108.2A89 R90 R98A89-Y100 CarbonylContact C-O 3.43Å; A89-Y100 VanDerWaalsContact CA-O 3.28Å; A89-Y100 WeakPolarHBondContact CA-O 3.47Å; R90-Y100 VanDerWaalsContact CZ-CE2 3.42Å; R90-Y100 PolarHBondContact N-O 3.35Å; R98-Y100 PolarHBondContact O-N 3.25Å
101W89.2Confident76.2Confident110 Ų11082.4 Ų82.442%0.41747%0.468SS..BIsolated β-bridgetrans-102.8140.4-179.5-6878000110.8V30 L38 Y87 A89V30-W101 HydrophobicContact CB-CH2 4Å; V30-W101 HydrophobicContact CB-CZ3 3.76Å; V30-W101 HydrophobicContact CG1-CH2 3.94Å; V30-W101 HydrophobicContact CG1-CZ3 3.93Å; V30-W101 HydrophobicContact CG2-CH2 3.78Å; V30-W101 HydrophobicContact CG2-CZ3 3.95Å; L38-W101 HydrophobicContact CD1-CH2 3.96Å; L38-W101 HydrophobicContact CD1-CZ2 4.42Å; Y87-W101 HydrophobicContact CD1-CE3 4.43Å; Y87-W101 HydrophobicContact CG-CE3 4.06Å; Y87-W101 HydrophobicContact CG-CZ3 4.23Å; A89-W101 HydrophobicContact CB-CD2 3.74Å; A89-W101 HydrophobicContact CB-CE3 3.92Å; A89-W101 HydrophobicContact CB-CG 4.23Å; A89-W101 HydrophobicContact CB-CH2 4.35Å; A89-W101 HydrophobicContact CB-CZ2 4.2Å; A89-W101 HydrophobicContact CB-CZ3 4.23Å
102G90.5Very high76.2Confident27 Ų2784.9 Ų84.928%0.27848%0.483SS..PPolyproline II helixtrans-67.6162.4162.800000111.1C88 G104C88-G102 PolarHBondContact O-N 2.98Å; G102-G104 PolarHBondContact O-N 3.36Å
103Q91.6Very high76.7Confident193 Ų19388.2 Ų88.290%0.90250%0.5SS*.  trans-63.2-14.7179.7-66.6-63.7-40.500113.9
104G92.5Very high77.7Confident26 Ų2689.5 Ų89.527%0.26849%0.491SS..  trans85.5155.8-175.700000112.4Y86 G102Y86-G104 CarbonylContact O-C 3.58Å; Y86-G104 WeakPolarHBondContact O-CA 3.3Å; G102-G104 PolarHBondContact O-N 3.36Å
105T94.2Very high79.1Confident41 Ų4186.5 Ų86.525%0.25248%0.476SS..EExtended strand (participates in β ladder)trans-127.8115.7174.6-63.90000108.3P2 I85 Y86 V107P2-T105 VanDerWaalsContact CD-CG2 3.48Å; P2-T105 HydrophobicContact CG-CG2 3.43Å; P2-T105 VanDerWaalsContact CG-CG2 3.43Å; I85-T105 WeakPolarHBondContact CA-O 3.27Å; Y86-T105 PolarHBondContact N-O 3.24Å; Y86-T105 PolarHBondContact O-N 3.21Å; T105-V107 HydrophobicContact CG2-CG2 4.31Å; T105-V107 PolarHBondContact O-N 3.34Å
106L94.4Very high80.7Confident107 Ų10787.9 Ų87.956%0.5647%0.465SS*.EExtended strand (participates in β ladder)trans-70.2124.2172.2176.963.6000109.1I85I85-L106 HydrophobicContact CG1-CB 4.38Å; I85-L106 HydrophobicContact CG1-CD1 3.95Å
107V93Very high82.3Confident0 Ų082.4 Ų82.40%045%0.451CS..EExtended strand (participates in β ladder)trans-117.9127171.1179.60000108V5 L11 I13 T83 A84 Y86 T105 V109V5-V107 HydrophobicContact CG2-CG1 3.74Å; L11-V107 HydrophobicContact CD1-CG1 4.09Å; L11-V107 HydrophobicContact CD1-CG2 3.77Å; L11-V107 HydrophobicContact CD2-CB 4.43Å; L11-V107 HydrophobicContact CD2-CG1 4.1Å; L11-V107 HydrophobicContact CD2-CG2 3.93Å; L11-V107 HydrophobicContact CG-CG2 4.5Å; I13-V107 HydrophobicContact CD1-CG2 4.2Å; T83-V107 WeakPolarHBondContact CA-O 3.25Å; A84-V107 PolarHBondContact N-O 3.4Å; A84-V107 VanDerWaalsContact N-O 3.13Å; A84-V107 PolarHBondContact O-N 3.04Å; Y86-V107 HydrophobicContact CD2-CB 3.97Å; Y86-V107 HydrophobicContact CD2-CG2 3.76Å; Y86-V107 HydrophobicContact CE2-CB 3.85Å; Y86-V107 HydrophobicContact CE2-CG2 4.09Å; T105-V107 HydrophobicContact CG2-CG2 4.31Å; T105-V107 PolarHBondContact O-N 3.34Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
108T92.7Very high84.6Confident55 Ų5580.6 Ų80.634%0.33743%0.433SS..  trans-112.4122.3175.9-55.40000108.9L4 V5 T83L4-T108 HydrophobicContact CD1-CG2 3.95Å; V5-T108 WeakPolarHBondContact CG2-O 3.44Å; V5-T108 PolarHBondContact N-O 2.59Å; V5-T108 VanDerWaalsContact N-O 3.13Å; T83-T108 HydrophobicContact CG2-CG2 4.47Å
109V89.8Confident86.9Confident6 Ų671.4 Ų71.44%0.03641%0.408CS..BIsolated β-bridgetrans-107107.8174.2-166.20000108V5 P7 L78 Q79 D82 T83 V107V5-V109 HydrophobicContact CG2-CB 4.36Å; V5-V109 HydrophobicContact CG2-CG2 3.82Å; V5-V109 WeakPolarHBondContact O-CA 3.45Å; P7-V109 HydrophobicContact CG-CG1 4.35Å; L78-V109 HydrophobicContact CB-CG1 4.09Å; L78-V109 HydrophobicContact CB-CG2 4.3Å; L78-V109 HydrophobicContact CD1-CG2 4.46Å; Q79-V109 WeakPolarHBondContact O-CB 3.39Å; Q79-V109 WeakPolarHBondContact O-CG1 3.46Å; Q79-V109 WeakPolarHBondContact O-CG2 3.29Å; D82-V109 HydrophobicContact CB-CG2 4.19Å; T83-V109 PolarHBondContact OG1-N 3.35Å; T83-V109 PolarHBondContact OG1-O 2.9Å; V107-V109 HydrophobicContact CG1-CG2 4.4Å
110S84.9Confident88.5Confident48 Ų4875.5 Ų75.534%0.33643%0.427SS..  trans-130.1150.4175.178.60000110.6L4 V5 P7L4-S110 WeakPolarHBondContact CD1-OG 3.44Å; V5-S110 PolarHBondContact O-N 3.19Å; P7-S110 WeakPolarHBondContact CD-O 3.2Å
111A67.1Low89.1Confident136 Ų13668.1 Ų68.1100%1.12441%0.41SS*.  trans-64.50168.400000111.3

Retrieved 111 of 111 residues in 22.3 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).