A0A060WYG7_ONCMY Loading...

WD repeat domain phosphoinositide-interacting protein 3

AlphaFold DB , UniProt , Accession A0A060WYG7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.2Very high91.2Very high30 Ų3063 Ų6315%0.14841%0.409CS..  0131.3059.3179.8-178.900109.1L3 L13 Y15 A16 V308 A323M1-L3 HydrophobicContact CB-CD2 4.47Å; M1-L3 HydrophobicContact CE-CD1 3.95Å; M1-L3 HydrophobicContact CG-CD2 4.27Å; M1-L3 HydrophobicContact CG-CG 4.32Å; M1-L3 HydrophobicContact SD-CD1 4.28Å; M1-L3 HydrophobicContact SD-CD2 3.97Å; M1-L3 HydrophobicContact SD-CG 4.35Å; M1-L13 HydrophobicContact CE-CD2 3.9Å; M1-Y15 WeakPolarHBondContact O-CA 3.27Å; M1-Y15 WeakPolarHBondContact O-CD2 3.18Å; M1-A16 HydrophobicContact CE-CB 3.43Å; M1-A16 VanDerWaalsContact CE-CB 3.43Å; M1-A16 HydrophobicContact CG-CB 4.01Å; M1-A16 PolarHBondContact N-O 2.82Å; M1-A16 PolarHBondContact O-N 2.73Å; M1-V308 HydrophobicContact CB-CG1 3.73Å; M1-V308 HydrophobicContact CG-CG1 3.87Å; M1-V308 VanDerWaalsContact N-CG1 3.29Å; M1-A323 HydrophobicContact CE-CB 4.25Å; M1-A323 HydrophobicContact SD-CB 4.24Å
2N92.5Very high91.5Very high79 Ų7958.9 Ų58.942%0.42239%0.387SS..BIsolated β-bridgetrans-97.9124.5170.6-175.6-12.6000107.6L4N2-L4 WeakPolarHBondContact OD1-CB 3.44Å; N2-L4 WeakPolarHBondContact OD1-CD1 2.97Å; N2-L4 VanDerWaalsContact OD1-CG 3.23Å; N2-L4 WeakPolarHBondContact OD1-CG 3.5Å; N2-L4 PolarHBondContact OD1-N 2.74Å
3L94.4Very high91.9Very high24 Ų2454.4 Ų54.413%0.12636%0.357CS..  trans-112.912.1-178-52.3173.9000111.8M1 S6 N7 L13 L14 A323M1-L3 HydrophobicContact CB-CD2 4.47Å; M1-L3 HydrophobicContact CE-CD1 3.95Å; M1-L3 HydrophobicContact CG-CD2 4.27Å; M1-L3 HydrophobicContact CG-CG 4.32Å; M1-L3 HydrophobicContact SD-CD1 4.28Å; M1-L3 HydrophobicContact SD-CD2 3.97Å; M1-L3 HydrophobicContact SD-CG 4.35Å; L3-S6 CarbonylContact O-C 3.53Å; L3-S6 PolarHBondContact O-N 3.24Å; L3-N7 HydrophobicContact CB-CB 4.22Å; L3-N7 HydrophobicContact CD1-CB 4.34Å; L3-N7 PolarHBondContact O-N 2.9Å; L3-L13 HydrophobicContact CD1-CB 4.41Å; L3-L13 HydrophobicContact CD1-CD2 3.78Å; L3-L13 HydrophobicContact CD1-CG 3.86Å; L3-L14 CarbonylContact C-O 3.18Å; L3-L14 WeakPolarHBondContact CA-O 3.37Å; L3-L14 VanDerWaalsContact CB-O 3.32Å; L3-L14 WeakPolarHBondContact CB-O 3.27Å; L3-L14 PolarHBondContact N-O 2.74Å; L3-A323 HydrophobicContact CD1-CB 3.81Å; L3-A323 HydrophobicContact CD2-CB 3.86Å
4L91.1Very high92.3Very high66 Ų6650.6 Ų50.635%0.34633%0.332SS..  trans-65.6154.7175.5-67.9171.2000111.8N2 S6 L14N2-L4 WeakPolarHBondContact OD1-CB 3.44Å; N2-L4 WeakPolarHBondContact OD1-CD1 2.97Å; N2-L4 VanDerWaalsContact OD1-CG 3.23Å; N2-L4 WeakPolarHBondContact OD1-CG 3.5Å; N2-L4 PolarHBondContact OD1-N 2.74Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-L14 HydrophobicContact CD2-CB 4.08Å; L4-L14 HydrophobicContact CD2-CD1 4.23Å; L4-L14 HydrophobicContact CD2-CD2 4.2Å; L4-L14 HydrophobicContact CD2-CG 4.41Å
5P84.8Confident92.7Very high102 Ų10248.3 Ų48.366%0.66231%0.314SS*.SBendcis-77.3-15.1-2.332.1-35.7000113.6
6S82.7Confident93Very high63 Ų6345.3 Ų45.344%0.44129%0.294SS..  trans-156.3141.7178.960.70000111.2L3 L4L3-S6 CarbonylContact O-C 3.53Å; L3-S6 PolarHBondContact O-N 3.24Å; L4-S6 VanDerWaalsContact C-N 3.34Å
7N91.9Very high93.3Very high20 Ų2043 Ų4311%0.10728%0.281CS..  trans-81.3134.2174.418014.9000111.9L3 H9 G10 N11 L13 A323L3-N7 HydrophobicContact CB-CB 4.22Å; L3-N7 HydrophobicContact CD1-CB 4.34Å; L3-N7 PolarHBondContact O-N 2.9Å; N7-H9 PolarHBondContact O-N 3.36Å; N7-H9 VanDerWaalsContact O-N 3.12Å; N7-H9 PolarHBondContact OD1-CD2 3.26Å; N7-H9 PolarHBondContact OD1-N 3.4Å; N7-G10 PolarHBondContact O-N 3.37Å; N7-G10 VanDerWaalsContact O-N 3.14Å; N7-N11 PolarHBondContact ND2-OD1 3.26Å; N7-L13 WeakPolarHBondContact CB-O 3.38Å; N7-A323 PolarHBondContact ND2-O 2.81Å
8A91.8Very high93.6Very high103 Ų10342.1 Ų42.185%0.85127%0.272SS*.THydrogen-bonded Turntrans-60.3-22.5-179.700000113.7
9H94.6Very high93.8Very high88 Ų8840.2 Ų40.241%0.40726%0.259SS..THydrogen-bonded Turntrans-81.4-9-179.9-65.2-72.4000114.4N7 N11 S305N7-H9 PolarHBondContact O-N 3.36Å; N7-H9 VanDerWaalsContact O-N 3.12Å; N7-H9 PolarHBondContact OD1-CD2 3.26Å; N7-H9 PolarHBondContact OD1-N 3.4Å; H9-N11 PolarHBondContact O-N 3.21Å; H9-N11 VanDerWaalsContact O-N 3.11Å; H9-S305 PolarHBondContact CE1-OG 3.21Å; H9-S305 PolarHBondContact NE2-OG 3.11Å
10G93.4Very high93.9Very high72 Ų7239.5 Ų39.574%0.74225%0.253SS*.  trans64.116176.600000115.4N7 G12N7-G10 PolarHBondContact O-N 3.37Å; N7-G10 VanDerWaalsContact O-N 3.14Å; G10-G12 VanDerWaalsContact C-N 3.31Å
11N94.3Very high93.9Very high46 Ų4640.7 Ų40.725%0.24626%0.257CS..SBendtrans-89.69.4-178.564.97.5000113.7N7 H9 L13 A323 D324 L347N7-N11 PolarHBondContact ND2-OD1 3.26Å; H9-N11 PolarHBondContact O-N 3.21Å; H9-N11 VanDerWaalsContact O-N 3.11Å; N11-L13 PolarHBondContact O-N 3.21Å; N11-L13 VanDerWaalsContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CB 3.08Å; N11-L13 PolarHBondContact OD1-N 3.34Å; N11-A323 PolarHBondContact ND2-O 3.33Å; N11-D324 PolarHBondContact ND2-O 3.18Å; N11-L347 HydrophobicContact CB-CD1 4.09Å
12G94.4Very high94.2Very high14 Ų1440.6 Ų40.614%0.14426%0.256CS..SBendtrans73.7-1.8-179.800000115.7G10 M29 E30G10-G12 VanDerWaalsContact C-N 3.31Å; G12-M29 CarbonylContact O-C 3.41Å; G12-M29 VanDerWaalsContact O-CA 3.24Å; G12-M29 WeakPolarHBondContact O-CA 3.14Å; G12-E30 PolarHBondContact O-N 2.82Å
13L96.9Very high94.4Very high0 Ų037.6 Ų37.60%024%0.244CC..EExtended strand (participates in β ladder)trans-71.6127.4176.4-174.268.3000110.5M1 L3 N7 N11 Y15 C27 M29 F346 L347M1-L13 HydrophobicContact CE-CD2 3.9Å; L3-L13 HydrophobicContact CD1-CB 4.41Å; L3-L13 HydrophobicContact CD1-CD2 3.78Å; L3-L13 HydrophobicContact CD1-CG 3.86Å; N7-L13 WeakPolarHBondContact CB-O 3.38Å; N11-L13 PolarHBondContact O-N 3.21Å; N11-L13 VanDerWaalsContact OD1-CB 3.27Å; N11-L13 WeakPolarHBondContact OD1-CB 3.08Å; N11-L13 PolarHBondContact OD1-N 3.34Å; L13-Y15 WeakPolarHBondContact CD1-O 3.46Å; L13-C27 HydrophobicContact CD1-CB 3.59Å; L13-M29 HydrophobicContact CB-CE 4.4Å; L13-M29 HydrophobicContact CB-SD 4.33Å; L13-M29 HydrophobicContact CD1-SD 3.53Å; L13-M29 VanDerWaalsContact CD1-SD 3.53Å; L13-F346 HydrophobicContact CD2-CZ 4.24Å; L13-L347 HydrophobicContact CB-CD1 4.38Å
14L97.4Very high94.6Very high1 Ų136.9 Ų36.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-112.5-26180-60.3179000112.9L3 L4 G28 E30L3-L14 CarbonylContact C-O 3.18Å; L3-L14 WeakPolarHBondContact CA-O 3.37Å; L3-L14 VanDerWaalsContact CB-O 3.32Å; L3-L14 WeakPolarHBondContact CB-O 3.27Å; L3-L14 PolarHBondContact N-O 2.74Å; L4-L14 HydrophobicContact CD2-CB 4.08Å; L4-L14 HydrophobicContact CD2-CD1 4.23Å; L4-L14 HydrophobicContact CD2-CD2 4.2Å; L4-L14 HydrophobicContact CD2-CG 4.41Å; L14-G28 WeakPolarHBondContact CA-O 3.12Å; L14-G28 PolarHBondContact N-O 3.31Å; L14-E30 HydrophobicContact CD1-CG 4.13Å; L14-E30 HydrophobicContact CD2-CG 3.8Å; L14-E30 HydrophobicContact CG-CG 4.05Å
15Y98.1Very high94.9Very high16 Ų1633.7 Ų33.76%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-154.2148.2-178.7170.8-93000110.2M1 L13 C27 G28 G65 H66 V67M1-Y15 WeakPolarHBondContact O-CA 3.27Å; M1-Y15 WeakPolarHBondContact O-CD2 3.18Å; L13-Y15 WeakPolarHBondContact CD1-O 3.46Å; Y15-C27 CarbonylContact O-C 3.56Å; Y15-C27 WeakPolarHBondContact O-CA 3.48Å; Y15-G28 PolarHBondContact N-O 3.43Å; Y15-G28 VanDerWaalsContact N-O 3.16Å; Y15-G28 PolarHBondContact O-N 3.25Å; Y15-G65 VanDerWaalsContact CB-O 3.26Å; Y15-G65 WeakPolarHBondContact CB-O 3.17Å; Y15-H66 AromaticContact CD2-ND1 3.81Å; Y15-H66 AromaticContact CE2-CE1 3.7Å; Y15-H66 AromaticContact CE2-ND1 3.4Å; Y15-H66 WeakPolarHBondContact CE2-ND1 3.44Å; Y15-H66 AromaticContact CZ-CE1 3.88Å; Y15-H66 AromaticContact CZ-ND1 3.85Å; Y15-V67 HydrophobicContact CD1-CB 4.26Å; Y15-V67 HydrophobicContact CE1-CB 4.22Å; Y15-V67 WeakPolarHBondContact CE1-O 3.24Å; Y15-V67 PolarHBondContact OH-O 2.73Å
16A98.1Very high95.6Very high0 Ų028.9 Ų28.90%019%0.193CC..EExtended strand (participates in β ladder)trans-142.1134.1163.300000110.6M1 A26 I321M1-A16 HydrophobicContact CE-CB 3.43Å; M1-A16 VanDerWaalsContact CE-CB 3.43Å; M1-A16 HydrophobicContact CG-CB 4.01Å; M1-A16 PolarHBondContact N-O 2.82Å; M1-A16 PolarHBondContact O-N 2.73Å; A16-A26 CarbonylContact C-O 3.57Å; A16-A26 VanDerWaalsContact CA-O 3.29Å; A16-A26 WeakPolarHBondContact CA-O 3.5Å; A16-I321 HydrophobicContact CB-CG2 4.43Å
17G98.1Very high96.3Very high7 Ų725.9 Ų25.97%0.07217%0.172CC..EExtended strand (participates in β ladder)trans-152.1142.5179.600000112.1F25 A26 M69G17-F25 CarbonylContact O-C 3.57Å; G17-F25 VanDerWaalsContact O-CA 3.27Å; G17-F25 WeakPolarHBondContact O-CA 3.29Å; G17-A26 PolarHBondContact N-O 3.08Å; G17-A26 PolarHBondContact O-N 2.82Å; G17-M69 WeakPolarHBondContact O-CE 3.41Å
18F98.4Very high96.6Very high26 Ų2624.9 Ų24.911%0.11417%0.167CC..EExtended strand (participates in β ladder)trans-73153.6172.2-66.3-73.1000111.1H22 C24 F25 T38 V308 S310 I321F18-H22 HydrophobicContact CB-CB 4.39Å; F18-H22 HydrophobicContact CD1-CB 4.26Å; F18-H22 HydrophobicContact CG-CB 4.37Å; F18-C24 WeakPolarHBondContact CA-O 3.38Å; F18-F25 HydrophobicContact CD1-CB 3.84Å; F18-F25 HydrophobicContact CE1-CB 4.16Å; F18-T38 HydrophobicContact CD1-CG2 4.34Å; F18-T38 HydrophobicContact CE1-CG2 3.72Å; F18-V308 HydrophobicContact CD2-CB 4.41Å; F18-V308 HydrophobicContact CD2-CG2 4.25Å; F18-V308 HydrophobicContact CE2-CB 3.9Å; F18-V308 HydrophobicContact CE2-CG2 3.64Å; F18-V308 HydrophobicContact CZ-CG2 4.19Å; F18-S310 VanDerWaalsContact CE1-OG 3.23Å; F18-S310 WeakPolarHBondContact CE1-OG 3.29Å; F18-S310 WeakPolarHBondContact CZ-OG 3.37Å; F18-I321 HydrophobicContact CD1-CD1 4.35Å; F18-I321 HydrophobicContact CE1-CD1 3.42Å; F18-I321 VanDerWaalsContact CE1-CD1 3.42Å; F18-I321 HydrophobicContact CE1-CG1 4.42Å; F18-I321 HydrophobicContact CE2-CD1 4.42Å; F18-I321 HydrophobicContact CZ-CD1 3.47Å; F18-I321 VanDerWaalsContact CZ-CD1 3.47Å; F18-I321 HydrophobicContact CZ-CG1 4.1Å
19N97.3Very high96.8Very high6 Ų620.2 Ų20.23%0.03213%0.127CC..  trans-73.7179.7162.473.2-21.7000110.1D21 H22 G23 C24 M69 F71N19-D21 VanDerWaalsContact C-N 3.31Å; N19-D21 PolarHBondContact ND2-OD1 2.98Å; N19-D21 PolarHBondContact O-N 3.2Å; N19-D21 PolarHBondContact OD1-OD1 3.42Å; N19-H22 PolarHBondContact O-N 2.65Å; N19-H22 VanDerWaalsContact O-N 3.11Å; N19-H22 WeakPolarHBondContact OD1-CA 3.44Å; N19-H22 PolarHBondContact OD1-N 3.37Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; N19-G23 PolarHBondContact OD1-N 2.86Å; N19-C24 HydrophobicContact CB-CB 4.49Å; N19-C24 PolarHBondContact N-O 3.45Å; N19-C24 PolarHBondContact OD1-N 2.89Å; N19-C24 PolarHBondContact OD1-O 3.36Å; N19-M69 HydrophobicContact CB-CB 3.98Å; N19-M69 HydrophobicContact CB-CE 3.6Å; N19-M69 HydrophobicContact CB-SD 3.96Å; N19-F71 PolarHBondContact ND2-O 3.2Å; N19-F71 VanDerWaalsContact ND2-O 3.14Å
20Q95.6Very high96.8Very high26 Ų2619.5 Ų19.512%0.12112%0.124CC..THydrogen-bonded Turntrans-59.2-36.8-170-66.578-4.100113.4M69 F71 L117 P159 L205Q20-M69 PolarHBondContact NE2-O 3.26Å; Q20-M69 PolarHBondContact OE1-O 2.8Å; Q20-F71 HydrophobicContact CB-CD1 3.88Å; Q20-F71 HydrophobicContact CB-CE1 3.75Å; Q20-F71 HydrophobicContact CB-CG 4.41Å; Q20-F71 HydrophobicContact CB-CZ 4.2Å; Q20-F71 HydrophobicContact CG-CD1 4.47Å; Q20-F71 HydrophobicContact CG-CD2 4.5Å; Q20-F71 HydrophobicContact CG-CE1 4.42Å; Q20-F71 HydrophobicContact CG-CE2 4.45Å; Q20-F71 HydrophobicContact CG-CZ 4.46Å; Q20-L117 PolarHBondContact NE2-O 3.42Å; Q20-P159 HydrophobicContact CB-CB 3.68Å; Q20-P159 HydrophobicContact CB-CG 4.09Å; Q20-P159 HydrophobicContact CG-CB 3.59Å; Q20-P159 HydrophobicContact CG-CG 4.42Å; Q20-L205 WeakPolarHBondContact O-CD2 3.26Å
21D94.5Very high96.7Very high65 Ų6518.2 Ų18.235%0.34810%0.1SC..THydrogen-bonded Turntrans-100.46.2-179.668.8-2.8000113.8N19 G23N19-D21 VanDerWaalsContact C-N 3.31Å; N19-D21 PolarHBondContact ND2-OD1 2.98Å; N19-D21 PolarHBondContact O-N 3.2Å; N19-D21 PolarHBondContact OD1-OD1 3.42Å; D21-G23 PolarHBondContact O-N 2.67Å; D21-G23 PolarHBondContact OD1-N 3.48Å
22H97.6Very high96.6Very high28 Ų2816 Ų1613%0.139%0.089CC..SBendtrans59.37.6-175.6-39.3121.7000115.5F18 N19 C24 T38 N247F18-H22 HydrophobicContact CB-CB 4.39Å; F18-H22 HydrophobicContact CD1-CB 4.26Å; F18-H22 HydrophobicContact CG-CB 4.37Å; N19-H22 PolarHBondContact O-N 2.65Å; N19-H22 VanDerWaalsContact O-N 3.11Å; N19-H22 WeakPolarHBondContact OD1-CA 3.44Å; N19-H22 PolarHBondContact OD1-N 3.37Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; H22-C24 VanDerWaalsContact C-N 3.26Å; H22-C24 PolarHBondContact O-N 3.46Å; H22-T38 WeakPolarHBondContact O-CB 2.99Å; H22-T38 PolarHBondContact O-OG1 2.86Å; H22-N247 PolarHBondContact NE2-OD1 3.45Å
23G97.4Very high96.7Very high16 Ų1615.4 Ų15.417%0.1658%0.082CC..SBendtrans-73.4-17.8179.800000114N19 D21 T38 R72N19-G23 PolarHBondContact OD1-N 2.86Å; D21-G23 PolarHBondContact O-N 2.67Å; D21-G23 PolarHBondContact OD1-N 3.48Å; G23-T38 PolarHBondContact O-N 3.3Å; G23-T38 PolarHBondContact O-OG1 2.86Å; G23-R72 PolarHBondContact O-NH2 2.9Å
24C98.3Very high96.6Very high9 Ų916.4 Ų16.46%0.0619%0.086CC..EExtended strand (participates in β ladder)trans-133.2159.4170.4-61.50000110.9F18 N19 H22 V35 Y36 T38 M69F18-C24 WeakPolarHBondContact CA-O 3.38Å; N19-C24 HydrophobicContact CB-CB 4.49Å; N19-C24 PolarHBondContact N-O 3.45Å; N19-C24 PolarHBondContact OD1-N 2.89Å; N19-C24 PolarHBondContact OD1-O 3.36Å; H22-C24 VanDerWaalsContact C-N 3.26Å; H22-C24 PolarHBondContact O-N 3.46Å; C24-V35 HydrophobicContact CB-CG1 4.5Å; C24-Y36 CarbonylContact C-O 3.57Å; C24-Y36 WeakPolarHBondContact CA-O 3.35Å; C24-Y36 VanDerWaalsContact CB-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 2.92Å; C24-T38 VanDerWaalsContact CA-OG1 3.24Å; C24-T38 WeakPolarHBondContact CA-OG1 3.36Å; C24-T38 PolarHBondContact N-OG1 2.81Å; C24-M69 HydrophobicContact CB-SD 4.03Å
25F98.5Very high96.6Very high0 Ų017.2 Ų17.20%09%0.091CC..EExtended strand (participates in β ladder)trans-131.8148164.368-87.6000110.7G17 F18 Y36 T38 L41 I321 Y327 F346G17-F25 CarbonylContact O-C 3.57Å; G17-F25 VanDerWaalsContact O-CA 3.27Å; G17-F25 WeakPolarHBondContact O-CA 3.29Å; F18-F25 HydrophobicContact CD1-CB 3.84Å; F18-F25 HydrophobicContact CE1-CB 4.16Å; F25-Y36 AromaticContact CD2-CD2 3.84Å; F25-Y36 HydrophobicContact CD2-CD2 3.84Å; F25-Y36 HydrophobicContact CD2-CG 4.4Å; F25-Y36 HydrophobicContact CE1-CD2 4.37Å; F25-Y36 AromaticContact CE1-CG 4Å; F25-Y36 HydrophobicContact CE1-CG 4Å; F25-Y36 AromaticContact CE2-CD2 3.24Å; F25-Y36 HydrophobicContact CE2-CD2 3.24Å; F25-Y36 AromaticContact CE2-CE2 3.95Å; F25-Y36 HydrophobicContact CE2-CE2 3.95Å; F25-Y36 AromaticContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CZ-CD1 4.21Å; F25-Y36 AromaticContact CZ-CD2 3.56Å; F25-Y36 HydrophobicContact CZ-CD2 3.56Å; F25-Y36 HydrophobicContact CZ-CE2 4.41Å; F25-Y36 AromaticContact CZ-CG 3.45Å; F25-Y36 HydrophobicContact CZ-CG 3.45Å; F25-Y36 VanDerWaalsContact CZ-CG 3.45Å; F25-Y36 PolarHBondContact N-O 3.38Å; F25-Y36 PolarHBondContact O-N 3.23Å; F25-T38 HydrophobicContact CD1-CG2 4.47Å; F25-L41 HydrophobicContact CE1-CD1 3.64Å; F25-L41 HydrophobicContact CZ-CD1 3.75Å; F25-I321 HydrophobicContact CB-CD1 3.76Å; F25-I321 HydrophobicContact CD1-CD1 3.35Å; F25-I321 HydrophobicContact CD2-CD1 3.63Å; F25-I321 HydrophobicContact CD2-CG2 4.42Å; F25-I321 HydrophobicContact CE1-CD1 3.69Å; F25-I321 HydrophobicContact CE1-CG1 4.48Å; F25-I321 HydrophobicContact CE2-CD1 3.94Å; F25-I321 HydrophobicContact CE2-CG2 4.22Å; F25-I321 HydrophobicContact CG-CD1 3.3Å; F25-I321 HydrophobicContact CZ-CD1 3.97Å; F25-Y327 HydrophobicContact CE1-CD2 4.45Å; F25-F346 HydrophobicContact CE2-CD2 4Å; F25-F346 HydrophobicContact CE2-CE2 4.13Å; F25-F346 HydrophobicContact CE2-CG 4.34Å; F25-F346 HydrophobicContact CZ-CB 4.43Å; F25-F346 HydrophobicContact CZ-CD2 4.28Å; F25-F346 HydrophobicContact CZ-CG 4.22Å
26A98.3Very high96.6Very high0 Ų016.4 Ų16.40%09%0.088CC..EExtended strand (participates in β ladder)trans-116.6147.7176.100000110.6A16 G17 R34 V35 V67 M69A16-A26 CarbonylContact C-O 3.57Å; A16-A26 VanDerWaalsContact CA-O 3.29Å; A16-A26 WeakPolarHBondContact CA-O 3.5Å; G17-A26 PolarHBondContact N-O 3.08Å; G17-A26 PolarHBondContact O-N 2.82Å; A26-R34 CarbonylContact C-O 3.53Å; A26-R34 VanDerWaalsContact CA-O 3.29Å; A26-R34 WeakPolarHBondContact CA-O 3.29Å; A26-V35 HydrophobicContact CB-CG2 4.26Å; A26-V67 HydrophobicContact CB-CB 3.92Å; A26-V67 HydrophobicContact CB-CG1 3.53Å; A26-M69 HydrophobicContact CB-CE 3.57Å; A26-M69 HydrophobicContact CB-CG 4.05Å; A26-M69 HydrophobicContact CB-SD 3.78Å; A26-M69 VanDerWaalsContact N-CE 3.29Å
27C97.9Very high96.5Very high0 Ų018.1 Ų18.10%010%0.096CC..EExtended strand (participates in β ladder)trans-121127.5179.1-66.60000109.9L13 Y15 M29 F33 R34L13-C27 HydrophobicContact CD1-CB 3.59Å; Y15-C27 CarbonylContact O-C 3.56Å; Y15-C27 WeakPolarHBondContact O-CA 3.48Å; C27-M29 HydrophobicContact CB-SD 4Å; C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.24Å; C27-F33 VanDerWaalsContact O-CB 3.3Å; C27-F33 WeakPolarHBondContact O-CB 3.29Å; C27-R34 HydrophobicContact CB-CB 4.42Å; C27-R34 PolarHBondContact N-O 2.94Å; C27-R34 PolarHBondContact O-N 2.81Å
28G97.3Very high96.5Very high0 Ų017.9 Ų17.90%09%0.094CC..EExtended strand (participates in β ladder)trans-86.4133.816400000109L14 Y15 V64L14-G28 WeakPolarHBondContact CA-O 3.12Å; L14-G28 PolarHBondContact N-O 3.31Å; Y15-G28 PolarHBondContact N-O 3.43Å; Y15-G28 VanDerWaalsContact N-O 3.16Å; Y15-G28 PolarHBondContact O-N 3.25Å; G28-V64 CarbonylContact C-O 3.59Å; G28-V64 WeakPolarHBondContact CA-O 3.25Å
29M95.9Very high96.5Very high4 Ų418 Ų182%0.0210%0.096CC..EExtended strand (participates in β ladder)trans-124.2159.6-174.9-52.2-62-64.300110.6G12 L13 C27 N31 G32 R34 G63 V64 L347G12-M29 CarbonylContact O-C 3.41Å; G12-M29 VanDerWaalsContact O-CA 3.24Å; G12-M29 WeakPolarHBondContact O-CA 3.14Å; L13-M29 HydrophobicContact CB-CE 4.4Å; L13-M29 HydrophobicContact CB-SD 4.33Å; L13-M29 HydrophobicContact CD1-SD 3.53Å; L13-M29 VanDerWaalsContact CD1-SD 3.53Å; C27-M29 HydrophobicContact CB-SD 4Å; M29-N31 WeakPolarHBondContact CB-OD1 3.47Å; M29-N31 PolarHBondContact O-N 2.76Å; M29-N31 VanDerWaalsContact O-N 3.14Å; M29-G32 WeakPolarHBondContact CA-O 3.12Å; M29-G32 WeakPolarHBondContact CB-O 3.42Å; M29-G32 PolarHBondContact N-O 3.28Å; M29-G32 PolarHBondContact O-N 2.8Å; M29-G32 VanDerWaalsContact O-O 3.14Å; M29-R34 HydrophobicContact CG-CG 4.23Å; M29-G63 CarbonylContact O-C 3.35Å; M29-G63 WeakPolarHBondContact O-CA 3.1Å; M29-V64 PolarHBondContact N-O 3.06Å; M29-V64 PolarHBondContact O-N 2.87Å; M29-L347 HydrophobicContact CE-CD1 4.35Å; M29-L347 HydrophobicContact CE-CD2 3.68Å; M29-L347 HydrophobicContact SD-CD2 4Å
30E94.2Very high96.5Very high74 Ų7422.6 Ų22.635%0.34613%0.126SC..THydrogen-bonded Turntrans-60.9-18.2171.6-75.4-166.2171.200113.2G12 L14 G62 G63G12-E30 PolarHBondContact O-N 2.82Å; L14-E30 HydrophobicContact CD1-CG 4.13Å; L14-E30 HydrophobicContact CD2-CG 3.8Å; L14-E30 HydrophobicContact CG-CG 4.05Å; E30-G62 CarbonylContact O-C 3.54Å; E30-G63 VanDerWaalsContact O-CA 3.24Å; E30-G63 WeakPolarHBondContact O-CA 3.36Å; E30-G63 PolarHBondContact O-N 3.05Å
31N91.4Very high96.6Very high45 Ų4522.6 Ų22.624%0.24113%0.127CC..THydrogen-bonded Turntrans-124.114.8-178.367.4-16.3000114.3M29 G48 G62M29-N31 WeakPolarHBondContact CB-OD1 3.47Å; M29-N31 PolarHBondContact O-N 2.76Å; M29-N31 VanDerWaalsContact O-N 3.14Å; N31-G48 WeakPolarHBondContact O-CA 3.25Å; N31-G62 CarbonylContact C-O 3.55Å
32G93.6Very high96.6Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans144.4-136.6174.500000113.5M29 Q47 G62 V64M29-G32 WeakPolarHBondContact CA-O 3.12Å; M29-G32 WeakPolarHBondContact CB-O 3.42Å; M29-G32 PolarHBondContact N-O 3.28Å; M29-G32 PolarHBondContact O-N 2.8Å; M29-G32 VanDerWaalsContact O-O 3.14Å; G32-Q47 WeakPolarHBondContact CA-O 3.37Å; G32-G62 PolarHBondContact N-O 3.22Å; G32-V64 WeakPolarHBondContact O-CB 3.42Å
33F95.2Very high96.5Very high1 Ų123.6 Ų23.60%0.00413%0.128CC..EExtended strand (participates in β ladder)trans-145160.5177.572.7-90.4000112.1C27 V35 E45 Q47 F59 V67 L76 L78 W95C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.24Å; C27-F33 VanDerWaalsContact O-CB 3.3Å; C27-F33 WeakPolarHBondContact O-CB 3.29Å; F33-V35 HydrophobicContact CD2-CG2 4.2Å; F33-V35 HydrophobicContact CE2-CG2 4.2Å; F33-E45 HydrophobicContact CE2-CG 4.19Å; F33-Q47 HydrophobicContact CD1-CB 3.88Å; F33-Q47 HydrophobicContact CE1-CB 3.46Å; F33-Q47 VanDerWaalsContact CE1-CB 3.46Å; F33-Q47 HydrophobicContact CE1-CG 3.77Å; F33-Q47 HydrophobicContact CE2-CB 4.31Å; F33-Q47 HydrophobicContact CE2-CG 4.19Å; F33-Q47 HydrophobicContact CG-CB 4.48Å; F33-Q47 HydrophobicContact CZ-CB 3.7Å; F33-Q47 HydrophobicContact CZ-CG 3.52Å; F33-Q47 PolarHBondContact N-O 3.16Å; F33-Q47 PolarHBondContact O-N 2.98Å; F33-F59 HydrophobicContact CD1-CE1 4.46Å; F33-F59 HydrophobicContact CD1-CE2 4.12Å; F33-F59 AromaticContact CD1-CZ 3.87Å; F33-F59 HydrophobicContact CD1-CZ 3.87Å; F33-F59 HydrophobicContact CE1-CD2 4.41Å; F33-F59 AromaticContact CE1-CE2 3.84Å; F33-F59 HydrophobicContact CE1-CE2 3.84Å; F33-F59 HydrophobicContact CE1-CZ 4.09Å; F33-V67 HydrophobicContact CB-CG2 3.95Å; F33-L76 HydrophobicContact CE2-CD1 4.49Å; F33-L76 HydrophobicContact CE2-CD2 4.18Å; F33-L78 HydrophobicContact CD1-CD1 4.13Å; F33-L78 HydrophobicContact CD1-CD2 4.22Å; F33-L78 HydrophobicContact CE1-CD1 3.97Å; F33-L78 HydrophobicContact CE1-CD2 4.46Å; F33-L78 HydrophobicContact CG-CD2 4.45Å; F33-W95 AromaticContact CZ-CD1 3.97Å; F33-W95 HydrophobicContact CZ-CG 4.44Å; F33-W95 AromaticContact CZ-NE1 3.78Å
34R95.7Very high96.3Very high20 Ų2028.3 Ų28.38%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-134.7150176.2-54.5-171.8-170.6-172.49.9110.5A26 C27 M29 Y36 E43 E45 K46 L347A26-R34 CarbonylContact C-O 3.53Å; A26-R34 VanDerWaalsContact CA-O 3.29Å; A26-R34 WeakPolarHBondContact CA-O 3.29Å; C27-R34 HydrophobicContact CB-CB 4.42Å; C27-R34 PolarHBondContact N-O 2.94Å; C27-R34 PolarHBondContact O-N 2.81Å; M29-R34 HydrophobicContact CG-CG 4.23Å; R34-Y36 HydrophobicContact CB-CD2 4.43Å; R34-Y36 HydrophobicContact CB-CE2 3.58Å; R34-Y36 WeakPolarHBondContact CD-OH 3.43Å; R34-Y36 PolarHBondContact NH1-OH 3.4Å; R34-E43 IonicContact NH1-OE2 2.68Å; R34-E43 PolarHBondContact NH1-OE2 3.5Å; R34-E45 CarbonylContact C-O 3.49Å; R34-E45 VanDerWaalsContact CA-O 3.29Å; R34-E45 WeakPolarHBondContact CA-O 3.47Å; R34-K46 HydrophobicContact CG-CB 4.37Å; R34-K46 HydrophobicContact CG-CG 4.11Å; R34-L347 PolarHBondContact NH1-O 2.85Å
35V96.8Very high95.9Very high18 Ų1829.5 Ų29.511%0.10915%0.148CC..EExtended strand (participates in β ladder)trans-127.7137.6173.9-174.70000108.8C24 A26 F33 K44 E45 M69 L76C24-V35 HydrophobicContact CB-CG1 4.5Å; A26-V35 HydrophobicContact CB-CG2 4.26Å; F33-V35 HydrophobicContact CD2-CG2 4.2Å; F33-V35 HydrophobicContact CE2-CG2 4.2Å; V35-K44 WeakPolarHBondContact O-CB 2.91Å; V35-K44 PolarHBondContact O-N 3Å; V35-E45 HydrophobicContact CB-CB 3.98Å; V35-E45 HydrophobicContact CG2-CB 4.18Å; V35-E45 PolarHBondContact N-O 2.83Å; V35-E45 PolarHBondContact O-N 2.95Å; V35-M69 HydrophobicContact CG1-SD 3.93Å; V35-L76 HydrophobicContact CG2-CD2 3.9Å
36Y97.6Very high95.6Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-127.9143.3-179.7-60.6-92.7000110.1C24 F25 R34 L41 K42 E43 F346C24-Y36 CarbonylContact C-O 3.57Å; C24-Y36 WeakPolarHBondContact CA-O 3.35Å; C24-Y36 VanDerWaalsContact CB-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 2.92Å; F25-Y36 AromaticContact CD2-CD2 3.84Å; F25-Y36 HydrophobicContact CD2-CD2 3.84Å; F25-Y36 HydrophobicContact CD2-CG 4.4Å; F25-Y36 HydrophobicContact CE1-CD2 4.37Å; F25-Y36 AromaticContact CE1-CG 4Å; F25-Y36 HydrophobicContact CE1-CG 4Å; F25-Y36 AromaticContact CE2-CD2 3.24Å; F25-Y36 HydrophobicContact CE2-CD2 3.24Å; F25-Y36 AromaticContact CE2-CE2 3.95Å; F25-Y36 HydrophobicContact CE2-CE2 3.95Å; F25-Y36 AromaticContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CZ-CD1 4.21Å; F25-Y36 AromaticContact CZ-CD2 3.56Å; F25-Y36 HydrophobicContact CZ-CD2 3.56Å; F25-Y36 HydrophobicContact CZ-CE2 4.41Å; F25-Y36 AromaticContact CZ-CG 3.45Å; F25-Y36 HydrophobicContact CZ-CG 3.45Å; F25-Y36 VanDerWaalsContact CZ-CG 3.45Å; F25-Y36 PolarHBondContact N-O 3.38Å; F25-Y36 PolarHBondContact O-N 3.23Å; R34-Y36 HydrophobicContact CB-CD2 4.43Å; R34-Y36 HydrophobicContact CB-CE2 3.58Å; R34-Y36 WeakPolarHBondContact CD-OH 3.43Å; R34-Y36 PolarHBondContact NH1-OH 3.4Å; Y36-L41 HydrophobicContact CD1-CD1 4.32Å; Y36-K42 CarbonylContact C-O 3.52Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.42Å; Y36-E43 HydrophobicContact CD1-CB 3.83Å; Y36-E43 HydrophobicContact CD1-CG 4.07Å; Y36-E43 HydrophobicContact CE1-CB 3.63Å; Y36-E43 HydrophobicContact CE1-CG 3.6Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.27Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.38Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.24Å; Y36-E43 PolarHBondContact OH-OE2 2.93Å; Y36-F346 HydrophobicContact CD2-CD2 4.47Å; Y36-F346 HydrophobicContact CE1-CB 4.4Å; Y36-F346 HydrophobicContact CE1-CD2 4.43Å; Y36-F346 WeakPolarHBondContact CE1-O 3.49Å; Y36-F346 AromaticContact CE2-CD2 3.85Å; Y36-F346 HydrophobicContact CE2-CD2 3.85Å; Y36-F346 HydrophobicContact CE2-CE2 4.36Å; Y36-F346 AromaticContact CZ-CD2 3.86Å; Y36-F346 PolarHBondContact OH-O 3.45Å
37N97.9Very high95.1Very high35 Ų3532 Ų3219%0.18716%0.159CC..EExtended strand (participates in β ladder)trans-65139154.5-79.9-16.8000108.3P40 L41 K42 K44 R72N37-P40 WeakPolarHBondContact CB-O 3.3Å; N37-L41 WeakPolarHBondContact O-CA 3.17Å; N37-K42 HydrophobicContact CB-CB 4.25Å; N37-K42 PolarHBondContact N-O 3.5Å; N37-K42 PolarHBondContact O-N 3.18Å; N37-K44 HydrophobicContact CB-CG 4.38Å; N37-R72 PolarHBondContact OD1-NH1 2.98Å
38T98.1Very high94.2Very high3 Ų332.7 Ų32.72%0.01817%0.167CC..THydrogen-bonded Turntrans-77.6-51.8-177.2-53.30000112F18 H22 G23 C24 F25 L41 I319 Y327F18-T38 HydrophobicContact CD1-CG2 4.34Å; F18-T38 HydrophobicContact CE1-CG2 3.72Å; H22-T38 WeakPolarHBondContact O-CB 2.99Å; H22-T38 PolarHBondContact O-OG1 2.86Å; G23-T38 PolarHBondContact O-N 3.3Å; G23-T38 PolarHBondContact O-OG1 2.86Å; C24-T38 VanDerWaalsContact CA-OG1 3.24Å; C24-T38 WeakPolarHBondContact CA-OG1 3.36Å; C24-T38 PolarHBondContact N-OG1 2.81Å; F25-T38 HydrophobicContact CD1-CG2 4.47Å; T38-L41 PolarHBondContact O-N 3.03Å; T38-I319 HydrophobicContact CG2-CB 4.48Å; T38-I319 HydrophobicContact CG2-CD1 3.53Å; T38-I319 HydrophobicContact CG2-CG2 4.03Å; T38-Y327 WeakPolarHBondContact O-CE2 3.14Å; T38-Y327 PolarHBondContact O-OH 3.32Å
39D97.5Very high92.6Very high28 Ų2836 Ų3615%0.1519%0.187CC..THydrogen-bonded Turntrans-146.8115-175.6-168.414000109.8T313 I319 K329D39-T313 PolarHBondContact O-OG1 2.86Å; D39-T313 PolarHBondContact OD2-N 2.84Å; D39-I319 HydrophobicContact CB-CD1 3.67Å; D39-K329 IonicContact OD1-NZ 2.87Å; D39-K329 PolarHBondContact OD1-NZ 3.29Å; D39-K329 WeakPolarHBondContact OD2-CE 3.41Å; D39-K329 IonicContact OD2-NZ 3.22Å; D39-K329 PolarHBondContact OD2-NZ 2.95Å
40P97Very high90.5Very high102 Ų10241.9 Ų41.966%0.66221%0.214SC*.THydrogen-bonded Turncis-65.1144.1-7.329.2-34.9000111.9N37 K42N37-P40 WeakPolarHBondContact CB-O 3.3Å; P40-K42 PolarHBondContact O-N 3.18Å
41L97.6Very high88.3Confident27 Ų2742.3 Ų42.314%0.14122%0.216CC..THydrogen-bonded Turntrans-61.1122.2179.4177.467.1000110.6F25 Y36 N37 T38 Y327 A344 F346 M349F25-L41 HydrophobicContact CE1-CD1 3.64Å; F25-L41 HydrophobicContact CZ-CD1 3.75Å; Y36-L41 HydrophobicContact CD1-CD1 4.32Å; N37-L41 WeakPolarHBondContact O-CA 3.17Å; T38-L41 PolarHBondContact O-N 3.03Å; L41-Y327 HydrophobicContact CB-CE1 4.29Å; L41-Y327 HydrophobicContact CB-CE2 4.34Å; L41-Y327 HydrophobicContact CD1-CD2 3.92Å; L41-Y327 HydrophobicContact CD1-CE2 4.12Å; L41-Y327 HydrophobicContact CD1-CG 4.38Å; L41-Y327 HydrophobicContact CD2-CD1 3.85Å; L41-Y327 HydrophobicContact CD2-CD2 4.12Å; L41-Y327 HydrophobicContact CD2-CE1 4.37Å; L41-Y327 HydrophobicContact CD2-CG 3.74Å; L41-Y327 HydrophobicContact CG-CD2 4.46Å; L41-A344 HydrophobicContact CD2-CB 3.51Å; L41-F346 HydrophobicContact CD1-CB 4.36Å; L41-F346 HydrophobicContact CD2-CB 4.19Å; L41-M349 HydrophobicContact CD1-SD 4.35Å; L41-M349 HydrophobicContact CD2-CE 4.25Å; L41-M349 HydrophobicContact CD2-SD 3.52Å; L41-M349 VanDerWaalsContact CD2-SD 3.52Å; L41-M349 HydrophobicContact CG-CE 4.07Å; L41-M349 HydrophobicContact CG-SD 3.66Å
42K95.8Very high86Confident92 Ų9245.4 Ų45.440%0.424%0.24SC..EExtended strand (participates in β ladder)trans-153.6130.9177-178.7169.2-177.6167.80111.2Y36 N37 P40 K44 I354Y36-K42 CarbonylContact C-O 3.52Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.42Å; N37-K42 HydrophobicContact CB-CB 4.25Å; N37-K42 PolarHBondContact N-O 3.5Å; N37-K42 PolarHBondContact O-N 3.18Å; P40-K42 PolarHBondContact O-N 3.18Å; K42-K44 PolarHBondContact O-N 2.79Å; K42-I354 HydrophobicContact CD-CD1 3.91Å; K42-I354 HydrophobicContact CG-CD1 4.15Å
43E94.1Very high83.6Confident22 Ų2251.8 Ų51.810%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-65.6128.9171-163.4165.999.300109.2R34 Y36 K46R34-E43 IonicContact NH1-OE2 2.68Å; R34-E43 PolarHBondContact NH1-OE2 3.5Å; Y36-E43 HydrophobicContact CD1-CB 3.83Å; Y36-E43 HydrophobicContact CD1-CG 4.07Å; Y36-E43 HydrophobicContact CE1-CB 3.63Å; Y36-E43 HydrophobicContact CE1-CG 3.6Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.27Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.38Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.24Å; Y36-E43 PolarHBondContact OH-OE2 2.93Å; E43-K46 VanDerWaalsContact OE1-CD 3.27Å; E43-K46 WeakPolarHBondContact OE1-CD 3.41Å
44K92.9Very high81.2Confident114 Ų11457.1 Ų57.150%0.49631%0.311SS..EExtended strand (participates in β ladder)trans-109.5-34.9-176.2-76.7-57.5-56.2161.60112.2V35 N37 K42V35-K44 WeakPolarHBondContact O-CB 2.91Å; V35-K44 PolarHBondContact O-N 3Å; N37-K44 HydrophobicContact CB-CG 4.38Å; K42-K44 PolarHBondContact O-N 2.79Å
45E91.3Very high78.9Confident34 Ų3465.1 Ų65.116%0.15935%0.35CS..EExtended strand (participates in β ladder)trans-153.5139.9-175.6-173.159.7-147.200109.3F33 R34 V35 Q47 K100F33-E45 HydrophobicContact CE2-CG 4.19Å; R34-E45 CarbonylContact C-O 3.49Å; R34-E45 VanDerWaalsContact CA-O 3.29Å; R34-E45 WeakPolarHBondContact CA-O 3.47Å; V35-E45 HydrophobicContact CB-CB 3.98Å; V35-E45 HydrophobicContact CG2-CB 4.18Å; V35-E45 PolarHBondContact N-O 2.83Å; V35-E45 PolarHBondContact O-N 2.95Å; E45-Q47 HydrophobicContact CG-CG 4.24Å; E45-Q47 WeakPolarHBondContact OE1-CG 3.24Å; E45-Q47 PolarHBondContact OE1-NE2 3.35Å; E45-K100 IonicContact OE1-NZ 2.74Å; E45-K100 PolarHBondContact OE1-NZ 3.22Å; E45-K100 IonicContact OE2-NZ 3.06Å; E45-K100 PolarHBondContact OE2-NZ 2.78Å
46K90.6Very high76.6Confident40 Ų4066 Ų6617%0.17436%0.357CS..EExtended strand (participates in β ladder)trans-143109.2173.1175.3169.4163-155.30108.7R34 E43 H51R34-K46 HydrophobicContact CG-CB 4.37Å; R34-K46 HydrophobicContact CG-CG 4.11Å; E43-K46 VanDerWaalsContact OE1-CD 3.27Å; E43-K46 WeakPolarHBondContact OE1-CD 3.41Å; K46-H51 PolarHBondContact NZ-CD2 3.14Å; K46-H51 PolarHBondContact NZ-NE2 3.17Å
47Q87.9Confident74.5Confident13 Ų1372.8 Ų72.86%0.06139%0.389CS..EExtended strand (participates in β ladder)trans-108.7122.4177.2-71.9-63.9-43.100109.1G32 F33 E45 F59 W95G32-Q47 WeakPolarHBondContact CA-O 3.37Å; F33-Q47 HydrophobicContact CD1-CB 3.88Å; F33-Q47 HydrophobicContact CE1-CB 3.46Å; F33-Q47 VanDerWaalsContact CE1-CB 3.46Å; F33-Q47 HydrophobicContact CE1-CG 3.77Å; F33-Q47 HydrophobicContact CE2-CB 4.31Å; F33-Q47 HydrophobicContact CE2-CG 4.19Å; F33-Q47 HydrophobicContact CG-CB 4.48Å; F33-Q47 HydrophobicContact CZ-CB 3.7Å; F33-Q47 HydrophobicContact CZ-CG 3.52Å; F33-Q47 PolarHBondContact N-O 3.16Å; F33-Q47 PolarHBondContact O-N 2.98Å; E45-Q47 HydrophobicContact CG-CG 4.24Å; E45-Q47 WeakPolarHBondContact OE1-CG 3.24Å; E45-Q47 PolarHBondContact OE1-NE2 3.35Å; Q47-F59 HydrophobicContact CB-CD2 4.43Å; Q47-F59 HydrophobicContact CB-CG 4.25Å; Q47-W95 HydrophobicContact CG-CZ2 4.22Å
48G80.3Confident72.5Confident15 Ų1575.7 Ų75.716%0.15540%0.401CS..EExtended strand (participates in β ladder)trans152.1-176.9-17700000113.8N31 Q50N31-G48 WeakPolarHBondContact O-CA 3.25Å; G48-Q50 PolarHBondContact O-N 3.3Å
49T62.5Low70.9Confident68 Ų6875.9 Ų75.942%0.41740%0.401SS..THydrogen-bonded Turntrans-64.21.7-166.441.40000117.9M60T49-M60 WeakPolarHBondContact CG2-O 3.36Å
50Q52.9Low68.9Low129 Ų12980.7 Ų80.760%0.60343%0.425SS*.THydrogen-bonded Turntrans-115.8-4.5-174.7-74.3-175.2-8.400115.8G48G48-Q50 PolarHBondContact O-N 3.3Å
51H47.5Very low68Low82 Ų8281.8 Ų81.838%0.3842%0.421SS..  trans-121.982167.9-81.4-73.2000109.5K46 D53K46-H51 PolarHBondContact NZ-CD2 3.14Å; K46-H51 PolarHBondContact NZ-NE2 3.17Å; H51-D53 VanDerWaalsContact C-N 3.29Å; H51-D53 PolarHBondContact O-N 3.11Å
52C42.8Very low67.6Low111 Ų11180.9 Ų80.975%0.7542%0.418SS*.  trans-88.270.5173.2-460000108.8
53D44.1Very low67.6Low134 Ų13476.5 Ų76.572%0.71740%0.399SS*.  trans-75.2131.8147.4-72-28.4000105.9H51 E55H51-D53 VanDerWaalsContact C-N 3.29Å; H51-D53 PolarHBondContact O-N 3.11Å; D53-E55 PolarHBondContact O-N 3.39Å
54S44.4Very low67.7Low112 Ų11275.4 Ų75.478%0.78339%0.394SS*.THydrogen-bonded Turntrans-58.96.1-164.243.30000117.1
55E47.3Very low67.9Low188 Ų18870 Ų7088%0.87937%0.371SS*.THydrogen-bonded Turntrans-103.1-20.3-171.3-65.6-168.715500115.2D53D53-E55 PolarHBondContact O-N 3.39Å
56S49.8Very low68.2Low37 Ų3769.1 Ų69.126%0.25937%0.366SS..  trans-11069.9-178.561.20000113.6E58S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 PolarHBondContact O-N 3.15Å
57Q52.2Low68.6Low143 Ų14367.2 Ų67.267%0.66836%0.358SS*.G310 helixtrans-72.1-13.6178.4-69.8-176.4-5.500114.6F59 M60Q57-F59 VanDerWaalsContact C-N 3.31Å; Q57-F59 PolarHBondContact O-N 3.17Å; Q57-M60 WeakPolarHBondContact O-CG 3.31Å
58E55.3Low69.1Low96 Ų9667.1 Ų67.145%0.44936%0.358SS..G310 helixtrans-68.6-26.8-177.2-78-165.6-174.200113.6S56 M60 K86 K101 T102S56-E58 VanDerWaalsContact C-N 3.3Å; S56-E58 PolarHBondContact O-N 3.15Å; E58-M60 PolarHBondContact O-N 3.21Å; E58-K86 WeakPolarHBondContact O-CE 3.14Å; E58-K86 PolarHBondContact O-NZ 3.34Å; E58-K101 VanDerWaalsContact CD-CB 3.46Å; E58-K101 WeakPolarHBondContact OE1-CB 3.29Å; E58-K101 WeakPolarHBondContact OE2-CA 3.32Å; E58-K101 WeakPolarHBondContact OE2-CB 3.43Å; E58-T102 PolarHBondContact OE2-N 2.8Å
59F64.7Low69.9Low6 Ų667 Ų673%0.02635%0.353CS..G310 helixtrans-101.441.8-173.8-125.5-75.4000113.8F33 Q47 Q57 E61 V64 L78 K86 Y87 W95F33-F59 HydrophobicContact CD1-CE1 4.46Å; F33-F59 HydrophobicContact CD1-CE2 4.12Å; F33-F59 AromaticContact CD1-CZ 3.87Å; F33-F59 HydrophobicContact CD1-CZ 3.87Å; F33-F59 HydrophobicContact CE1-CD2 4.41Å; F33-F59 AromaticContact CE1-CE2 3.84Å; F33-F59 HydrophobicContact CE1-CE2 3.84Å; F33-F59 HydrophobicContact CE1-CZ 4.09Å; Q47-F59 HydrophobicContact CB-CD2 4.43Å; Q47-F59 HydrophobicContact CB-CG 4.25Å; Q57-F59 VanDerWaalsContact C-N 3.31Å; Q57-F59 PolarHBondContact O-N 3.17Å; F59-E61 PolarHBondContact O-N 2.9Å; F59-V64 HydrophobicContact CE1-CG2 4.11Å; F59-V64 HydrophobicContact CZ-CG2 3.8Å; F59-L78 HydrophobicContact CE2-CD1 4.07Å; F59-L78 HydrophobicContact CZ-CD1 4.26Å; F59-K86 HydrophobicContact CE1-CG 4.42Å; F59-K86 HydrophobicContact CZ-CG 4.38Å; F59-Y87 HydrophobicContact CZ-CE2 4.44Å; F59-W95 HydrophobicContact CD2-CE3 4.25Å; F59-W95 AromaticContact CD2-CH2 3.68Å; F59-W95 HydrophobicContact CD2-CH2 3.68Å; F59-W95 HydrophobicContact CD2-CZ2 4.35Å; F59-W95 AromaticContact CD2-CZ3 3.63Å; F59-W95 HydrophobicContact CD2-CZ3 3.63Å; F59-W95 HydrophobicContact CE2-CE3 4.15Å; F59-W95 HydrophobicContact CE2-CH2 4.36Å; F59-W95 AromaticContact CE2-CZ3 3.98Å; F59-W95 HydrophobicContact CE2-CZ3 3.98Å
60M57.3Low71.5Confident129 Ų12964 Ų6464%0.63534%0.335SS*.SBendtrans-77.5-11.9-172-85.8-156.3-6900117.5T49 Q57 E58T49-M60 WeakPolarHBondContact CG2-O 3.36Å; Q57-M60 WeakPolarHBondContact O-CG 3.31Å; E58-M60 PolarHBondContact O-N 3.21Å
61E76.8Confident73.4Confident125 Ų12560.2 Ų60.258%0.58432%0.316SS*.SBendtrans-172.3144.8177.3-156176.1163.500111.3F59 K86F59-E61 PolarHBondContact O-N 2.9Å; E61-K86 WeakPolarHBondContact O-CD 3.33Å
62G89.8Confident75.5Confident8 Ų863.4 Ų63.48%0.08233%0.325CS..  trans115.8154.7165.800000115.1E30 N31 G32 K84E30-G62 CarbonylContact O-C 3.54Å; N31-G62 CarbonylContact C-O 3.55Å; G32-G62 PolarHBondContact N-O 3.22Å; G62-K84 CarbonylContact C-O 3.52Å; G62-K84 VanDerWaalsContact CA-O 3.25Å; G62-K84 WeakPolarHBondContact CA-O 3.42Å
63G94.8Very high77.9Confident0 Ų060.7 Ų60.70%031%0.307CS..BIsolated β-bridgetrans-88.7147.4-172.700000114.4M29 E30 G80 G81 K84 K86M29-G63 CarbonylContact O-C 3.35Å; M29-G63 WeakPolarHBondContact O-CA 3.1Å; E30-G63 VanDerWaalsContact O-CA 3.24Å; E30-G63 WeakPolarHBondContact O-CA 3.36Å; E30-G63 PolarHBondContact O-N 3.05Å; G63-G80 WeakPolarHBondContact O-CA 3.38Å; G63-G81 CarbonylContact C-O 3.51Å; G63-G81 VanDerWaalsContact C-O 3.3Å; G63-G81 WeakPolarHBondContact CA-O 3.09Å; G63-G81 PolarHBondContact O-N 3.14Å; G63-K84 PolarHBondContact N-O 2.8Å; G63-K86 PolarHBondContact O-N 2.83Å
64V96.8Very high80.2Confident0 Ų056.4 Ų56.40%028%0.284CS..EExtended strand (participates in β ladder)trans-112.4119.8171.8-177.50000108.3G28 M29 G32 F59 H66 V67 L78 V79G28-V64 CarbonylContact C-O 3.59Å; G28-V64 WeakPolarHBondContact CA-O 3.25Å; M29-V64 PolarHBondContact N-O 3.06Å; M29-V64 PolarHBondContact O-N 2.87Å; G32-V64 WeakPolarHBondContact O-CB 3.42Å; F59-V64 HydrophobicContact CE1-CG2 4.11Å; F59-V64 HydrophobicContact CZ-CG2 3.8Å; V64-H66 VanDerWaalsContact CG1-O 3.31Å; V64-H66 WeakPolarHBondContact CG1-O 3.41Å; V64-V67 HydrophobicContact CG1-CG2 3.64Å; V64-L78 HydrophobicContact CG1-CB 4.19Å; V64-L78 HydrophobicContact CG1-CD2 4.22Å; V64-V79 WeakPolarHBondContact CG1-O 3.48Å
65G97Very high82.7Confident1 Ų154.3 Ų54.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-95.6-13.9-175.900000114.5Y15 V79Y15-G65 VanDerWaalsContact CB-O 3.26Å; Y15-G65 WeakPolarHBondContact CB-O 3.17Å; G65-V79 PolarHBondContact N-O 3.49Å
66H98.3Very high85Confident14 Ų1445.8 Ų45.87%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-150137.1175.8-168.884000110.1Y15 V64 L78 V79 V115Y15-H66 AromaticContact CD2-ND1 3.81Å; Y15-H66 AromaticContact CE2-CE1 3.7Å; Y15-H66 AromaticContact CE2-ND1 3.4Å; Y15-H66 WeakPolarHBondContact CE2-ND1 3.44Å; Y15-H66 AromaticContact CZ-CE1 3.88Å; Y15-H66 AromaticContact CZ-ND1 3.85Å; V64-H66 VanDerWaalsContact CG1-O 3.31Å; V64-H66 WeakPolarHBondContact CG1-O 3.41Å; H66-L78 WeakPolarHBondContact O-CA 3.29Å; H66-V79 HydrophobicContact CB-CB 3.96Å; H66-V79 HydrophobicContact CB-CG2 4.2Å; H66-V79 PolarHBondContact N-O 2.95Å; H66-V79 PolarHBondContact O-N 3.34Å; H66-V79 VanDerWaalsContact O-N 3.08Å; H66-V115 PolarHBondContact NE2-N 3.12Å; H66-V115 VanDerWaalsContact NE2-N 3.14Å
67V98.3Very high87.4Confident0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-133.3119.3176.5-173.30000108.8Y15 A26 F33 V64 L76 A77 L78Y15-V67 HydrophobicContact CD1-CB 4.26Å; Y15-V67 HydrophobicContact CE1-CB 4.22Å; Y15-V67 WeakPolarHBondContact CE1-O 3.24Å; Y15-V67 PolarHBondContact OH-O 2.73Å; A26-V67 HydrophobicContact CB-CB 3.92Å; A26-V67 HydrophobicContact CB-CG1 3.53Å; F33-V67 HydrophobicContact CB-CG2 3.95Å; V64-V67 HydrophobicContact CG1-CG2 3.64Å; V67-L76 HydrophobicContact CG1-CD2 3.71Å; V67-A77 WeakPolarHBondContact CA-O 3.41Å; V67-L78 HydrophobicContact CB-CD2 4.4Å; V67-L78 HydrophobicContact CG1-CD2 3.89Å; V67-L78 HydrophobicContact CG2-CD2 4.06Å
68E98.4Very high89.6Confident12 Ų1237.2 Ų37.26%0.05618%0.176CC..EExtended strand (participates in β ladder)trans-115117.5173.3179.376.6-174.500108.9L76 A77 V115 K116 L117E68-L76 CarbonylContact O-C 3.59Å; E68-L76 WeakPolarHBondContact O-CA 3.39Å; E68-A77 HydrophobicContact CB-CB 4.27Å; E68-A77 PolarHBondContact N-O 2.82Å; E68-A77 PolarHBondContact O-N 2.84Å; E68-V115 HydrophobicContact CB-CB 4.36Å; E68-V115 WeakPolarHBondContact CB-O 3.19Å; E68-V115 VanDerWaalsContact CD-O 3.24Å; E68-V115 VanDerWaalsContact CG-O 3.24Å; E68-V115 WeakPolarHBondContact CG-O 3.38Å; E68-K116 WeakPolarHBondContact OE1-CD 3.24Å; E68-K116 IonicContact OE1-NZ 2.72Å; E68-K116 IonicContact OE2-NZ 2.87Å; E68-K116 PolarHBondContact OE2-NZ 2.98Å; E68-L117 HydrophobicContact CG-CB 4.3Å; E68-L117 HydrophobicContact CG-CD1 4.42Å; E68-L117 HydrophobicContact CG-CG 3.95Å
69M97.9Very high91.6Very high11 Ų1132.9 Ų32.95%0.05416%0.156CC..EExtended strand (participates in β ladder)trans-82.7149.3174.8-66.3164.4-77.100110.4G17 N19 Q20 C24 A26 V35 L76G17-M69 WeakPolarHBondContact O-CE 3.41Å; N19-M69 HydrophobicContact CB-CB 3.98Å; N19-M69 HydrophobicContact CB-CE 3.6Å; N19-M69 HydrophobicContact CB-SD 3.96Å; Q20-M69 PolarHBondContact NE2-O 3.26Å; Q20-M69 PolarHBondContact OE1-O 2.8Å; C24-M69 HydrophobicContact CB-SD 4.03Å; A26-M69 HydrophobicContact CB-CE 3.57Å; A26-M69 HydrophobicContact CB-CG 4.05Å; A26-M69 HydrophobicContact CB-SD 3.78Å; A26-M69 VanDerWaalsContact N-CE 3.29Å; V35-M69 HydrophobicContact CG1-SD 3.93Å; M69-L76 HydrophobicContact CG-CD2 3.88Å
70L95.4Very high93.2Very high6 Ų632.7 Ų32.73%0.03116%0.156CC..  trans-99.489.1163.7-178.858.3000109.9R72 C73 Y75 L117 F135L70-R72 PolarHBondContact O-N 2.93Å; L70-C73 HydrophobicContact CB-CB 4.46Å; L70-C73 HydrophobicContact CG-CB 4.43Å; L70-C73 WeakPolarHBondContact O-CB 3.39Å; L70-C73 PolarHBondContact O-N 2.99Å; L70-C73 PolarHBondContact O-SG 3.03Å; L70-C73 VanDerWaalsContact O-SG 3.39Å; L70-Y75 PolarHBondContact N-O 2.78Å; L70-L117 HydrophobicContact CB-CB 4.14Å; L70-L117 HydrophobicContact CB-CD1 4.11Å; L70-L117 HydrophobicContact CD1-CB 4.05Å; L70-F135 HydrophobicContact CD2-CE1 4.12Å
71F92.8Very high95Very high49 Ų4926.9 Ų26.922%0.21513%0.128CC..THydrogen-bonded Turntrans51-117.5-171.9-71.6-84.7000111.9N19 Q20 P159N19-F71 PolarHBondContact ND2-O 3.2Å; N19-F71 VanDerWaalsContact ND2-O 3.14Å; Q20-F71 HydrophobicContact CB-CD1 3.88Å; Q20-F71 HydrophobicContact CB-CE1 3.75Å; Q20-F71 HydrophobicContact CB-CG 4.41Å; Q20-F71 HydrophobicContact CB-CZ 4.2Å; Q20-F71 HydrophobicContact CG-CD1 4.47Å; Q20-F71 HydrophobicContact CG-CD2 4.5Å; Q20-F71 HydrophobicContact CG-CE1 4.42Å; Q20-F71 HydrophobicContact CG-CE2 4.45Å; Q20-F71 HydrophobicContact CG-CZ 4.46Å; F71-P159 HydrophobicContact CE1-CB 4.19Å; F71-P159 HydrophobicContact CE2-CB 4.02Å; F71-P159 HydrophobicContact CZ-CB 3.52Å; F71-P159 HydrophobicContact CZ-CG 4.41Å; F71-P159 WeakPolarHBondContact CZ-O 3.36Å
72R92.3Very high95.8Very high149 Ų14921.8 Ų21.856%0.56211%0.11SC*.THydrogen-bonded Turntrans-115.920.6173.2-59.9-179.5-179.4-116.53.3110.7G23 N37 L70G23-R72 PolarHBondContact O-NH2 2.9Å; N37-R72 PolarHBondContact OD1-NH1 2.98Å; L70-R72 PolarHBondContact O-N 2.93Å
73C92.1Very high95.9Very high55 Ų5529 Ų2937%0.37214%0.139SC..SBendtrans-72.3165.8173.4-58.70000110L70 Y75L70-C73 HydrophobicContact CB-CB 4.46Å; L70-C73 HydrophobicContact CG-CB 4.43Å; L70-C73 WeakPolarHBondContact O-CB 3.39Å; L70-C73 PolarHBondContact O-N 2.99Å; L70-C73 PolarHBondContact O-SG 3.03Å; L70-C73 VanDerWaalsContact O-SG 3.39Å; C73-Y75 PolarHBondContact O-N 3.4Å
74N92.7Very high95.8Very high43 Ų4335.8 Ų35.823%0.2317%0.168CC..SBendtrans-76.610.4176.863.5-58.4000114.2D96 D97 L98N74-D96 PolarHBondContact ND2-OD1 3Å; N74-D96 CarbonylContact O-C 3.54Å; N74-D96 WeakPolarHBondContact O-CA 3.39Å; N74-D97 HydrophobicContact CB-CB 4.26Å; N74-D97 WeakPolarHBondContact O-CB 3.49Å; N74-D97 PolarHBondContact O-N 3.2Å; N74-L98 HydrophobicContact CB-CB 4.37Å; N74-L98 HydrophobicContact CB-CD1 3.91Å; N74-L98 HydrophobicContact CB-CG 3.64Å
75Y95.9Very high95.8Very high68 Ų6838.6 Ų38.627%0.26719%0.186SC..EExtended strand (participates in β ladder)trans-107.5128.4178.7-69.4-59.5000111.6L70 C73 I94 W95 D96 V103 F135L70-Y75 PolarHBondContact N-O 2.78Å; C73-Y75 PolarHBondContact O-N 3.4Å; Y75-I94 HydrophobicContact CD1-CG2 3.88Å; Y75-I94 HydrophobicContact CG-CG2 4.44Å; Y75-W95 WeakPolarHBondContact CA-O 3.35Å; Y75-D96 HydrophobicContact CD1-CB 4.26Å; Y75-D96 HydrophobicContact CE1-CB 3.83Å; Y75-V103 HydrophobicContact CD1-CG2 4.41Å; Y75-V103 HydrophobicContact CE1-CG2 3.95Å; Y75-F135 HydrophobicContact CD2-CE2 4.29Å; Y75-F135 HydrophobicContact CD2-CZ 4.2Å; Y75-F135 HydrophobicContact CG-CE2 4.33Å; Y75-F135 AromaticContact CG-CZ 3.98Å; Y75-F135 HydrophobicContact CG-CZ 3.98Å
76L97.6Very high95.6Very high9 Ų941.5 Ų41.55%0.04720%0.199CC..EExtended strand (participates in β ladder)trans-122.9142.3169.9-56.6101.2000109.7F33 V35 V67 E68 M69 L78 I94 W95 D97F33-L76 HydrophobicContact CE2-CD1 4.49Å; F33-L76 HydrophobicContact CE2-CD2 4.18Å; V35-L76 HydrophobicContact CG2-CD2 3.9Å; V67-L76 HydrophobicContact CG1-CD2 3.71Å; E68-L76 CarbonylContact O-C 3.59Å; E68-L76 WeakPolarHBondContact O-CA 3.39Å; M69-L76 HydrophobicContact CG-CD2 3.88Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-I94 CarbonylContact O-C 3.55Å; L76-I94 WeakPolarHBondContact O-CA 3.24Å; L76-W95 HydrophobicContact CB-CB 4.41Å; L76-W95 PolarHBondContact N-O 2.81Å; L76-W95 PolarHBondContact O-N 2.9Å; L76-D97 HydrophobicContact CD1-CB 4.05Å
77A98.4Very high95.5Very high0 Ų042 Ų420%020%0.2CC..EExtended strand (participates in β ladder)trans-96.3128.2164.500000109.6V67 E68 V92 M93 I94 V115 L117V67-A77 WeakPolarHBondContact CA-O 3.41Å; E68-A77 HydrophobicContact CB-CB 4.27Å; E68-A77 PolarHBondContact N-O 2.82Å; E68-A77 PolarHBondContact O-N 2.84Å; A77-V92 HydrophobicContact CB-CG1 4.21Å; A77-M93 CarbonylContact C-O 3.54Å; A77-M93 WeakPolarHBondContact CA-O 3.27Å; A77-I94 HydrophobicContact CB-CD1 3.72Å; A77-V115 HydrophobicContact CB-CB 4.04Å; A77-V115 HydrophobicContact CB-CG1 3.57Å; A77-V115 HydrophobicContact CB-CG2 4.48Å; A77-L117 HydrophobicContact CB-CD1 3.8Å; A77-L117 HydrophobicContact CB-CD2 4.12Å; A77-L117 HydrophobicContact CB-CG 4.11Å
78L98.4Very high95.4Very high0 Ų044.9 Ų44.90%022%0.219CC..EExtended strand (participates in β ladder)trans-117.2139.4-178.3-48.9179.1000109.7F33 F59 V64 H66 V67 L76 Y87 M93 W95F33-L78 HydrophobicContact CD1-CD1 4.13Å; F33-L78 HydrophobicContact CD1-CD2 4.22Å; F33-L78 HydrophobicContact CE1-CD1 3.97Å; F33-L78 HydrophobicContact CE1-CD2 4.46Å; F33-L78 HydrophobicContact CG-CD2 4.45Å; F59-L78 HydrophobicContact CE2-CD1 4.07Å; F59-L78 HydrophobicContact CZ-CD1 4.26Å; V64-L78 HydrophobicContact CG1-CB 4.19Å; V64-L78 HydrophobicContact CG1-CD2 4.22Å; H66-L78 WeakPolarHBondContact O-CA 3.29Å; V67-L78 HydrophobicContact CB-CD2 4.4Å; V67-L78 HydrophobicContact CG1-CD2 3.89Å; V67-L78 HydrophobicContact CG2-CD2 4.06Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L78-Y87 HydrophobicContact CD1-CE2 4.38Å; L78-M93 HydrophobicContact CB-CB 4.36Å; L78-M93 PolarHBondContact N-O 2.95Å; L78-M93 PolarHBondContact O-N 2.93Å; L78-W95 HydrophobicContact CD1-CB 3.8Å; L78-W95 HydrophobicContact CD1-CG 4.26Å; L78-W95 HydrophobicContact CG-CB 4.17Å
79V98.4Very high95.3Very high6 Ų646.6 Ų46.64%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-124.2131.2166.7-176.10000107.5V64 G65 H66 V92 V112 V115V64-V79 WeakPolarHBondContact CG1-O 3.48Å; G65-V79 PolarHBondContact N-O 3.49Å; H66-V79 HydrophobicContact CB-CB 3.96Å; H66-V79 HydrophobicContact CB-CG2 4.2Å; H66-V79 PolarHBondContact N-O 2.95Å; H66-V79 PolarHBondContact O-N 3.34Å; H66-V79 VanDerWaalsContact O-N 3.08Å; V79-V92 HydrophobicContact CG2-CG2 4.32Å; V79-V112 HydrophobicContact CG1-CB 4.08Å; V79-V112 HydrophobicContact CG2-CB 4.14Å; V79-V112 HydrophobicContact CG2-CG1 3.76Å; V79-V115 HydrophobicContact CG2-CG2 3.92Å
80G97Very high95.4Very high2 Ų247.7 Ų47.72%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-65.1147.5178.400000112G63 Y87G63-G80 WeakPolarHBondContact O-CA 3.38Å; G80-Y87 WeakPolarHBondContact CA-O 3.21Å
81G95.1Very high95.5Very high6 Ų648.9 Ų48.96%0.06224%0.242CC..  trans-164.4-177.9178.800000113.6G63 P85G63-G81 CarbonylContact C-O 3.51Å; G63-G81 VanDerWaalsContact C-O 3.3Å; G63-G81 WeakPolarHBondContact CA-O 3.09Å; G63-G81 PolarHBondContact O-N 3.14Å; G81-P85 WeakPolarHBondContact O-CA 3.17Å
82G94.1Very high95.8Very high19 Ų1946.6 Ų46.620%0.19623%0.232CC..SBendtrans80.9-167.9-175.300000112.6K84G82-K84 VanDerWaalsContact C-N 3.32Å; G82-K84 PolarHBondContact O-N 2.85Å
83K92.5Very high96.1Very high158 Ų15839.9 Ų39.969%0.68721%0.207SC*.SBendtrans-67.8-31.1-175.7-62.2173.5-173.3162.90113.5
84K93.4Very high96.3Very high144 Ų14437.3 Ų37.363%0.62619%0.19SC*.SBendtrans-132.879179.9-69.4-176.2176.5-1730108.7G62 G63 G82G62-K84 CarbonylContact C-O 3.52Å; G62-K84 VanDerWaalsContact CA-O 3.25Å; G62-K84 WeakPolarHBondContact CA-O 3.42Å; G63-K84 PolarHBondContact N-O 2.8Å; G82-K84 VanDerWaalsContact C-N 3.32Å; G82-K84 PolarHBondContact O-N 2.85Å
85P95.1Very high96.5Very high58 Ų5835.3 Ų35.338%0.37718%0.179SC..BIsolated β-bridgetrans-68.8138.3-174.131.2-37.3000111.3G81 Y87G81-P85 WeakPolarHBondContact O-CA 3.17Å; P85-Y87 VanDerWaalsContact C-N 3.28Å; P85-Y87 WeakPolarHBondContact CB-O 3.29Å; P85-Y87 PolarHBondContact O-N 2.94Å
86K94.1Very high96.5Very high62 Ų6232.1 Ų32.127%0.2717%0.167SC..SBendtrans-61.8-39.6176.6173.169.3-176.4-178.80111.8E58 F59 E61 G63E58-K86 WeakPolarHBondContact O-CE 3.14Å; E58-K86 PolarHBondContact O-NZ 3.34Å; F59-K86 HydrophobicContact CE1-CG 4.42Å; F59-K86 HydrophobicContact CZ-CG 4.38Å; E61-K86 WeakPolarHBondContact O-CD 3.33Å; G63-K86 PolarHBondContact O-N 2.83Å
87Y95.1Very high96.1Very high26 Ų2633.4 Ų33.410%0.10217%0.173CC..SBendtrans-124.2153.1-179.3-52.4-70.6000109.2F59 L78 G80 P85 M93 T102F59-Y87 HydrophobicContact CZ-CE2 4.44Å; L78-Y87 HydrophobicContact CD1-CE2 4.38Å; G80-Y87 WeakPolarHBondContact CA-O 3.21Å; P85-Y87 VanDerWaalsContact C-N 3.28Å; P85-Y87 WeakPolarHBondContact CB-O 3.29Å; P85-Y87 PolarHBondContact O-N 2.94Å; Y87-M93 HydrophobicContact CD1-CE 3.79Å; Y87-M93 HydrophobicContact CD1-CG 3.59Å; Y87-M93 HydrophobicContact CD1-SD 3.98Å; Y87-M93 HydrophobicContact CD2-CB 4.38Å; Y87-M93 HydrophobicContact CD2-CG 3.56Å; Y87-M93 HydrophobicContact CE1-CE 3.74Å; Y87-M93 HydrophobicContact CE1-CG 3.8Å; Y87-M93 HydrophobicContact CE1-SD 4.38Å; Y87-M93 HydrophobicContact CE2-CB 4.2Å; Y87-M93 HydrophobicContact CE2-CG 3.78Å; Y87-M93 HydrophobicContact CG-CG 3.45Å; Y87-M93 VanDerWaalsContact CG-CG 3.45Å; Y87-M93 HydrophobicContact CG-SD 4.23Å; Y87-T102 PolarHBondContact OH-OG1 3.06Å
88P97.1Very high95.7Very high59 Ų5940.1 Ų40.138%0.38321%0.208SC..  trans-53.3138169.3-26.235.2000111.7N90 K91P88-N90 WeakPolarHBondContact CB-OD1 2.94Å; P88-N90 PolarHBondContact O-N 2.86Å; P88-N90 VanDerWaalsContact O-N 3.09Å; P88-K91 HydrophobicContact CB-CD 4.24Å; P88-K91 HydrophobicContact CB-CG 4.1Å; P88-K91 HydrophobicContact CG-CD 3.96Å; P88-K91 HydrophobicContact CG-CG 4.37Å; P88-K91 PolarHBondContact O-N 2.9Å
89P96.9Very high95.3Very high48 Ų4846.2 Ų46.231%0.31224%0.235SC..THydrogen-bonded Turntrans-68.2-9-176.628.1-35.6000113.7E111 V112P89-E111 HydrophobicContact CB-CG 4.37Å; P89-E111 HydrophobicContact CG-CG 4.39Å; P89-V112 PolarHBondContact O-N 3.43Å
90N98.3Very high94.8Very high35 Ų3548.7 Ų48.719%0.18725%0.245CC..THydrogen-bonded Turntrans-94.210.1172.268.7-43.8000113.1P88 F108 T110P88-N90 WeakPolarHBondContact CB-OD1 2.94Å; P88-N90 PolarHBondContact O-N 2.86Å; P88-N90 VanDerWaalsContact O-N 3.09Å; N90-F108 WeakPolarHBondContact CB-O 3.31Å; N90-F108 PolarHBondContact ND2-O 2.73Å; N90-F108 WeakPolarHBondContact O-CB 3.16Å; N90-F108 WeakPolarHBondContact O-CD2 3.34Å; N90-F108 PolarHBondContact O-N 2.97Å; N90-T110 VanDerWaalsContact CB-O 3.26Å; N90-T110 WeakPolarHBondContact CB-O 3.49Å
91K98.4Very high94.5Very high31 Ų3152.9 Ų52.914%0.13526%0.263CS..EExtended strand (participates in β ladder)trans-117.5139.3177.8-67.5-169.1175.8-155.20112P88 M93 E105 I106 E107P88-K91 HydrophobicContact CB-CD 4.24Å; P88-K91 HydrophobicContact CB-CG 4.1Å; P88-K91 HydrophobicContact CG-CD 3.96Å; P88-K91 HydrophobicContact CG-CG 4.37Å; P88-K91 PolarHBondContact O-N 2.9Å; K91-M93 HydrophobicContact CB-SD 4.17Å; K91-E105 HydrophobicContact CD-CG 4.37Å; K91-E105 VanDerWaalsContact CD-OE1 3.25Å; K91-E105 WeakPolarHBondContact CD-OE1 3.23Å; K91-E105 WeakPolarHBondContact CE-OE1 3.44Å; K91-E105 IonicContact NZ-OE1 3.64Å; K91-E105 PolarHBondContact NZ-OE1 2.76Å; K91-I106 WeakPolarHBondContact CA-O 3.47Å; K91-E107 HydrophobicContact CD-CB 4.46Å; K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.29Å; K91-E107 HydrophobicContact CG-CB 4.09Å; K91-E107 HydrophobicContact CG-CG 4.09Å; K91-E107 IonicContact NZ-OE2 2.76Å; K91-E107 PolarHBondContact NZ-OE2 3.15Å
92V98.7Very high94.5Very high0 Ų054.1 Ų54.10%027%0.27CS..EExtended strand (participates in β ladder)trans-103.5125.5168.5179.30000108.8A77 V79 I94 E105 I106 F108 V112 V115 V124A77-V92 HydrophobicContact CB-CG1 4.21Å; V79-V92 HydrophobicContact CG2-CG2 4.32Å; V92-I94 HydrophobicContact CG1-CD1 4.14Å; V92-E105 WeakPolarHBondContact O-CA 3.45Å; V92-I106 PolarHBondContact N-O 2.95Å; V92-I106 PolarHBondContact O-N 2.99Å; V92-F108 HydrophobicContact CB-CE2 4.4Å; V92-F108 HydrophobicContact CG2-CD2 4.47Å; V92-F108 HydrophobicContact CG2-CE2 3.82Å; V92-V112 HydrophobicContact CG2-CB 4.45Å; V92-V112 HydrophobicContact CG2-CG1 3.96Å; V92-V112 HydrophobicContact CG2-CG2 3.89Å; V92-V115 HydrophobicContact CB-CG2 4.5Å; V92-V115 HydrophobicContact CG1-CG1 4.35Å; V92-V115 HydrophobicContact CG1-CG2 3.97Å; V92-V115 HydrophobicContact CG2-CG2 3.68Å; V92-V124 HydrophobicContact CG2-CG1 3.97Å; V92-V124 HydrophobicContact CG2-CG2 4Å
93M98.1Very high94.6Very high9 Ų955 Ų554%0.04427%0.271CS..EExtended strand (participates in β ladder)trans-110.2121.6176.6-47.9-53.2-77.100109A77 L78 Y87 K91 T102 I104 E105A77-M93 CarbonylContact C-O 3.54Å; A77-M93 WeakPolarHBondContact CA-O 3.27Å; L78-M93 HydrophobicContact CB-CB 4.36Å; L78-M93 PolarHBondContact N-O 2.95Å; L78-M93 PolarHBondContact O-N 2.93Å; Y87-M93 HydrophobicContact CD1-CE 3.79Å; Y87-M93 HydrophobicContact CD1-CG 3.59Å; Y87-M93 HydrophobicContact CD1-SD 3.98Å; Y87-M93 HydrophobicContact CD2-CB 4.38Å; Y87-M93 HydrophobicContact CD2-CG 3.56Å; Y87-M93 HydrophobicContact CE1-CE 3.74Å; Y87-M93 HydrophobicContact CE1-CG 3.8Å; Y87-M93 HydrophobicContact CE1-SD 4.38Å; Y87-M93 HydrophobicContact CE2-CB 4.2Å; Y87-M93 HydrophobicContact CE2-CG 3.78Å; Y87-M93 HydrophobicContact CG-CG 3.45Å; Y87-M93 VanDerWaalsContact CG-CG 3.45Å; Y87-M93 HydrophobicContact CG-SD 4.23Å; K91-M93 HydrophobicContact CB-SD 4.17Å; M93-T102 HydrophobicContact CB-CG2 3.82Å; M93-T102 HydrophobicContact CE-CG2 3.66Å; M93-I104 WeakPolarHBondContact CA-O 3.14Å; M93-E105 HydrophobicContact CE-CB 4Å; M93-E105 HydrophobicContact CE-CG 3.86Å; M93-E105 WeakPolarHBondContact CE-OE2 3.5Å; M93-E105 HydrophobicContact SD-CB 4.17Å; M93-E105 HydrophobicContact SD-CG 3.71Å
94I98.2Very high94.9Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-89.5111.6169.8-51.4-59000108.3Y75 L76 A77 V92 T102 V103 I104 L117 I122 F135Y75-I94 HydrophobicContact CD1-CG2 3.88Å; Y75-I94 HydrophobicContact CG-CG2 4.44Å; L76-I94 CarbonylContact O-C 3.55Å; L76-I94 WeakPolarHBondContact O-CA 3.24Å; A77-I94 HydrophobicContact CB-CD1 3.72Å; V92-I94 HydrophobicContact CG1-CD1 4.14Å; I94-T102 WeakPolarHBondContact O-CA 3.45Å; I94-V103 HydrophobicContact CB-CG2 4.33Å; I94-V103 HydrophobicContact CG2-CG2 4.11Å; I94-V103 VanDerWaalsContact O-CG2 3.31Å; I94-V103 WeakPolarHBondContact O-CG2 3.49Å; I94-V103 PolarHBondContact O-N 3.48Å; I94-I104 HydrophobicContact CB-CB 3.8Å; I94-I104 HydrophobicContact CB-CD1 4.27Å; I94-I104 HydrophobicContact CB-CG1 4.34Å; I94-I104 HydrophobicContact CG1-CB 3.72Å; I94-I104 HydrophobicContact CG1-CD1 4.1Å; I94-I104 HydrophobicContact CG1-CG1 4.42Å; I94-I104 HydrophobicContact CG1-CG2 4.11Å; I94-I104 HydrophobicContact CG2-CD1 4.47Å; I94-I104 PolarHBondContact N-O 3.46Å; I94-L117 HydrophobicContact CD1-CD2 4.32Å; I94-I122 HydrophobicContact CD1-CD1 4.15Å; I94-I122 HydrophobicContact CG1-CD1 4.12Å; I94-F135 HydrophobicContact CG2-CE2 4.31Å; I94-F135 HydrophobicContact CG2-CZ 3.86Å
95W96.3Very high95.1Very high1 Ų146.3 Ų46.30%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-88129.4176.7179.2-94.4000110.6F33 Q47 F59 Y75 L76 L78 D97 K100 K101F33-W95 AromaticContact CZ-CD1 3.97Å; F33-W95 HydrophobicContact CZ-CG 4.44Å; F33-W95 AromaticContact CZ-NE1 3.78Å; Q47-W95 HydrophobicContact CG-CZ2 4.22Å; F59-W95 HydrophobicContact CD2-CE3 4.25Å; F59-W95 AromaticContact CD2-CH2 3.68Å; F59-W95 HydrophobicContact CD2-CH2 3.68Å; F59-W95 HydrophobicContact CD2-CZ2 4.35Å; F59-W95 AromaticContact CD2-CZ3 3.63Å; F59-W95 HydrophobicContact CD2-CZ3 3.63Å; F59-W95 HydrophobicContact CE2-CE3 4.15Å; F59-W95 HydrophobicContact CE2-CH2 4.36Å; F59-W95 AromaticContact CE2-CZ3 3.98Å; F59-W95 HydrophobicContact CE2-CZ3 3.98Å; Y75-W95 WeakPolarHBondContact CA-O 3.35Å; L76-W95 HydrophobicContact CB-CB 4.41Å; L76-W95 PolarHBondContact N-O 2.81Å; L76-W95 PolarHBondContact O-N 2.9Å; L78-W95 HydrophobicContact CD1-CB 3.8Å; L78-W95 HydrophobicContact CD1-CG 4.26Å; L78-W95 HydrophobicContact CG-CB 4.17Å; W95-D97 PolarHBondContact NE1-OD1 2.89Å; W95-K100 HydrophobicContact CH2-CB 4.44Å; W95-K100 WeakPolarHBondContact CH2-O 2.93Å; W95-K100 VanDerWaalsContact CZ2-CA 3.44Å; W95-K100 HydrophobicContact CZ2-CB 4.03Å; W95-K100 HydrophobicContact CZ2-CD 4.29Å; W95-K101 VanDerWaalsContact CE3-C 3.44Å; W95-K101 VanDerWaalsContact CZ3-CA 3.5Å
96D94.9Very high95.2Very high2 Ų244.5 Ų44.51%0.01122%0.222CC..EExtended strand (participates in β ladder)trans-97.6107.3168.9-173.2-28.1000108.7N74 Y75 L98 K99 K100 K101 V103N74-D96 PolarHBondContact ND2-OD1 3Å; N74-D96 CarbonylContact O-C 3.54Å; N74-D96 WeakPolarHBondContact O-CA 3.39Å; Y75-D96 HydrophobicContact CD1-CB 4.26Å; Y75-D96 HydrophobicContact CE1-CB 3.83Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.88Å; D96-L98 WeakPolarHBondContact OD1-CB 3.33Å; D96-L98 PolarHBondContact OD1-N 3.16Å; D96-K99 HydrophobicContact CB-CB 4.15Å; D96-K99 HydrophobicContact CB-CD 4.47Å; D96-K99 HydrophobicContact CB-CG 4.47Å; D96-K99 CarbonylContact O-C 3.56Å; D96-K99 PolarHBondContact O-N 3.41Å; D96-K99 PolarHBondContact OD1-N 3.26Å; D96-K99 VanDerWaalsContact OD2-CD 3.29Å; D96-K99 WeakPolarHBondContact OD2-CD 3.13Å; D96-K99 WeakPolarHBondContact OD2-CE 3.4Å; D96-K99 IonicContact OD2-NZ 2.73Å; D96-K100 WeakPolarHBondContact O-CA 3.33Å; D96-K100 PolarHBondContact O-N 3.16Å; D96-K101 PolarHBondContact N-O 2.97Å; D96-K101 PolarHBondContact O-N 2.9Å; D96-V103 HydrophobicContact CB-CG1 3.59Å; D96-V103 HydrophobicContact CB-CG2 4.11Å
97D90Very high95.4Very high35 Ų3547.3 Ų47.319%0.18724%0.236CC..THydrogen-bonded Turntrans-71.8-22.4-175.8-166.754.9000113.6N74 L76 W95 K100N74-D97 HydrophobicContact CB-CB 4.26Å; N74-D97 WeakPolarHBondContact O-CB 3.49Å; N74-D97 PolarHBondContact O-N 3.2Å; L76-D97 HydrophobicContact CD1-CB 4.05Å; W95-D97 PolarHBondContact NE1-OD1 2.89Å; D97-K100 VanDerWaalsContact CG-NZ 3.26Å; D97-K100 WeakPolarHBondContact O-CD 3.07Å; D97-K100 WeakPolarHBondContact O-CE 3.42Å; D97-K100 PolarHBondContact O-NZ 3.07Å; D97-K100 IonicContact OD1-NZ 3.34Å; D97-K100 PolarHBondContact OD1-NZ 2.79Å; D97-K100 IonicContact OD2-NZ 2.82Å; D97-K100 PolarHBondContact OD2-NZ 3.28Å
98L90.3Very high95.6Very high141 Ų14146.7 Ų46.774%0.73823%0.234SC*.THydrogen-bonded Turntrans-75.3-37172.4-71.6172.3000111.1N74 D96N74-L98 HydrophobicContact CB-CB 4.37Å; N74-L98 HydrophobicContact CB-CD1 3.91Å; N74-L98 HydrophobicContact CB-CG 3.64Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.88Å; D96-L98 WeakPolarHBondContact OD1-CB 3.33Å; D96-L98 PolarHBondContact OD1-N 3.16Å
99K90.5Very high95.5Very high128 Ų12849.5 Ų49.556%0.55726%0.255SS*.THydrogen-bonded Turntrans-89.4-7.2178.9-61.8179.6-171.4161.30113.3D96 K101D96-K99 HydrophobicContact CB-CB 4.15Å; D96-K99 HydrophobicContact CB-CD 4.47Å; D96-K99 HydrophobicContact CB-CG 4.47Å; D96-K99 CarbonylContact O-C 3.56Å; D96-K99 PolarHBondContact O-N 3.41Å; D96-K99 PolarHBondContact OD1-N 3.26Å; D96-K99 VanDerWaalsContact OD2-CD 3.29Å; D96-K99 WeakPolarHBondContact OD2-CD 3.13Å; D96-K99 WeakPolarHBondContact OD2-CE 3.4Å; D96-K99 IonicContact OD2-NZ 2.73Å; K99-K101 HydrophobicContact CB-CD 4.39Å; K99-K101 HydrophobicContact CB-CG 3.86Å; K99-K101 PolarHBondContact O-N 2.76Å
100K88.1Confident95.5Very high58 Ų5850.1 Ų50.125%0.25226%0.258SS..THydrogen-bonded Turntrans47.245.8-173.8-57.7-65.2178.2-172.10112.3E45 W95 D96 D97E45-K100 IonicContact OE1-NZ 2.74Å; E45-K100 PolarHBondContact OE1-NZ 3.22Å; E45-K100 IonicContact OE2-NZ 3.06Å; E45-K100 PolarHBondContact OE2-NZ 2.78Å; W95-K100 HydrophobicContact CH2-CB 4.44Å; W95-K100 WeakPolarHBondContact CH2-O 2.93Å; W95-K100 VanDerWaalsContact CZ2-CA 3.44Å; W95-K100 HydrophobicContact CZ2-CB 4.03Å; W95-K100 HydrophobicContact CZ2-CD 4.29Å; D96-K100 WeakPolarHBondContact O-CA 3.33Å; D96-K100 PolarHBondContact O-N 3.16Å; D97-K100 VanDerWaalsContact CG-NZ 3.26Å; D97-K100 WeakPolarHBondContact O-CD 3.07Å; D97-K100 WeakPolarHBondContact O-CE 3.42Å; D97-K100 PolarHBondContact O-NZ 3.07Å; D97-K100 IonicContact OD1-NZ 3.34Å; D97-K100 PolarHBondContact OD1-NZ 2.79Å; D97-K100 IonicContact OD2-NZ 2.82Å; D97-K100 PolarHBondContact OD2-NZ 3.28Å
101K90.7Very high95.5Very high90 Ų9053.2 Ų53.239%0.39127%0.271SS..EExtended strand (participates in β ladder)trans-151.2161.2179.672.9179.8-171.6174.20114.7E58 W95 D96 K99 V103E58-K101 VanDerWaalsContact CD-CB 3.46Å; E58-K101 WeakPolarHBondContact OE1-CB 3.29Å; E58-K101 WeakPolarHBondContact OE2-CA 3.32Å; E58-K101 WeakPolarHBondContact OE2-CB 3.43Å; W95-K101 VanDerWaalsContact CE3-C 3.44Å; W95-K101 VanDerWaalsContact CZ3-CA 3.5Å; D96-K101 PolarHBondContact N-O 2.97Å; D96-K101 PolarHBondContact O-N 2.9Å; K99-K101 HydrophobicContact CB-CD 4.39Å; K99-K101 HydrophobicContact CB-CG 3.86Å; K99-K101 PolarHBondContact O-N 2.76Å; K101-V103 HydrophobicContact CG-CG1 4.25Å
102T94Very high95.5Very high33 Ų3352.4 Ų52.420%0.20227%0.269CS..EExtended strand (participates in β ladder)trans-75.5131169.4-54.70000110.9E58 Y87 M93 I94 I104E58-T102 PolarHBondContact OE2-N 2.8Å; Y87-T102 PolarHBondContact OH-OG1 3.06Å; M93-T102 HydrophobicContact CB-CG2 3.82Å; M93-T102 HydrophobicContact CE-CG2 3.66Å; I94-T102 WeakPolarHBondContact O-CA 3.45Å; T102-I104 WeakPolarHBondContact CG2-O 3.37Å
103V96.4Very high95.5Very high38 Ų3854.1 Ų54.123%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-113.7-20.4-178.1-66.90000114.2Y75 I94 D96 K101Y75-V103 HydrophobicContact CD1-CG2 4.41Å; Y75-V103 HydrophobicContact CE1-CG2 3.95Å; I94-V103 HydrophobicContact CB-CG2 4.33Å; I94-V103 HydrophobicContact CG2-CG2 4.11Å; I94-V103 VanDerWaalsContact O-CG2 3.31Å; I94-V103 WeakPolarHBondContact O-CG2 3.49Å; I94-V103 PolarHBondContact O-N 3.48Å; D96-V103 HydrophobicContact CB-CG1 3.59Å; D96-V103 HydrophobicContact CB-CG2 4.11Å; K101-V103 HydrophobicContact CG-CG1 4.25Å
104I97.9Very high95.5Very high13 Ų1353.9 Ų53.97%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-139.4138.7176.6-58.9165.7000108M93 I94 T102 I106 F135 T136 P139M93-I104 WeakPolarHBondContact CA-O 3.14Å; I94-I104 HydrophobicContact CB-CB 3.8Å; I94-I104 HydrophobicContact CB-CD1 4.27Å; I94-I104 HydrophobicContact CB-CG1 4.34Å; I94-I104 HydrophobicContact CG1-CB 3.72Å; I94-I104 HydrophobicContact CG1-CD1 4.1Å; I94-I104 HydrophobicContact CG1-CG1 4.42Å; I94-I104 HydrophobicContact CG1-CG2 4.11Å; I94-I104 HydrophobicContact CG2-CD1 4.47Å; I94-I104 PolarHBondContact N-O 3.46Å; T102-I104 WeakPolarHBondContact CG2-O 3.37Å; I104-I106 HydrophobicContact CG2-CD1 4.39Å; I104-I106 HydrophobicContact CG2-CG1 3.97Å; I104-F135 HydrophobicContact CD1-CE2 4.35Å; I104-T136 VanDerWaalsContact CD1-O 3.29Å; I104-T136 WeakPolarHBondContact CD1-O 3.4Å; I104-P139 HydrophobicContact CD1-CG 4.38Å; I104-P139 HydrophobicContact CG2-CG 3.36Å
105E98Very high95.5Very high105 Ų10553.9 Ų53.949%0.49128%0.276SS..EExtended strand (participates in β ladder)trans-126.7131173.2178.4172.1159.200109K91 V92 M93K91-E105 HydrophobicContact CD-CG 4.37Å; K91-E105 VanDerWaalsContact CD-OE1 3.25Å; K91-E105 WeakPolarHBondContact CD-OE1 3.23Å; K91-E105 WeakPolarHBondContact CE-OE1 3.44Å; K91-E105 IonicContact NZ-OE1 3.64Å; K91-E105 PolarHBondContact NZ-OE1 2.76Å; V92-E105 WeakPolarHBondContact O-CA 3.45Å; M93-E105 HydrophobicContact CE-CB 4Å; M93-E105 HydrophobicContact CE-CG 3.86Å; M93-E105 WeakPolarHBondContact CE-OE2 3.5Å; M93-E105 HydrophobicContact SD-CB 4.17Å; M93-E105 HydrophobicContact SD-CG 3.71Å
106I98.4Very high95.6Very high20 Ų2055.8 Ų55.810%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-129.3120.9175.3-45.5177.2000108.5K91 V92 I104 F108 I122 F133 P139K91-I106 WeakPolarHBondContact CA-O 3.47Å; V92-I106 PolarHBondContact N-O 2.95Å; V92-I106 PolarHBondContact O-N 2.99Å; I104-I106 HydrophobicContact CG2-CD1 4.39Å; I104-I106 HydrophobicContact CG2-CG1 3.97Å; I106-F108 HydrophobicContact CB-CE2 3.89Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD2 4.49Å; I106-F108 HydrophobicContact CG2-CE1 4.27Å; I106-F108 HydrophobicContact CG2-CE2 3.56Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å; I106-F108 WeakPolarHBondContact O-CE2 3.24Å; I106-I122 HydrophobicContact CD1-CD1 4.27Å; I106-I122 HydrophobicContact CD1-CG2 4.43Å; I106-F133 HydrophobicContact CD1-CG 4.4Å; I106-F133 HydrophobicContact CG2-CE1 4.24Å; I106-F133 HydrophobicContact CG2-CZ 4.15Å; I106-P139 HydrophobicContact CD1-CB 3.93Å; I106-P139 HydrophobicContact CD1-CG 3.88Å; I106-P139 HydrophobicContact CG1-CG 4.2Å
107E98.3Very high95.7Very high121 Ų12155.9 Ų55.957%0.56529%0.285SS*.EExtended strand (participates in β ladder)trans-101.6140-179.5-178.4164.6-169.400111.9K91K91-E107 HydrophobicContact CD-CB 4.46Å; K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.29Å; K91-E107 HydrophobicContact CG-CB 4.09Å; K91-E107 HydrophobicContact CG-CG 4.09Å; K91-E107 IonicContact NZ-OE2 2.76Å; K91-E107 PolarHBondContact NZ-OE2 3.15Å
108F98.3Very high95.9Very high13 Ų1354.7 Ų54.76%0.05728%0.278CS..  trans-123158.9179.8-60.5-88.6000110.6N90 V92 I106 T110 V112 V124 L126 K131 F133N90-F108 WeakPolarHBondContact CB-O 3.31Å; N90-F108 PolarHBondContact ND2-O 2.73Å; N90-F108 WeakPolarHBondContact O-CB 3.16Å; N90-F108 WeakPolarHBondContact O-CD2 3.34Å; N90-F108 PolarHBondContact O-N 2.97Å; V92-F108 HydrophobicContact CB-CE2 4.4Å; V92-F108 HydrophobicContact CG2-CD2 4.47Å; V92-F108 HydrophobicContact CG2-CE2 3.82Å; I106-F108 HydrophobicContact CB-CE2 3.89Å; I106-F108 HydrophobicContact CB-CZ 4.16Å; I106-F108 HydrophobicContact CG2-CD2 4.49Å; I106-F108 HydrophobicContact CG2-CE1 4.27Å; I106-F108 HydrophobicContact CG2-CE2 3.56Å; I106-F108 HydrophobicContact CG2-CZ 3.42Å; I106-F108 VanDerWaalsContact CG2-CZ 3.42Å; I106-F108 WeakPolarHBondContact O-CE2 3.24Å; F108-T110 VanDerWaalsContact C-N 3.29Å; F108-V112 HydrophobicContact CD2-CG2 3.69Å; F108-V112 HydrophobicContact CE2-CG2 4.25Å; F108-V112 HydrophobicContact CG-CG2 4.31Å; F108-V124 HydrophobicContact CD2-CG1 4.27Å; F108-V124 HydrophobicContact CE1-CB 4.2Å; F108-V124 HydrophobicContact CE1-CG1 4.06Å; F108-V124 HydrophobicContact CE2-CB 4.29Å; F108-V124 HydrophobicContact CE2-CG1 3.72Å; F108-V124 HydrophobicContact CE2-CG2 4.1Å; F108-V124 HydrophobicContact CZ-CB 3.74Å; F108-V124 HydrophobicContact CZ-CG1 3.61Å; F108-V124 HydrophobicContact CZ-CG2 3.64Å; F108-L126 HydrophobicContact CB-CD2 4.22Å; F108-L126 HydrophobicContact CD1-CD1 4.04Å; F108-L126 HydrophobicContact CD1-CD2 4.18Å; F108-L126 HydrophobicContact CG-CD2 4.12Å; F108-K131 HydrophobicContact CD1-CD 4.04Å; F108-K131 HydrophobicContact CE1-CB 4.45Å; F108-K131 HydrophobicContact CE1-CD 3.76Å; F108-F133 AromaticContact CE1-CE2 3.79Å; F108-F133 HydrophobicContact CE1-CE2 3.79Å; F108-F133 AromaticContact CE1-CZ 3.7Å; F108-F133 HydrophobicContact CE1-CZ 3.7Å; F108-F133 AromaticContact CZ-CE2 3.71Å; F108-F133 HydrophobicContact CZ-CE2 3.71Å; F108-F133 AromaticContact CZ-CZ 3.84Å; F108-F133 HydrophobicContact CZ-CZ 3.84Å
109S95.4Very high96Very high118 Ų11856.1 Ų56.183%0.82527%0.273SS*.SBendtrans-79.6-1217755.60000113.6
110T96.8Very high96.1Very high61 Ų6152.8 Ų52.837%0.37426%0.262SS..SBendtrans-133.3165.6179.565.10000110N90 F108N90-T110 VanDerWaalsContact CB-O 3.26Å; N90-T110 WeakPolarHBondContact CB-O 3.49Å; F108-T110 VanDerWaalsContact C-N 3.29Å
111E97.1Very high96.5Very high100 Ų10052.3 Ų52.347%0.46726%0.258SS..  trans-59.3142.1177.4-66.4-175.4165.900112.3P89 K113P89-E111 HydrophobicContact CB-CG 4.37Å; P89-E111 HydrophobicContact CG-CG 4.39Å; E111-K113 IonicContact OE2-NZ 3.4Å; E111-K113 PolarHBondContact OE2-NZ 2.8Å
112V98.6Very high96.9Very high14 Ų1448 Ų489%0.08524%0.24CC..  trans-85.5124.5172.71780000108.7V79 P89 V92 F108 V115 V124 L126V79-V112 HydrophobicContact CG1-CB 4.08Å; V79-V112 HydrophobicContact CG2-CB 4.14Å; V79-V112 HydrophobicContact CG2-CG1 3.76Å; P89-V112 PolarHBondContact O-N 3.43Å; V92-V112 HydrophobicContact CG2-CB 4.45Å; V92-V112 HydrophobicContact CG2-CG1 3.96Å; V92-V112 HydrophobicContact CG2-CG2 3.89Å; F108-V112 HydrophobicContact CD2-CG2 3.69Å; F108-V112 HydrophobicContact CE2-CG2 4.25Å; F108-V112 HydrophobicContact CG-CG2 4.31Å; V112-V115 HydrophobicContact CG1-CG2 3.89Å; V112-V124 HydrophobicContact CB-CG1 4.42Å; V112-V124 HydrophobicContact CG1-CG1 3.7Å; V112-V124 HydrophobicContact CG2-CG1 3.93Å; V112-L126 HydrophobicContact CG2-CD2 4.05Å
113K98.3Very high97.1Very high36 Ų3646.4 Ų46.416%0.15723%0.23CC..  trans-93.1-32.5-178.5-56.7-50.4-173.7-177.30113E111 V125 D127E111-K113 IonicContact OE2-NZ 3.4Å; E111-K113 PolarHBondContact OE2-NZ 2.8Å; K113-V125 PolarHBondContact N-O 3.15Å; K113-D127 WeakPolarHBondContact CE-OD1 3.43Å; K113-D127 WeakPolarHBondContact CE-OD2 3.05Å; K113-D127 IonicContact NZ-OD1 3.82Å; K113-D127 IonicContact NZ-OD2 3.67Å; K113-D127 PolarHBondContact NZ-OD2 2.72Å
114A98.4Very high97.2Very high4 Ų444.6 Ų44.63%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-159.9160.817300000111.3V125 G153A114-V125 HydrophobicContact CB-CB 4.09Å; A114-V125 HydrophobicContact CB-CG2 4.08Å; A114-V125 PolarHBondContact N-O 3.43Å; A114-V125 WeakPolarHBondContact O-CB 3.29Å; A114-V125 PolarHBondContact O-N 3.14Å; A114-G153 WeakPolarHBondContact CB-O 3.47Å
115V98.7Very high97.3Very high0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-124.9143.9169.4-174.70000108.6H66 E68 A77 V79 V92 V112 L117 I122 V123H66-V115 PolarHBondContact NE2-N 3.12Å; H66-V115 VanDerWaalsContact NE2-N 3.14Å; E68-V115 HydrophobicContact CB-CB 4.36Å; E68-V115 WeakPolarHBondContact CB-O 3.19Å; E68-V115 VanDerWaalsContact CD-O 3.24Å; E68-V115 VanDerWaalsContact CG-O 3.24Å; E68-V115 WeakPolarHBondContact CG-O 3.38Å; A77-V115 HydrophobicContact CB-CB 4.04Å; A77-V115 HydrophobicContact CB-CG1 3.57Å; A77-V115 HydrophobicContact CB-CG2 4.48Å; V79-V115 HydrophobicContact CG2-CG2 3.92Å; V92-V115 HydrophobicContact CB-CG2 4.5Å; V92-V115 HydrophobicContact CG1-CG1 4.35Å; V92-V115 HydrophobicContact CG1-CG2 3.97Å; V92-V115 HydrophobicContact CG2-CG2 3.68Å; V112-V115 HydrophobicContact CG1-CG2 3.89Å; V115-L117 HydrophobicContact CG1-CD2 3.98Å; V115-L117 HydrophobicContact CG1-CG 4.44Å; V115-I122 HydrophobicContact CG1-CG2 4.23Å; V115-V123 CarbonylContact C-O 3.52Å; V115-V123 WeakPolarHBondContact CA-O 3.27Å
116K98.4Very high97.3Very high41 Ų4139.2 Ų39.218%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-127133.6170.4-61.2-69.2157.3-154.40109.6E68 V123 C155 L157E68-K116 WeakPolarHBondContact OE1-CD 3.24Å; E68-K116 IonicContact OE1-NZ 2.72Å; E68-K116 IonicContact OE2-NZ 2.87Å; E68-K116 PolarHBondContact OE2-NZ 2.98Å; K116-V123 HydrophobicContact CB-CB 4.13Å; K116-V123 PolarHBondContact N-O 3.16Å; K116-V123 PolarHBondContact O-N 3.03Å; K116-C155 VanDerWaalsContact CE-O 3.32Å; K116-C155 WeakPolarHBondContact CE-O 3.38Å; K116-C155 HydrophobicContact CG-CB 4.36Å; K116-L157 HydrophobicContact CB-CB 3.84Å; K116-L157 HydrophobicContact CB-CD2 3.98Å; K116-L157 HydrophobicContact CG-CB 4.4Å
117L97Very high97.2Very high4 Ų439.9 Ų39.92%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-114.5138.6-176.9-62.5-176.9000111.7Q20 E68 L70 A77 I94 V115 I122 F135Q20-L117 PolarHBondContact NE2-O 3.42Å; E68-L117 HydrophobicContact CG-CB 4.3Å; E68-L117 HydrophobicContact CG-CD1 4.42Å; E68-L117 HydrophobicContact CG-CG 3.95Å; L70-L117 HydrophobicContact CB-CB 4.14Å; L70-L117 HydrophobicContact CB-CD1 4.11Å; L70-L117 HydrophobicContact CD1-CB 4.05Å; A77-L117 HydrophobicContact CB-CD1 3.8Å; A77-L117 HydrophobicContact CB-CD2 4.12Å; A77-L117 HydrophobicContact CB-CG 4.11Å; I94-L117 HydrophobicContact CD1-CD2 4.32Å; V115-L117 HydrophobicContact CG1-CD2 3.98Å; V115-L117 HydrophobicContact CG1-CG 4.44Å; L117-I122 HydrophobicContact CD2-CB 4.24Å; L117-I122 HydrophobicContact CD2-CG1 4Å; L117-I122 HydrophobicContact CD2-CG2 3.98Å; L117-F135 HydrophobicContact CD1-CE1 4.2Å; L117-F135 HydrophobicContact CD2-CD1 4.3Å; L117-F135 HydrophobicContact CD2-CE1 3.87Å; L117-F135 HydrophobicContact CG-CE1 4.43Å
118R93.9Very high97.2Very high10 Ų1037 Ų374%0.03819%0.191CC..  trans-125.5168.6161.3-168-179.6-69149.9-1.1107.9D120 R121 F135 L157 C158 S164 L165R118-D120 WeakPolarHBondContact CD-OD1 3.15Å; R118-D120 WeakPolarHBondContact CG-OD1 3.45Å; R118-D120 PolarHBondContact O-N 3.31Å; R118-D120 VanDerWaalsContact O-N 3.09Å; R118-R121 HydrophobicContact CB-CB 4.32Å; R118-R121 PolarHBondContact N-O 2.79Å; R118-R121 PolarHBondContact O-N 3.4Å; R118-F135 WeakPolarHBondContact O-CD1 3.14Å; R118-L157 HydrophobicContact CB-CD2 3.86Å; R118-C158 VanDerWaalsContact CZ-O 3.23Å; R118-C158 PolarHBondContact NE-O 2.99Å; R118-C158 PolarHBondContact NH2-O 2.98Å; R118-S164 VanDerWaalsContact CZ-CA 3.45Å; R118-S164 PolarHBondContact NH1-O 3.26Å; R118-S164 VanDerWaalsContact NH1-O 3.09Å; R118-S164 PolarHBondContact NH1-OG 3.49Å; R118-S164 PolarHBondContact NH2-O 3.09Å; R118-S164 VanDerWaalsContact NH2-O 3.12Å; R118-L165 PolarHBondContact NH2-O 2.81Å; R118-L165 VanDerWaalsContact NH2-O 3.13Å
119R91.9Very high97.2Very high171 Ų17139.3 Ų39.365%0.64520%0.202SC*.SBendtrans-57.4-23.7178.3-68-175.3179.7141.51114.1
120D93.3Very high97.3Very high59 Ų5933.7 Ų33.732%0.31616%0.163SC..SBendtrans-127.2-0.7-173.168.7-33.3000113.5R118 F135R118-D120 WeakPolarHBondContact CD-OD1 3.15Å; R118-D120 WeakPolarHBondContact CG-OD1 3.45Å; R118-D120 PolarHBondContact O-N 3.31Å; R118-D120 VanDerWaalsContact O-N 3.09Å; D120-F135 PolarHBondContact O-N 2.82Å; D120-F135 VanDerWaalsContact O-N 3.16Å
121R96.4Very high97.4Very high47 Ų4732.9 Ų32.918%0.17715%0.154CC..EExtended strand (participates in β ladder)trans-139139.5-177.7-61.9-64.8-176.4-74.6-9.3112.4R118 V132 F133 L181R118-R121 HydrophobicContact CB-CB 4.32Å; R118-R121 PolarHBondContact N-O 2.79Å; R118-R121 PolarHBondContact O-N 3.4Å; R121-V132 HydrophobicContact CB-CG1 4.48Å; R121-V132 HydrophobicContact CG-CG1 4.42Å; R121-F133 VanDerWaalsContact CA-O 3.31Å; R121-F133 WeakPolarHBondContact CA-O 3.28Å; R121-L181 HydrophobicContact CG-CD1 4.44Å
122I98.4Very high97.5Very high0 Ų028.1 Ų28.10%013%0.132CC..EExtended strand (participates in β ladder)trans-109.7119.4164.1-56.8168.4000106.6I94 I106 V115 L117 V124 F133 F135 P139I94-I122 HydrophobicContact CD1-CD1 4.15Å; I94-I122 HydrophobicContact CG1-CD1 4.12Å; I106-I122 HydrophobicContact CD1-CD1 4.27Å; I106-I122 HydrophobicContact CD1-CG2 4.43Å; V115-I122 HydrophobicContact CG1-CG2 4.23Å; L117-I122 HydrophobicContact CD2-CB 4.24Å; L117-I122 HydrophobicContact CD2-CG1 4Å; L117-I122 HydrophobicContact CD2-CG2 3.98Å; I122-V124 HydrophobicContact CG2-CG2 4.05Å; I122-F133 HydrophobicContact CB-CB 4.31Å; I122-F133 PolarHBondContact N-O 2.79Å; I122-F133 PolarHBondContact O-N 2.84Å; I122-F135 HydrophobicContact CD1-CD1 4.19Å; I122-F135 HydrophobicContact CD1-CG 4.19Å; I122-F135 HydrophobicContact CG1-CB 4.1Å; I122-F135 HydrophobicContact CG1-CD1 3.5Å; I122-F135 VanDerWaalsContact CG1-CD1 3.5Å; I122-F135 HydrophobicContact CG1-CE1 4.04Å; I122-F135 HydrophobicContact CG1-CG 3.85Å; I122-P139 HydrophobicContact CD1-CG 4.31Å
123V98.8Very high97.5Very high0 Ų028.2 Ų28.20%013%0.131CC..EExtended strand (participates in β ladder)trans-110120.9178179.90000108.4V115 K116 I130 V132 L157 L166 L181V115-V123 CarbonylContact C-O 3.52Å; V115-V123 WeakPolarHBondContact CA-O 3.27Å; K116-V123 HydrophobicContact CB-CB 4.13Å; K116-V123 PolarHBondContact N-O 3.16Å; K116-V123 PolarHBondContact O-N 3.03Å; V123-I130 HydrophobicContact CG1-CG2 3.44Å; V123-I130 VanDerWaalsContact CG1-CG2 3.44Å; V123-V132 HydrophobicContact CG1-CG2 4.43Å; V123-V132 HydrophobicContact CG2-CG1 4.29Å; V123-V132 HydrophobicContact CG2-CG2 4.19Å; V123-L157 HydrophobicContact CG2-CD1 4.1Å; V123-L157 HydrophobicContact CG2-CD2 3.94Å; V123-L166 HydrophobicContact CG1-CD1 4Å; V123-L166 HydrophobicContact CG1-CD2 4.42Å; V123-L181 HydrophobicContact CG2-CD1 4.41Å
124V98.9Very high97.5Very high0 Ų027.8 Ų27.80%013%0.132CC..EExtended strand (participates in β ladder)trans-112.5126.7-178.7-174.90000109.5V92 F108 V112 I122 L126 I130 K131 F133V92-V124 HydrophobicContact CG2-CG1 3.97Å; V92-V124 HydrophobicContact CG2-CG2 4Å; F108-V124 HydrophobicContact CD2-CG1 4.27Å; F108-V124 HydrophobicContact CE1-CB 4.2Å; F108-V124 HydrophobicContact CE1-CG1 4.06Å; F108-V124 HydrophobicContact CE2-CB 4.29Å; F108-V124 HydrophobicContact CE2-CG1 3.72Å; F108-V124 HydrophobicContact CE2-CG2 4.1Å; F108-V124 HydrophobicContact CZ-CB 3.74Å; F108-V124 HydrophobicContact CZ-CG1 3.61Å; F108-V124 HydrophobicContact CZ-CG2 3.64Å; V112-V124 HydrophobicContact CB-CG1 4.42Å; V112-V124 HydrophobicContact CG1-CG1 3.7Å; V112-V124 HydrophobicContact CG2-CG1 3.93Å; I122-V124 HydrophobicContact CG2-CG2 4.05Å; V124-L126 HydrophobicContact CG1-CD2 4.12Å; V124-I130 CarbonylContact O-C 3.55Å; V124-I130 WeakPolarHBondContact O-CA 3.42Å; V124-K131 PolarHBondContact N-O 3.04Å; V124-K131 PolarHBondContact O-N 3.04Å; V124-F133 HydrophobicContact CG2-CD2 4.34Å; V124-F133 HydrophobicContact CG2-CE2 4.21Å
125V98.8Very high97.4Very high0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-102.7121.9-178.7-171.60000109.1K113 A114 I130 N150 C155K113-V125 PolarHBondContact N-O 3.15Å; A114-V125 HydrophobicContact CB-CB 4.09Å; A114-V125 HydrophobicContact CB-CG2 4.08Å; A114-V125 PolarHBondContact N-O 3.43Å; A114-V125 WeakPolarHBondContact O-CB 3.29Å; A114-V125 PolarHBondContact O-N 3.14Å; V125-I130 HydrophobicContact CB-CG1 4.34Å; V125-I130 HydrophobicContact CG1-CD1 4.42Å; V125-I130 HydrophobicContact CG1-CG1 4.01Å; V125-I130 HydrophobicContact CG2-CD1 4.37Å; V125-I130 HydrophobicContact CG2-CG1 4.17Å; V125-N150 WeakPolarHBondContact CG1-ND2 3.16Å; V125-C155 HydrophobicContact CG2-CB 3.44Å; V125-C155 VanDerWaalsContact CG2-CB 3.44Å
126L98.6Very high97.3Very high4 Ų432.2 Ų32.22%0.02116%0.156CC..  trans-108.1-177.7173.8-52.4-179.8000109.5F108 V112 V124 S128 M129 K131F108-L126 HydrophobicContact CB-CD2 4.22Å; F108-L126 HydrophobicContact CD1-CD1 4.04Å; F108-L126 HydrophobicContact CD1-CD2 4.18Å; F108-L126 HydrophobicContact CG-CD2 4.12Å; V112-L126 HydrophobicContact CG2-CD2 4.05Å; V124-L126 HydrophobicContact CG1-CD2 4.12Å; L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 3.42Å; L126-M129 WeakPolarHBondContact CA-O 3.48Å; L126-M129 HydrophobicContact CB-CG 4.09Å; L126-M129 WeakPolarHBondContact CB-O 3.44Å; L126-M129 HydrophobicContact CD1-CG 3.84Å; L126-M129 HydrophobicContact CD1-SD 4.13Å; L126-M129 HydrophobicContact CG-CG 4.34Å; L126-M129 PolarHBondContact N-O 2.87Å; L126-K131 HydrophobicContact CD1-CD 4.29Å
127D97Very high97Very high34 Ų3437.3 Ų37.318%0.18218%0.18CC..SBendtrans-62-31.8-177.2-87.5-50000114.9K113 Y149 N150K113-D127 WeakPolarHBondContact CE-OD1 3.43Å; K113-D127 WeakPolarHBondContact CE-OD2 3.05Å; K113-D127 IonicContact NZ-OD1 3.82Å; K113-D127 IonicContact NZ-OD2 3.67Å; K113-D127 PolarHBondContact NZ-OD2 2.72Å; D127-Y149 HydrophobicContact CB-CD2 4.17Å; D127-Y149 HydrophobicContact CB-CE2 3.95Å; D127-Y149 CarbonylContact O-C 3.56Å; D127-Y149 WeakPolarHBondContact O-CA 3.23Å; D127-Y149 VanDerWaalsContact OD1-CE2 3.29Å; D127-Y149 WeakPolarHBondContact OD1-CE2 3Å; D127-N150 PolarHBondContact O-N 3.08Å
128S97.4Very high96.9Very high62 Ų6242.1 Ų42.143%0.43421%0.206SC..SBendtrans-138.78.6-175.6600000113.7L126 T147L126-S128 VanDerWaalsContact C-N 3.32Å; L126-S128 PolarHBondContact O-N 3.42Å; S128-T147 WeakPolarHBondContact CA-OG1 3.37Å; S128-T147 PolarHBondContact O-N 2.67Å; S128-T147 PolarHBondContact O-OG1 3.05Å
129M98.2Very high97.1Very high60 Ų6043.3 Ų43.330%0.29622%0.215SC..EExtended strand (participates in β ladder)trans-155.6158.3178.767-176.173.200111.8L126 V144 F145 T147L126-M129 WeakPolarHBondContact CA-O 3.48Å; L126-M129 HydrophobicContact CB-CG 4.09Å; L126-M129 WeakPolarHBondContact CB-O 3.44Å; L126-M129 HydrophobicContact CD1-CG 3.84Å; L126-M129 HydrophobicContact CD1-SD 4.13Å; L126-M129 HydrophobicContact CG-CG 4.34Å; L126-M129 PolarHBondContact N-O 2.87Å; M129-V144 HydrophobicContact CB-CG1 4.25Å; M129-V144 HydrophobicContact SD-CG1 4.16Å; M129-F145 CarbonylContact C-O 3.6Å; M129-F145 WeakPolarHBondContact CA-O 3.42Å; M129-F145 WeakPolarHBondContact CB-O 3.45Å; M129-T147 PolarHBondContact N-OG1 3.07Å
130I98.8Very high97.4Very high0 Ų040.8 Ų40.80%021%0.21CC..EExtended strand (participates in β ladder)trans-117.8132.3171.6-68.5173.4000108.1V123 V124 V125 V144 F145 T147 C155 L166 F168V123-I130 HydrophobicContact CG1-CG2 3.44Å; V123-I130 VanDerWaalsContact CG1-CG2 3.44Å; V124-I130 CarbonylContact O-C 3.55Å; V124-I130 WeakPolarHBondContact O-CA 3.42Å; V125-I130 HydrophobicContact CB-CG1 4.34Å; V125-I130 HydrophobicContact CG1-CD1 4.42Å; V125-I130 HydrophobicContact CG1-CG1 4.01Å; V125-I130 HydrophobicContact CG2-CD1 4.37Å; V125-I130 HydrophobicContact CG2-CG1 4.17Å; I130-V144 CarbonylContact O-C 3.53Å; I130-V144 WeakPolarHBondContact O-CA 3.25Å; I130-F145 PolarHBondContact N-O 2.97Å; I130-F145 PolarHBondContact O-N 2.95Å; I130-T147 HydrophobicContact CD1-CG2 3.95Å; I130-T147 HydrophobicContact CG1-CG2 3.97Å; I130-C155 HydrophobicContact CD1-CB 4.29Å; I130-L166 HydrophobicContact CG2-CD2 4.34Å; I130-F168 HydrophobicContact CD1-CB 3.3Å; I130-F168 HydrophobicContact CD1-CD1 3.85Å; I130-F168 HydrophobicContact CD1-CD2 4.01Å; I130-F168 HydrophobicContact CD1-CG 3.47Å; I130-F168 VanDerWaalsContact CD1-CG 3.47Å
131K98.8Very high97.7Very high45 Ų4542.6 Ų42.620%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-113.4132176.7-65.7-175.8166.4-158.40110F108 V124 L126 F133 H143 V144F108-K131 HydrophobicContact CD1-CD 4.04Å; F108-K131 HydrophobicContact CE1-CB 4.45Å; F108-K131 HydrophobicContact CE1-CD 3.76Å; V124-K131 PolarHBondContact N-O 3.04Å; V124-K131 PolarHBondContact O-N 3.04Å; L126-K131 HydrophobicContact CD1-CD 4.29Å; K131-F133 HydrophobicContact CB-CD2 4.37Å; K131-F133 HydrophobicContact CB-CE2 3.5Å; K131-F133 HydrophobicContact CB-CZ 4.03Å; K131-F133 HydrophobicContact CD-CZ 4.32Å; K131-H143 WeakPolarHBondContact CA-O 3.4Å; K131-V144 HydrophobicContact CG-CG1 4.37Å; K131-V144 HydrophobicContact CG-CG2 4.23Å
132V98.7Very high97.8Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-110.8129.8179.9-177.20000109.1R121 V123 L142 H143 F145 L166 L181R121-V132 HydrophobicContact CB-CG1 4.48Å; R121-V132 HydrophobicContact CG-CG1 4.42Å; V123-V132 HydrophobicContact CG1-CG2 4.43Å; V123-V132 HydrophobicContact CG2-CG1 4.29Å; V123-V132 HydrophobicContact CG2-CG2 4.19Å; V132-L142 PolarHBondContact O-N 2.89Å; V132-H143 HydrophobicContact CB-CB 4.21Å; V132-H143 HydrophobicContact CG2-CB 4.4Å; V132-H143 PolarHBondContact N-O 3.11Å; V132-H143 PolarHBondContact O-N 3.11Å; V132-F145 HydrophobicContact CG2-CD2 4.24Å; V132-F145 HydrophobicContact CG2-CE2 3.85Å; V132-L166 HydrophobicContact CG2-CD2 4.08Å; V132-L181 HydrophobicContact CG1-CD1 4.24Å; V132-L181 HydrophobicContact CG1-CD2 4.49Å; V132-L181 HydrophobicContact CG2-CD2 4.2Å
133F98.7Very high97.7Very high15 Ų1546 Ų467%0.06624%0.236CC..EExtended strand (participates in β ladder)trans-123.5157.5179.8-59-101.4000111.3I106 F108 R121 I122 V124 K131 P139 H140 Q141I106-F133 HydrophobicContact CD1-CG 4.4Å; I106-F133 HydrophobicContact CG2-CE1 4.24Å; I106-F133 HydrophobicContact CG2-CZ 4.15Å; F108-F133 AromaticContact CE1-CE2 3.79Å; F108-F133 HydrophobicContact CE1-CE2 3.79Å; F108-F133 AromaticContact CE1-CZ 3.7Å; F108-F133 HydrophobicContact CE1-CZ 3.7Å; F108-F133 AromaticContact CZ-CE2 3.71Å; F108-F133 HydrophobicContact CZ-CE2 3.71Å; F108-F133 AromaticContact CZ-CZ 3.84Å; F108-F133 HydrophobicContact CZ-CZ 3.84Å; R121-F133 VanDerWaalsContact CA-O 3.31Å; R121-F133 WeakPolarHBondContact CA-O 3.28Å; I122-F133 HydrophobicContact CB-CB 4.31Å; I122-F133 PolarHBondContact N-O 2.79Å; I122-F133 PolarHBondContact O-N 2.84Å; V124-F133 HydrophobicContact CG2-CD2 4.34Å; V124-F133 HydrophobicContact CG2-CE2 4.21Å; K131-F133 HydrophobicContact CB-CD2 4.37Å; K131-F133 HydrophobicContact CB-CE2 3.5Å; K131-F133 HydrophobicContact CB-CZ 4.03Å; K131-F133 HydrophobicContact CD-CZ 4.32Å; F133-P139 HydrophobicContact CB-CB 4.03Å; F133-P139 HydrophobicContact CD1-CB 4.28Å; F133-H140 CarbonylContact C-O 3.53Å; F133-H140 WeakPolarHBondContact CA-O 3.49Å; F133-Q141 HydrophobicContact CD1-CB 3.83Å; F133-Q141 HydrophobicContact CD1-CG 4.32Å; F133-Q141 HydrophobicContact CE1-CB 3.58Å; F133-Q141 HydrophobicContact CE1-CG 3.9Å; F133-Q141 HydrophobicContact CZ-CB 4.27Å; F133-Q141 HydrophobicContact CZ-CG 4.08Å
134T97.9Very high97.7Very high27 Ų2749.1 Ų49.117%0.16626%0.255CS..EExtended strand (participates in β ladder)trans-64.9141.3165.257.90000110.8T136 P139 H140 L142T134-T136 VanDerWaalsContact C-N 3.32Å; T134-T136 PolarHBondContact O-N 2.85Å; T134-T136 VanDerWaalsContact O-N 3.16Å; T134-T136 PolarHBondContact OG1-OG1 2.78Å; T134-P139 WeakPolarHBondContact O-CB 3.26Å; T134-H140 HydrophobicContact CG2-CB 4.45Å; T134-H140 PolarHBondContact N-O 2.88Å; T134-H140 PolarHBondContact OG1-N 2.82Å; T134-L142 HydrophobicContact CG2-CD1 3.83Å; T134-L142 HydrophobicContact CG2-CD2 3.84Å; T134-L142 HydrophobicContact CG2-CG 3.96Å
135F96.5Very high97.7Very high32 Ų3250.6 Ų50.614%0.1426%0.262CS..SBendtrans-86.376.7168.7-155.5129.1000109.6L70 Y75 I94 I104 L117 R118 D120 I122L70-F135 HydrophobicContact CD2-CE1 4.12Å; Y75-F135 HydrophobicContact CD2-CE2 4.29Å; Y75-F135 HydrophobicContact CD2-CZ 4.2Å; Y75-F135 HydrophobicContact CG-CE2 4.33Å; Y75-F135 AromaticContact CG-CZ 3.98Å; Y75-F135 HydrophobicContact CG-CZ 3.98Å; I94-F135 HydrophobicContact CG2-CE2 4.31Å; I94-F135 HydrophobicContact CG2-CZ 3.86Å; I104-F135 HydrophobicContact CD1-CE2 4.35Å; L117-F135 HydrophobicContact CD1-CE1 4.2Å; L117-F135 HydrophobicContact CD2-CD1 4.3Å; L117-F135 HydrophobicContact CD2-CE1 3.87Å; L117-F135 HydrophobicContact CG-CE1 4.43Å; R118-F135 WeakPolarHBondContact O-CD1 3.14Å; D120-F135 PolarHBondContact O-N 2.82Å; D120-F135 VanDerWaalsContact O-N 3.16Å; I122-F135 HydrophobicContact CD1-CD1 4.19Å; I122-F135 HydrophobicContact CD1-CG 4.19Å; I122-F135 HydrophobicContact CG1-CB 4.1Å; I122-F135 HydrophobicContact CG1-CD1 3.5Å; I122-F135 VanDerWaalsContact CG1-CD1 3.5Å; I122-F135 HydrophobicContact CG1-CE1 4.04Å; I122-F135 HydrophobicContact CG1-CG 3.85Å
136T96.6Very high97.6Very high66 Ų6657.4 Ų57.441%0.40529%0.294SS..SBendtrans-132165.3179.847.20000110I104 T134 N138 P139I104-T136 VanDerWaalsContact CD1-O 3.29Å; I104-T136 WeakPolarHBondContact CD1-O 3.4Å; T134-T136 VanDerWaalsContact C-N 3.32Å; T134-T136 PolarHBondContact O-N 2.85Å; T134-T136 VanDerWaalsContact O-N 3.16Å; T134-T136 PolarHBondContact OG1-OG1 2.78Å; T136-N138 PolarHBondContact O-N 3.08Å; T136-N138 VanDerWaalsContact O-N 3.15Å; T136-N138 PolarHBondContact OG1-O 3.33Å; T136-P139 WeakPolarHBondContact O-CD 3.16Å
137H92.1Very high97.6Very high148 Ų14857.7 Ų57.769%0.68530%0.296SS*.SBendtrans-51.7-39.5177.3-179.2-77.9000112.7P139H137-P139 WeakPolarHBondContact O-CD 3.45Å
138N96.1Very high97.7Very high104 Ų10457.7 Ų57.756%0.55630%0.298SS*.SBendtrans-111.997.7169.9-58.7-28.7000107.6T136 H140T136-N138 PolarHBondContact O-N 3.08Å; T136-N138 VanDerWaalsContact O-N 3.15Å; T136-N138 PolarHBondContact OG1-O 3.33Å; N138-H140 PolarHBondContact O-CE1 2.96Å; N138-H140 PolarHBondContact O-N 2.91Å; N138-H140 PolarHBondContact O-ND1 2.91Å
139P98.1Very high97.7Very high35 Ų3562.4 Ų62.423%0.22731%0.307CS..  trans-64.6129.5178.9-21.732.2000111.6I104 I106 I122 F133 T134 T136 H137I104-P139 HydrophobicContact CD1-CG 4.38Å; I104-P139 HydrophobicContact CG2-CG 3.36Å; I106-P139 HydrophobicContact CD1-CB 3.93Å; I106-P139 HydrophobicContact CD1-CG 3.88Å; I106-P139 HydrophobicContact CG1-CG 4.2Å; I122-P139 HydrophobicContact CD1-CG 4.31Å; F133-P139 HydrophobicContact CB-CB 4.03Å; F133-P139 HydrophobicContact CD1-CB 4.28Å; T134-P139 WeakPolarHBondContact O-CB 3.26Å; T136-P139 WeakPolarHBondContact O-CD 3.16Å; H137-P139 WeakPolarHBondContact O-CD 3.45Å
140H98.1Very high97.6Very high119 Ų11959.8 Ų59.855%0.55129%0.294SS*.  trans-104.5132.2173-64.879.9000109.2F133 T134 N138 L142F133-H140 CarbonylContact C-O 3.53Å; F133-H140 WeakPolarHBondContact CA-O 3.49Å; T134-H140 HydrophobicContact CG2-CB 4.45Å; T134-H140 PolarHBondContact N-O 2.88Å; T134-H140 PolarHBondContact OG1-N 2.82Å; N138-H140 PolarHBondContact O-CE1 2.96Å; N138-H140 PolarHBondContact O-N 2.91Å; N138-H140 PolarHBondContact O-ND1 2.91Å; H140-L142 PolarHBondContact O-N 2.68Å
141Q98.4Very high97.5Very high96 Ų9662.8 Ų62.845%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-69123.1174.6-166-173.5-91.300109.1F133 V144F133-Q141 HydrophobicContact CD1-CB 3.83Å; F133-Q141 HydrophobicContact CD1-CG 4.32Å; F133-Q141 HydrophobicContact CE1-CB 3.58Å; F133-Q141 HydrophobicContact CE1-CG 3.9Å; F133-Q141 HydrophobicContact CZ-CB 4.27Å; F133-Q141 HydrophobicContact CZ-CG 4.08Å; Q141-V144 VanDerWaalsContact NE2-CG2 3.34Å
142L98Very high97.3Very high67 Ų6764.8 Ų64.835%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-98.3-48.5-179.5-62.5176.3000111.4V132 T134 H140V132-L142 PolarHBondContact O-N 2.89Å; T134-L142 HydrophobicContact CG2-CD1 3.83Å; T134-L142 HydrophobicContact CG2-CD2 3.84Å; T134-L142 HydrophobicContact CG2-CG 3.96Å; H140-L142 PolarHBondContact O-N 2.68Å
143H98Very high97.3Very high51 Ų5165 Ų6524%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-141.3153.6-172.7-52.2-67000111.8K131 V132 F145 T184K131-H143 WeakPolarHBondContact CA-O 3.4Å; V132-H143 HydrophobicContact CB-CB 4.21Å; V132-H143 HydrophobicContact CG2-CB 4.4Å; V132-H143 PolarHBondContact N-O 3.11Å; V132-H143 PolarHBondContact O-N 3.11Å; H143-F145 HydrophobicContact CB-CE2 3.76Å; H143-F145 HydrophobicContact CB-CZ 3.77Å; H143-T184 PolarHBondContact CE1-OG1 2.98Å
144V98.2Very high97.3Very high67 Ų6765.4 Ų65.441%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-129.2128.4168.7-174.10000107.4M129 I130 K131 Q141M129-V144 HydrophobicContact CB-CG1 4.25Å; M129-V144 HydrophobicContact SD-CG1 4.16Å; I130-V144 CarbonylContact O-C 3.53Å; I130-V144 WeakPolarHBondContact O-CA 3.25Å; K131-V144 HydrophobicContact CG-CG1 4.37Å; K131-V144 HydrophobicContact CG-CG2 4.23Å; Q141-V144 VanDerWaalsContact NE2-CG2 3.34Å
145F98.4Very high97.3Very high30 Ų3064.4 Ų64.413%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-118.1127174.7-57.6-70.8000108.9M129 I130 V132 H143 L166 F168 V179 L181M129-F145 CarbonylContact C-O 3.6Å; M129-F145 WeakPolarHBondContact CA-O 3.42Å; M129-F145 WeakPolarHBondContact CB-O 3.45Å; I130-F145 PolarHBondContact N-O 2.97Å; I130-F145 PolarHBondContact O-N 2.95Å; V132-F145 HydrophobicContact CG2-CD2 4.24Å; V132-F145 HydrophobicContact CG2-CE2 3.85Å; H143-F145 HydrophobicContact CB-CE2 3.76Å; H143-F145 HydrophobicContact CB-CZ 3.77Å; F145-L166 HydrophobicContact CD2-CD2 4.01Å; F145-L166 HydrophobicContact CE2-CD2 3.91Å; F145-F168 HydrophobicContact CB-CE1 4.27Å; F145-F168 HydrophobicContact CB-CE2 3.84Å; F145-F168 HydrophobicContact CB-CZ 3.5Å; F145-F168 VanDerWaalsContact CB-CZ 3.5Å; F145-F168 HydrophobicContact CD1-CZ 4.14Å; F145-F168 HydrophobicContact CD2-CE1 4.22Å; F145-F168 HydrophobicContact CD2-CZ 4.18Å; F145-F168 HydrophobicContact CG-CE1 4.19Å; F145-F168 HydrophobicContact CG-CE2 4.5Å; F145-F168 AromaticContact CG-CZ 3.68Å; F145-F168 HydrophobicContact CG-CZ 3.68Å; F145-V179 HydrophobicContact CD1-CG2 4.26Å; F145-V179 HydrophobicContact CE1-CB 4.49Å; F145-V179 HydrophobicContact CE1-CG1 4.01Å; F145-V179 HydrophobicContact CE1-CG2 3.94Å; F145-V179 HydrophobicContact CZ-CB 4.35Å; F145-V179 HydrophobicContact CZ-CG1 3.78Å; F145-V179 HydrophobicContact CZ-CG2 4.24Å; F145-L181 HydrophobicContact CE2-CD2 3.98Å; F145-L181 HydrophobicContact CZ-CD2 4.21Å
146E98.1Very high97.4Very high143 Ų14363.8 Ų63.867%0.66832%0.321SS*.EExtended strand (participates in β ladder)trans-74145.7172.6-63.9-175.4162.200110.4T171E146-T171 HydrophobicContact CB-CG2 4.04Å
147T98.3Very high97.5Very high10 Ų1061.6 Ų61.66%0.06131%0.306CS..  trans-128.6165.2175.968.20000109.4S128 M129 I130 F168 P169S128-T147 WeakPolarHBondContact CA-OG1 3.37Å; S128-T147 PolarHBondContact O-N 2.67Å; S128-T147 PolarHBondContact O-OG1 3.05Å; M129-T147 PolarHBondContact N-OG1 3.07Å; I130-T147 HydrophobicContact CD1-CG2 3.95Å; I130-T147 HydrophobicContact CG1-CG2 3.97Å; T147-F168 HydrophobicContact CG2-CD2 3.72Å; T147-F168 HydrophobicContact CG2-CE2 4.27Å; T147-P169 WeakPolarHBondContact CB-O 3.48Å
148C97.4Very high97.7Very high34 Ų3454.5 Ų54.523%0.2327%0.274CS..SBendtrans-60173.3156.871.50000109.9N150 P169 G170C148-N150 PolarHBondContact O-N 3.27Å; C148-N150 VanDerWaalsContact O-N 3.1Å; C148-P169 VanDerWaalsContact SG-CB 3.6Å; C148-G170 VanDerWaalsContact CB-O 3.27Å; C148-G170 WeakPolarHBondContact CB-O 3.37Å; C148-G170 PolarHBondContact N-O 3.15Å
149Y97.6Very high97.3Very high162 Ų16250.6 Ų50.664%0.63525%0.254SS*.  trans-56.2120.6171-175.6-123.1000110.2D127 P151D127-Y149 HydrophobicContact CB-CD2 4.17Å; D127-Y149 HydrophobicContact CB-CE2 3.95Å; D127-Y149 CarbonylContact O-C 3.56Å; D127-Y149 WeakPolarHBondContact O-CA 3.23Å; D127-Y149 VanDerWaalsContact OD1-CE2 3.29Å; D127-Y149 WeakPolarHBondContact OD1-CE2 3Å; Y149-P151 HydrophobicContact CD1-CB 4.48Å; Y149-P151 HydrophobicContact CD1-CG 3.95Å; Y149-P151 HydrophobicContact CE1-CB 3.8Å; Y149-P151 HydrophobicContact CE1-CG 3.64Å; Y149-P151 VanDerWaalsContact O-CD 3.32Å; Y149-P151 WeakPolarHBondContact O-CD 3.49Å
150N97.7Very high96.8Very high4 Ų451.6 Ų51.62%0.02126%0.257CS..  trans-124.260.7-168.9-168.99.3000111.8V125 D127 C148 K152 G153 L154V125-N150 WeakPolarHBondContact CG1-ND2 3.16Å; D127-N150 PolarHBondContact O-N 3.08Å; C148-N150 PolarHBondContact O-N 3.27Å; C148-N150 VanDerWaalsContact O-N 3.1Å; N150-K152 PolarHBondContact O-N 2.82Å; N150-K152 VanDerWaalsContact O-N 3.14Å; N150-G153 PolarHBondContact O-N 2.98Å; N150-G153 PolarHBondContact OD1-N 3.09Å; N150-L154 PolarHBondContact ND2-N 2.87Å; N150-L154 PolarHBondContact ND2-O 3.38Å; N150-L154 WeakPolarHBondContact OD1-CB 3.37Å; N150-L154 PolarHBondContact OD1-N 2.9Å
151P95.7Very high96.2Very high63 Ų6350.1 Ų50.141%0.40926%0.26SS..THydrogen-bonded Turntrans-65.8-22.3-174.127.6-35.9000113Y149 G153Y149-P151 HydrophobicContact CD1-CB 4.48Å; Y149-P151 HydrophobicContact CD1-CG 3.95Å; Y149-P151 HydrophobicContact CE1-CB 3.8Å; Y149-P151 HydrophobicContact CE1-CG 3.64Å; Y149-P151 VanDerWaalsContact O-CD 3.32Å; Y149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-G153 VanDerWaalsContact C-N 3.32Å
152K95.7Very high95.7Very high87 Ų8752.8 Ų52.838%0.37828%0.277SS..THydrogen-bonded Turntrans-84.4-4.7177.3-69.2-177.7175.8-177.70113.1N150 L154 N242N150-K152 PolarHBondContact O-N 2.82Å; N150-K152 VanDerWaalsContact O-N 3.14Å; K152-L154 VanDerWaalsContact C-N 3.28Å; K152-L154 HydrophobicContact CB-CD2 3.85Å; K152-L154 HydrophobicContact CB-CG 3.94Å; K152-L154 PolarHBondContact O-N 2.87Å; K152-N242 PolarHBondContact NZ-OD1 2.83Å
153G97.8Very high95.4Very high5 Ų551.1 Ų51.15%0.05227%0.269CS..  trans60.835.6-177.200000113.1A114 N150 P151 C155A114-G153 WeakPolarHBondContact CB-O 3.47Å; N150-G153 PolarHBondContact O-N 2.98Å; N150-G153 PolarHBondContact OD1-N 3.09Å; P151-G153 VanDerWaalsContact C-N 3.32Å; G153-C155 PolarHBondContact O-N 2.83Å
154L98.6Very high95.2Very high23 Ų2349.3 Ų49.312%0.1226%0.262CS..  trans-64118.6-178.2-57.9-177.1000109.9N150 K152 P169 L198 I201N150-L154 PolarHBondContact ND2-N 2.87Å; N150-L154 PolarHBondContact ND2-O 3.38Å; N150-L154 WeakPolarHBondContact OD1-CB 3.37Å; N150-L154 PolarHBondContact OD1-N 2.9Å; K152-L154 VanDerWaalsContact C-N 3.28Å; K152-L154 HydrophobicContact CB-CD2 3.85Å; K152-L154 HydrophobicContact CB-CG 3.94Å; K152-L154 PolarHBondContact O-N 2.87Å; L154-P169 HydrophobicContact CB-CG 3.71Å; L154-P169 HydrophobicContact CD1-CG 4.13Å; L154-P169 HydrophobicContact CG-CG 4.46Å; L154-P169 WeakPolarHBondContact O-CD 3.34Å; L154-L198 HydrophobicContact CD1-CB 3.9Å; L154-L198 WeakPolarHBondContact CD1-O 3.32Å; L154-I201 HydrophobicContact CB-CD1 4.18Å
155C98.5Very high95.1Very high6 Ų647.3 Ų47.34%0.04125%0.249CC..  trans-167.8136.1179.9178.10000108.4K116 V125 I130 G153 L166K116-C155 VanDerWaalsContact CE-O 3.32Å; K116-C155 WeakPolarHBondContact CE-O 3.38Å; K116-C155 HydrophobicContact CG-CB 4.36Å; V125-C155 HydrophobicContact CG2-CB 3.44Å; V125-C155 VanDerWaalsContact CG2-CB 3.44Å; I130-C155 HydrophobicContact CD1-CB 4.29Å; G153-C155 PolarHBondContact O-N 2.83Å; C155-L166 WeakPolarHBondContact SG-CD1 3.33Å
156V98.4Very high95.1Very high20 Ų2045.9 Ų45.912%0.12124%0.243CC..EExtended strand (participates in β ladder)trans-128.4135174-640000109.6A167 I201 L203 I210V156-A167 HydrophobicContact CG2-CB 3.74Å; V156-A167 PolarHBondContact N-O 2.98Å; V156-A167 PolarHBondContact O-N 3.46Å; V156-I201 HydrophobicContact CG1-CB 4.39Å; V156-I201 HydrophobicContact CG1-CG2 4Å; V156-I201 WeakPolarHBondContact CG1-O 3.32Å; V156-I201 HydrophobicContact CG2-CG2 3.78Å; V156-L203 HydrophobicContact CB-CB 3.96Å; V156-L203 HydrophobicContact CG2-CB 3.82Å; V156-I210 HydrophobicContact CG2-CD1 4.18Å
157L97.8Very high95.2Very high19 Ų1939.1 Ų39.110%0.09921%0.211CC..EExtended strand (participates in β ladder)trans-120.6124-178.1-175.467.4000108K116 R118 V123 P159 L166 L181K116-L157 HydrophobicContact CB-CB 3.84Å; K116-L157 HydrophobicContact CB-CD2 3.98Å; K116-L157 HydrophobicContact CG-CB 4.4Å; R118-L157 HydrophobicContact CB-CD2 3.86Å; V123-L157 HydrophobicContact CG2-CD1 4.1Å; V123-L157 HydrophobicContact CG2-CD2 3.94Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; L157-L166 HydrophobicContact CD1-CB 4.12Å; L157-L166 HydrophobicContact CD1-CD1 4.03Å; L157-L181 HydrophobicContact CD1-CD1 3.78Å
158C96.3Very high95.2Very high0 Ų038.7 Ų38.70%021%0.209CC..  trans-63.5127.8178.3-170.80000109.6R118 N160 N163 L165 L203 G207R118-C158 VanDerWaalsContact CZ-O 3.23Å; R118-C158 PolarHBondContact NE-O 2.99Å; R118-C158 PolarHBondContact NH2-O 2.98Å; C158-N160 VanDerWaalsContact C-N 3.35Å; C158-N163 VanDerWaalsContact CB-O 3.31Å; C158-N163 WeakPolarHBondContact CB-O 3.49Å; C158-N163 PolarHBondContact SG-O 3.12Å; C158-N163 VanDerWaalsContact SG-O 3.42Å; C158-L165 HydrophobicContact CB-CB 4.08Å; C158-L165 WeakPolarHBondContact CB-O 3.34Å; C158-L165 PolarHBondContact N-O 2.79Å; C158-L203 HydrophobicContact CB-CD2 3.64Å; C158-G207 VanDerWaalsContact SG-CA 3.57Å
159P88Confident95.3Very high22 Ų2237.2 Ų37.214%0.14320%0.199CC..  trans-88.8-7.2-176.539.3-40.3000112.7Q20 F71 L157 L205Q20-P159 HydrophobicContact CB-CB 3.68Å; Q20-P159 HydrophobicContact CB-CG 4.09Å; Q20-P159 HydrophobicContact CG-CB 3.59Å; Q20-P159 HydrophobicContact CG-CG 4.42Å; F71-P159 HydrophobicContact CE1-CB 4.19Å; F71-P159 HydrophobicContact CE2-CB 4.02Å; F71-P159 HydrophobicContact CZ-CB 3.52Å; F71-P159 HydrophobicContact CZ-CG 4.41Å; F71-P159 WeakPolarHBondContact CZ-O 3.36Å; L157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-L205 HydrophobicContact CG-CD2 4.13Å
160N88.7Confident95.3Very high56 Ų5629.5 Ų29.530%0.29917%0.169SC..  trans-67.4138.8179.3-173.2-54000111.4C158 N162 N163C158-N160 VanDerWaalsContact C-N 3.35Å; N160-N162 VanDerWaalsContact C-N 3.29Å; N160-N162 PolarHBondContact O-N 2.93Å; N160-N162 PolarHBondContact OD1-N 2.99Å; N160-N163 HydrophobicContact CB-CB 4.06Å; N160-N163 PolarHBondContact O-N 3.33Å
161S84.9Confident95.3Very high88 Ų8832.8 Ų32.862%0.61519%0.189SC*.THydrogen-bonded Turntrans-66.3-29.2-178.556.90000114
162N88.3Confident95.3Very high151 Ų15135.3 Ų35.381%0.80720%0.195SC*.THydrogen-bonded Turntrans-99.7-5.4-174.8-57.4-14.5000112N160N160-N162 VanDerWaalsContact C-N 3.29Å; N160-N162 PolarHBondContact O-N 2.93Å; N160-N162 PolarHBondContact OD1-N 2.99Å
163N90.6Very high95.4Very high33 Ų3334.5 Ų34.518%0.17620%0.2CC..  trans-129.2105.3-178-177.2-9.8000109C158 N160 L165 Q206 G207C158-N163 VanDerWaalsContact CB-O 3.31Å; C158-N163 WeakPolarHBondContact CB-O 3.49Å; C158-N163 PolarHBondContact SG-O 3.12Å; C158-N163 VanDerWaalsContact SG-O 3.42Å; N160-N163 HydrophobicContact CB-CB 4.06Å; N160-N163 PolarHBondContact O-N 3.33Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.48Å; N163-L165 WeakPolarHBondContact OD1-CB 3.23Å; N163-L165 VanDerWaalsContact OD1-CD1 3.3Å; N163-L165 WeakPolarHBondContact OD1-CD1 3.47Å; N163-L165 WeakPolarHBondContact OD1-CG 3.1Å; N163-L165 PolarHBondContact OD1-N 3.16Å; N163-Q206 PolarHBondContact ND2-O 3.31Å; N163-G207 PolarHBondContact ND2-O 3.34Å
164S93.9Very high95.4Very high12 Ų1234.3 Ų34.38%0.08420%0.199CC..  trans-95.321.5-173-84.80000114.3R118 L181R118-S164 VanDerWaalsContact CZ-CA 3.45Å; R118-S164 PolarHBondContact NH1-O 3.26Å; R118-S164 VanDerWaalsContact NH1-O 3.09Å; R118-S164 PolarHBondContact NH1-OG 3.49Å; R118-S164 PolarHBondContact NH2-O 3.09Å; R118-S164 VanDerWaalsContact NH2-O 3.12Å; S164-L181 WeakPolarHBondContact O-CB 3.49Å; S164-L181 WeakPolarHBondContact O-CG 3.2Å; S164-L181 PolarHBondContact O-N 3.07Å
165L97.5Very high95.4Very high25 Ų2535 Ų3513%0.13120%0.201CC..EExtended strand (participates in β ladder)trans-59.1138.5-176.7-74.9173.8000113.8R118 C158 N163 I178 V179 D180 G207R118-L165 PolarHBondContact NH2-O 2.81Å; R118-L165 VanDerWaalsContact NH2-O 3.13Å; C158-L165 HydrophobicContact CB-CB 4.08Å; C158-L165 WeakPolarHBondContact CB-O 3.34Å; C158-L165 PolarHBondContact N-O 2.79Å; N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.48Å; N163-L165 WeakPolarHBondContact OD1-CB 3.23Å; N163-L165 VanDerWaalsContact OD1-CD1 3.3Å; N163-L165 WeakPolarHBondContact OD1-CD1 3.47Å; N163-L165 WeakPolarHBondContact OD1-CG 3.1Å; N163-L165 PolarHBondContact OD1-N 3.16Å; L165-I178 HydrophobicContact CD2-CG2 3.6Å; L165-I178 HydrophobicContact CG-CG2 4.5Å; L165-V179 CarbonylContact C-O 3.46Å; L165-V179 WeakPolarHBondContact CA-O 3.16Å; L165-D180 HydrophobicContact CD2-CB 4.2Å; L165-G207 WeakPolarHBondContact CD1-O 3.31Å
166L98.5Very high95.4Very high0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans-125.8127.3172.3170.966.7000107.1V123 I130 V132 F145 C155 L157 F168 I178 V179 L181V123-L166 HydrophobicContact CG1-CD1 4Å; V123-L166 HydrophobicContact CG1-CD2 4.42Å; I130-L166 HydrophobicContact CG2-CD2 4.34Å; V132-L166 HydrophobicContact CG2-CD2 4.08Å; F145-L166 HydrophobicContact CD2-CD2 4.01Å; F145-L166 HydrophobicContact CE2-CD2 3.91Å; C155-L166 WeakPolarHBondContact SG-CD1 3.33Å; L157-L166 HydrophobicContact CD1-CB 4.12Å; L157-L166 HydrophobicContact CD1-CD1 4.03Å; L166-F168 HydrophobicContact CD1-CD1 4.38Å; L166-F168 HydrophobicContact CD2-CD1 4.09Å; L166-F168 HydrophobicContact CD2-CE1 3.86Å; L166-F168 HydrophobicContact CG-CD1 3.77Å; L166-F168 HydrophobicContact CG-CE1 3.89Å; L166-I178 WeakPolarHBondContact O-CA 3.48Å; L166-V179 PolarHBondContact N-O 2.94Å; L166-V179 PolarHBondContact O-N 3.34Å; L166-L181 HydrophobicContact CB-CD1 3.97Å; L166-L181 HydrophobicContact CB-CD2 4.18Å; L166-L181 HydrophobicContact CB-CG 3.89Å; L166-L181 HydrophobicContact CD2-CD1 4.27Å; L166-L181 HydrophobicContact CD2-CD2 3.91Å; L166-L181 HydrophobicContact CD2-CG 4.4Å
167A98.8Very high95.4Very high2 Ų235.7 Ų35.72%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-129.7139.917700000111.9V156 V176 Q177 I178 I210V156-A167 HydrophobicContact CG2-CB 3.74Å; V156-A167 PolarHBondContact N-O 2.98Å; V156-A167 PolarHBondContact O-N 3.46Å; A167-V176 HydrophobicContact CB-CG1 4.2Å; A167-Q177 VanDerWaalsContact CA-O 3.26Å; A167-Q177 WeakPolarHBondContact CA-O 3.36Å; A167-I178 HydrophobicContact CB-CB 4.48Å; A167-I178 HydrophobicContact CB-CG1 3.84Å; A167-I210 HydrophobicContact CB-CD1 3.48Å; A167-I210 VanDerWaalsContact CB-CD1 3.48Å
168F98.8Very high95.4Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-156.9164.3-172.348.8-90.7000111.2I130 F145 T147 L166 G170 V176 Q177 V179I130-F168 HydrophobicContact CD1-CB 3.3Å; I130-F168 HydrophobicContact CD1-CD1 3.85Å; I130-F168 HydrophobicContact CD1-CD2 4.01Å; I130-F168 HydrophobicContact CD1-CG 3.47Å; I130-F168 VanDerWaalsContact CD1-CG 3.47Å; F145-F168 HydrophobicContact CB-CE1 4.27Å; F145-F168 HydrophobicContact CB-CE2 3.84Å; F145-F168 HydrophobicContact CB-CZ 3.5Å; F145-F168 VanDerWaalsContact CB-CZ 3.5Å; F145-F168 HydrophobicContact CD1-CZ 4.14Å; F145-F168 HydrophobicContact CD2-CE1 4.22Å; F145-F168 HydrophobicContact CD2-CZ 4.18Å; F145-F168 HydrophobicContact CG-CE1 4.19Å; F145-F168 HydrophobicContact CG-CE2 4.5Å; F145-F168 AromaticContact CG-CZ 3.68Å; F145-F168 HydrophobicContact CG-CZ 3.68Å; T147-F168 HydrophobicContact CG2-CD2 3.72Å; T147-F168 HydrophobicContact CG2-CE2 4.27Å; L166-F168 HydrophobicContact CD1-CD1 4.38Å; L166-F168 HydrophobicContact CD2-CD1 4.09Å; L166-F168 HydrophobicContact CD2-CE1 3.86Å; L166-F168 HydrophobicContact CG-CD1 3.77Å; L166-F168 HydrophobicContact CG-CE1 3.89Å; F168-G170 PolarHBondContact O-N 3.22Å; F168-V176 WeakPolarHBondContact O-CA 3.49Å; F168-Q177 HydrophobicContact CD2-CB 4.17Å; F168-Q177 HydrophobicContact CE2-CB 3.77Å; F168-Q177 HydrophobicContact CE2-CG 4.15Å; F168-Q177 HydrophobicContact CZ-CB 4.13Å; F168-Q177 HydrophobicContact CZ-CG 4.14Å; F168-Q177 PolarHBondContact N-O 2.99Å; F168-Q177 PolarHBondContact O-N 2.87Å; F168-V179 HydrophobicContact CE1-CG2 3.98Å; F168-V179 HydrophobicContact CZ-CG2 3.96Å
169P98.7Very high95.5Very high3 Ų335.3 Ų35.32%0.01920%0.201CC..EExtended strand (participates in β ladder)trans-57.7125171.6-22.333.1000111.3T147 C148 L154 H175 L198 I201T147-P169 WeakPolarHBondContact CB-O 3.48Å; C148-P169 VanDerWaalsContact SG-CB 3.6Å; L154-P169 HydrophobicContact CB-CG 3.71Å; L154-P169 HydrophobicContact CD1-CG 4.13Å; L154-P169 HydrophobicContact CG-CG 4.46Å; L154-P169 WeakPolarHBondContact O-CD 3.34Å; P169-H175 WeakPolarHBondContact CA-O 3.39Å; P169-L198 HydrophobicContact CB-CD1 4.19Å; P169-L198 HydrophobicContact CG-CD1 4.29Å; P169-I201 HydrophobicContact CG-CD1 4.1Å
170G98Very high95.9Very high1 Ų136.7 Ų36.71%0.0121%0.207CC..  trans-67.8-179.5174.600000112C148 F168 H172 H175C148-G170 VanDerWaalsContact CB-O 3.27Å; C148-G170 WeakPolarHBondContact CB-O 3.37Å; C148-G170 PolarHBondContact N-O 3.15Å; F168-G170 PolarHBondContact O-N 3.22Å; G170-H172 PolarHBondContact O-N 2.73Å; G170-H175 PolarHBondContact N-O 2.98Å
171T97.3Very high96.3Very high73 Ų7334.3 Ų34.345%0.44819%0.194SC..SBendtrans-68.7-25.3176.453.60000112.7E146E146-T171 HydrophobicContact CB-CG2 4.04Å
172H97Very high96.7Very high115 Ų11533.6 Ų33.653%0.53219%0.194SC..SBendtrans-88.7137.1174.9-62.2171.7000111.5G170 G174 H175G170-H172 PolarHBondContact O-N 2.73Å; H172-G174 PolarHBondContact O-N 3.25Å; H172-H175 HydrophobicContact CB-CB 4.17Å; H172-H175 WeakPolarHBondContact O-CB 3.29Å; H172-H175 PolarHBondContact O-N 2.96Å; H172-H175 VanDerWaalsContact O-N 3.12Å
173S96.3Very high97Very high70 Ų7030.1 Ų30.149%0.4918%0.175SC..THydrogen-bonded Turntrans-57.8132.3179.3-171.60000111.3H175 A197S173-H175 PolarHBondContact O-N 2.94Å; S173-A197 PolarHBondContact OG-N 2.64Å
174G97.9Very high97Very high2 Ų231.3 Ų31.32%0.02118%0.184CC..THydrogen-bonded Turntrans77.8-3.2179.300000115.3H172 A193 H194 G196H172-G174 PolarHBondContact O-N 3.25Å; G174-A193 WeakPolarHBondContact O-CB 3.33Å; G174-A193 PolarHBondContact O-N 2.76Å; G174-A193 VanDerWaalsContact O-N 3.15Å; G174-H194 CarbonylContact C-O 3.56Å; G174-H194 WeakPolarHBondContact CA-O 3.38Å; G174-H194 PolarHBondContact O-N 3.05Å; G174-G196 WeakPolarHBondContact CA-O 3.48Å
175H98.7Very high97Very high38 Ų3839.4 Ų39.418%0.17622%0.22CC..EExtended strand (participates in β ladder)trans-85.6148.8174-76.9-129.5000112.2P169 G170 H172 S173 D190 I191 L198P169-H175 WeakPolarHBondContact CA-O 3.39Å; G170-H175 PolarHBondContact N-O 2.98Å; H172-H175 HydrophobicContact CB-CB 4.17Å; H172-H175 WeakPolarHBondContact O-CB 3.29Å; H172-H175 PolarHBondContact O-N 2.96Å; H172-H175 VanDerWaalsContact O-N 3.12Å; S173-H175 PolarHBondContact O-N 2.94Å; H175-D190 WeakPolarHBondContact CB-OD1 3.17Å; H175-D190 IonicContact CE1-OD2 3.45Å; H175-D190 PolarHBondContact CE1-OD2 3.41Å; H175-D190 IonicContact CG-OD1 3.64Å; H175-D190 VanDerWaalsContact ND1-CG 3.31Å; H175-D190 IonicContact ND1-OD1 3Å; H175-D190 PolarHBondContact ND1-OD1 2.86Å; H175-D190 IonicContact ND1-OD2 2.89Å; H175-D190 PolarHBondContact ND1-OD2 2.79Å; H175-I191 CarbonylContact C-O 3.48Å; H175-I191 VanDerWaalsContact CA-O 3.24Å; H175-I191 WeakPolarHBondContact CA-O 3.43Å; H175-L198 WeakPolarHBondContact O-CD1 3.02Å
176V98.8Very high96.8Very high1 Ų143.4 Ų43.41%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-115.7126.4169.9-176.20000108.5A167 F168 I178 I191 A193 L198 I210 T212A167-V176 HydrophobicContact CB-CG1 4.2Å; F168-V176 WeakPolarHBondContact O-CA 3.49Å; V176-I178 HydrophobicContact CG1-CG1 4.15Å; V176-I191 HydrophobicContact CB-CB 4.33Å; V176-I191 PolarHBondContact N-O 3.45Å; V176-I191 PolarHBondContact O-N 3.06Å; V176-A193 HydrophobicContact CG2-CB 3.94Å; V176-L198 HydrophobicContact CG2-CD1 3.57Å; V176-I210 HydrophobicContact CG1-CD1 3.85Å; V176-T212 HydrophobicContact CG2-CG2 3.84Å
177Q98.6Very high96.7Very high38 Ų3848.3 Ų48.318%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-97.9134.1171.1-165.6170.9-48.600109.6A167 F168 P188 V189A167-Q177 VanDerWaalsContact CA-O 3.26Å; A167-Q177 WeakPolarHBondContact CA-O 3.36Å; F168-Q177 HydrophobicContact CD2-CB 4.17Å; F168-Q177 HydrophobicContact CE2-CB 3.77Å; F168-Q177 HydrophobicContact CE2-CG 4.15Å; F168-Q177 HydrophobicContact CZ-CB 4.13Å; F168-Q177 HydrophobicContact CZ-CG 4.14Å; F168-Q177 PolarHBondContact N-O 2.99Å; F168-Q177 PolarHBondContact O-N 2.87Å; Q177-P188 HydrophobicContact CG-CB 3.74Å; Q177-P188 HydrophobicContact CG-CG 4.38Å; Q177-V189 CarbonylContact C-O 3.56Å; Q177-V189 WeakPolarHBondContact CA-O 3.32Å
178I98.5Very high96.6Very high4 Ų451.4 Ų51.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-121.6126.4178.7-54.6-173.7000109L165 L166 A167 V176 P188 V189 I191 I210 T225L165-I178 HydrophobicContact CD2-CG2 3.6Å; L165-I178 HydrophobicContact CG-CG2 4.5Å; L166-I178 WeakPolarHBondContact O-CA 3.48Å; A167-I178 HydrophobicContact CB-CB 4.48Å; A167-I178 HydrophobicContact CB-CG1 3.84Å; V176-I178 HydrophobicContact CG1-CG1 4.15Å; I178-P188 CarbonylContact O-C 3.51Å; I178-P188 VanDerWaalsContact O-CA 3.25Å; I178-P188 WeakPolarHBondContact O-CA 3.48Å; I178-P188 WeakPolarHBondContact O-CB 3.34Å; I178-V189 HydrophobicContact CB-CB 4.21Å; I178-V189 PolarHBondContact N-O 2.85Å; I178-V189 PolarHBondContact O-N 2.81Å; I178-I191 HydrophobicContact CD1-CD1 3.59Å; I178-I191 HydrophobicContact CG1-CD1 4.36Å; I178-I210 HydrophobicContact CD1-CD1 4.48Å; I178-I210 HydrophobicContact CD1-CG2 4.27Å; I178-T225 HydrophobicContact CD1-CG2 4.21Å
179V98.2Very high96.6Very high8 Ų852.9 Ų52.95%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-125.3140-179.2-175.50000109.7F145 L165 L166 F168 L181 T184 P188F145-V179 HydrophobicContact CD1-CG2 4.26Å; F145-V179 HydrophobicContact CE1-CB 4.49Å; F145-V179 HydrophobicContact CE1-CG1 4.01Å; F145-V179 HydrophobicContact CE1-CG2 3.94Å; F145-V179 HydrophobicContact CZ-CB 4.35Å; F145-V179 HydrophobicContact CZ-CG1 3.78Å; F145-V179 HydrophobicContact CZ-CG2 4.24Å; L165-V179 CarbonylContact C-O 3.46Å; L165-V179 WeakPolarHBondContact CA-O 3.16Å; L166-V179 PolarHBondContact N-O 2.94Å; L166-V179 PolarHBondContact O-N 3.34Å; F168-V179 HydrophobicContact CE1-CG2 3.98Å; F168-V179 HydrophobicContact CZ-CG2 3.96Å; V179-L181 HydrophobicContact CG1-CD2 4.49Å; V179-T184 HydrophobicContact CG1-CG2 4.36Å; V179-P188 HydrophobicContact CG2-CB 4.08Å
180D96.8Very high96.5Very high51 Ų5156.6 Ų56.627%0.27332%0.317SS..EExtended strand (participates in β ladder)trans-90.2110.2167.4-174.2-2.2000110.3L165 A182 N183 T184L165-D180 HydrophobicContact CD2-CB 4.2Å; D180-A182 PolarHBondContact O-N 3.04Å; D180-A182 WeakPolarHBondContact OD1-CB 3.46Å; D180-A182 PolarHBondContact OD1-N 3.44Å; D180-N183 CarbonylContact O-C 3.3Å; D180-N183 PolarHBondContact O-N 2.95Å; D180-N183 VanDerWaalsContact O-N 3.07Å; D180-T184 PolarHBondContact O-N 3.07Å
181L96.2Very high96.6Very high5 Ų556.7 Ų56.73%0.02632%0.317CS..THydrogen-bonded Turntrans-70.8-10179.7-59.9-179.5000113.8R121 V123 V132 F145 L157 S164 L166 V179R121-L181 HydrophobicContact CG-CD1 4.44Å; V123-L181 HydrophobicContact CG2-CD1 4.41Å; V132-L181 HydrophobicContact CG1-CD1 4.24Å; V132-L181 HydrophobicContact CG1-CD2 4.49Å; V132-L181 HydrophobicContact CG2-CD2 4.2Å; F145-L181 HydrophobicContact CE2-CD2 3.98Å; F145-L181 HydrophobicContact CZ-CD2 4.21Å; L157-L181 HydrophobicContact CD1-CD1 3.78Å; S164-L181 WeakPolarHBondContact O-CB 3.49Å; S164-L181 WeakPolarHBondContact O-CG 3.2Å; S164-L181 PolarHBondContact O-N 3.07Å; L166-L181 HydrophobicContact CB-CD1 3.97Å; L166-L181 HydrophobicContact CB-CD2 4.18Å; L166-L181 HydrophobicContact CB-CG 3.89Å; L166-L181 HydrophobicContact CD2-CD1 4.27Å; L166-L181 HydrophobicContact CD2-CD2 3.91Å; L166-L181 HydrophobicContact CD2-CG 4.4Å; V179-L181 HydrophobicContact CG1-CD2 4.49Å
182A93.9Very high96.6Very high74 Ų7457.6 Ų57.661%0.61233%0.325SS*.THydrogen-bonded Turntrans-87.5-18.3170.800000112.4D180D180-A182 PolarHBondContact O-N 3.04Å; D180-A182 WeakPolarHBondContact OD1-CB 3.46Å; D180-A182 PolarHBondContact OD1-N 3.44Å
183N94.2Very high96.7Very high77 Ų7752.2 Ų52.241%0.41230%0.3SS..  trans-145.476179-174.3-1.8000110.7D180 E185 K186D180-N183 CarbonylContact O-C 3.3Å; D180-N183 PolarHBondContact O-N 2.95Å; D180-N183 VanDerWaalsContact O-N 3.07Å; N183-E185 PolarHBondContact O-N 3.28Å; N183-K186 WeakPolarHBondContact O-CB 3.37Å; N183-K186 PolarHBondContact O-N 3.08Å; N183-K186 PolarHBondContact OD1-N 2.99Å
184T91.4Very high96.8Very high58 Ų5849.4 Ų49.436%0.35628%0.279SS..THydrogen-bonded Turntrans-75.7-6.8-177.754.10000114.2H143 V179 D180 K186H143-T184 PolarHBondContact CE1-OG1 2.98Å; V179-T184 HydrophobicContact CG1-CG2 4.36Å; D180-T184 PolarHBondContact O-N 3.07Å; T184-K186 VanDerWaalsContact C-N 3.33Å
185E92.8Very high96.7Very high182 Ų18258.8 Ų58.885%0.8532%0.322SS*.THydrogen-bonded Turntrans-76-25.8171.8-62.4-175.5170.200111.6N183N183-E185 PolarHBondContact O-N 3.28Å
186K94.3Very high96.6Very high110 Ų11058.6 Ų58.648%0.47833%0.33SS..SBendtrans-65.6132.7173.3-172.3-177.7175.9-175.50109.1N183 T184N183-K186 WeakPolarHBondContact O-CB 3.37Å; N183-K186 PolarHBondContact O-N 3.08Å; N183-K186 PolarHBondContact OD1-N 2.99Å; T184-K186 VanDerWaalsContact C-N 3.33Å
187P95.1Very high96.6Very high102 Ų10260 Ų6066%0.66234%0.342SS*.PPolyproline II helixtrans-59.7142.917824.4-34.3000110.9
188P97Very high96.6Very high67 Ų6759 Ų5944%0.43534%0.338SS..PPolyproline II helixtrans-63.5150.9176.527.5-34.4000111.1Q177 I178 V179Q177-P188 HydrophobicContact CG-CB 3.74Å; Q177-P188 HydrophobicContact CG-CG 4.38Å; I178-P188 CarbonylContact O-C 3.51Å; I178-P188 VanDerWaalsContact O-CA 3.25Å; I178-P188 WeakPolarHBondContact O-CA 3.48Å; I178-P188 WeakPolarHBondContact O-CB 3.34Å; V179-P188 HydrophobicContact CG2-CB 4.08Å
189V98.1Very high96.5Very high32 Ų3259 Ų5919%0.19434%0.339CS..EExtended strand (participates in β ladder)trans-85.9122.4167.3-175.20000107.7Q177 I178 I191Q177-V189 CarbonylContact C-O 3.56Å; Q177-V189 WeakPolarHBondContact CA-O 3.32Å; I178-V189 HydrophobicContact CB-CB 4.21Å; I178-V189 PolarHBondContact N-O 2.85Å; I178-V189 PolarHBondContact O-N 2.81Å; V189-I191 HydrophobicContact CG1-CG1 4.06Å
190D98.3Very high96.5Very high81 Ų8159.3 Ų59.343%0.43334%0.341SS..EExtended strand (participates in β ladder)trans-103.5121.5174.1-179.138.3000109.9H175H175-D190 WeakPolarHBondContact CB-OD1 3.17Å; H175-D190 IonicContact CE1-OD2 3.45Å; H175-D190 PolarHBondContact CE1-OD2 3.41Å; H175-D190 IonicContact CG-OD1 3.64Å; H175-D190 VanDerWaalsContact ND1-CG 3.31Å; H175-D190 IonicContact ND1-OD1 3Å; H175-D190 PolarHBondContact ND1-OD1 2.86Å; H175-D190 IonicContact ND1-OD2 2.89Å; H175-D190 PolarHBondContact ND1-OD2 2.79Å
191I98.7Very high96.6Very high2 Ų257.6 Ų57.61%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-113.4114.3-176.5-55.4-179.8000109H175 V176 I178 V189 A193 I210 F223H175-I191 CarbonylContact C-O 3.48Å; H175-I191 VanDerWaalsContact CA-O 3.24Å; H175-I191 WeakPolarHBondContact CA-O 3.43Å; V176-I191 HydrophobicContact CB-CB 4.33Å; V176-I191 PolarHBondContact N-O 3.45Å; V176-I191 PolarHBondContact O-N 3.06Å; I178-I191 HydrophobicContact CD1-CD1 3.59Å; I178-I191 HydrophobicContact CG1-CD1 4.36Å; V189-I191 HydrophobicContact CG1-CG1 4.06Å; I191-A193 HydrophobicContact CG2-CB 4.15Å; I191-A193 PolarHBondContact O-N 3.14Å; I191-I210 HydrophobicContact CD1-CG2 4.36Å; I191-F223 HydrophobicContact CD1-CB 4.06Å; I191-F223 HydrophobicContact CD1-CG 4.4Å; I191-F223 HydrophobicContact CG2-CD1 3.47Å; I191-F223 VanDerWaalsContact CG2-CD1 3.47Å; I191-F223 HydrophobicContact CG2-CD2 4.38Å; I191-F223 HydrophobicContact CG2-CE1 3.54Å; I191-F223 HydrophobicContact CG2-CE2 4.44Å; I191-F223 HydrophobicContact CG2-CG 3.93Å; I191-F223 HydrophobicContact CG2-CZ 4.06Å
192P98.4Very high96.7Very high93 Ų9357.6 Ų57.660%0.60433%0.332SS*.EExtended strand (participates in β ladder)trans-72.975.1170.730.8-34.6000110.2
193A98.4Very high96.9Very high1 Ų155.4 Ų55.41%0.00831%0.31CS..  trans-74.3-36.9-166.900000112.9G174 V176 I191 L198 R221 F223G174-A193 WeakPolarHBondContact O-CB 3.33Å; G174-A193 PolarHBondContact O-N 2.76Å; G174-A193 VanDerWaalsContact O-N 3.15Å; V176-A193 HydrophobicContact CG2-CB 3.94Å; I191-A193 HydrophobicContact CG2-CB 4.15Å; I191-A193 PolarHBondContact O-N 3.14Å; A193-L198 HydrophobicContact CB-CD2 4.49Å; A193-R221 WeakPolarHBondContact O-CD 3.45Å; A193-R221 PolarHBondContact O-NH1 2.86Å; A193-F223 HydrophobicContact CB-CE2 3.8Å; A193-F223 HydrophobicContact CB-CZ 3.77Å
194H98.4Very high97.1Very high12 Ų1251.9 Ų51.96%0.05629%0.291CS..  trans-145.2158.7180-63.4-93.4000111G174 G196 L198 T212 S214 R221G174-H194 CarbonylContact C-O 3.56Å; G174-H194 WeakPolarHBondContact CA-O 3.38Å; G174-H194 PolarHBondContact O-N 3.05Å; H194-G196 VanDerWaalsContact C-N 3.34Å; H194-L198 HydrophobicContact CB-CD2 4.43Å; H194-T212 PolarHBondContact NE2-O 3.09Å; H194-T212 PolarHBondContact NE2-OG1 3.03Å; H194-S214 PolarHBondContact ND1-OG 2.88Å; H194-R221 PolarHBondContact ND1-NH1 3.03Å
195E96.8Very high97.2Very high199 Ų19951.1 Ų51.193%0.9328%0.284SS*.SBendtrans-75.8-24.5173-64.7179.8155.500112.6
196G96.1Very high97.2Very high33 Ų3345.8 Ų45.834%0.3426%0.26SS..SBendtrans-114.2170.5-17900000112.4G174 H194G174-G196 WeakPolarHBondContact CA-O 3.48Å; H194-G196 VanDerWaalsContact C-N 3.34Å
197A97.9Very high97.3Very high32 Ų3240.6 Ų40.626%0.26424%0.237SC..  trans-54142.3-17700000112.5S173 S214 E215S173-A197 PolarHBondContact OG-N 2.64Å; A197-S214 CarbonylContact O-C 3.6Å; A197-S214 WeakPolarHBondContact O-CA 3.42Å; A197-S214 VanDerWaalsContact O-CB 3.29Å; A197-S214 WeakPolarHBondContact O-CB 3.46Å; A197-E215 HydrophobicContact CB-CG 4.23Å; A197-E215 PolarHBondContact O-N 3.09Å
198L98.6Very high97.4Very high15 Ų1538.8 Ų38.88%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-72.4138.6176.9-61.3179.6000110.1L154 P169 H175 V176 A193 H194 I201L154-L198 HydrophobicContact CD1-CB 3.9Å; L154-L198 WeakPolarHBondContact CD1-O 3.32Å; P169-L198 HydrophobicContact CB-CD1 4.19Å; P169-L198 HydrophobicContact CG-CD1 4.29Å; H175-L198 WeakPolarHBondContact O-CD1 3.02Å; V176-L198 HydrophobicContact CG2-CD1 3.57Å; A193-L198 HydrophobicContact CB-CD2 4.49Å; H194-L198 HydrophobicContact CB-CD2 4.43Å; L198-I201 HydrophobicContact CD1-CD1 3.78Å; L198-I201 HydrophobicContact CD1-CG1 4.28Å
199C97.5Very high97.5Very high6 Ų637.8 Ų37.84%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-115.5-22.3177.176.50000113.1A213 S214 E215C199-A213 PolarHBondContact N-O 3.42Å; C199-A213 PolarHBondContact SG-O 3.46Å; C199-S214 PolarHBondContact SG-O 3.33Å; C199-E215 HydrophobicContact CB-CG 4.04Å
200C98.3Very high97.5Very high13 Ų1336.2 Ų36.29%0.08820%0.202CC..EExtended strand (participates in β ladder)trans-155.6140.2-179.4-161.10000110.6T212 A213 I243 I246C200-T212 WeakPolarHBondContact O-CA 3.47Å; C200-A213 HydrophobicContact CB-CB 4.35Å; C200-A213 PolarHBondContact N-O 3.01Å; C200-A213 PolarHBondContact O-N 3.38Å; C200-I243 HydrophobicContact CB-CB 4.27Å; C200-I243 HydrophobicContact CB-CG2 3.93Å; C200-I246 HydrophobicContact CB-CD1 4.04Å; C200-I246 HydrophobicContact CB-CG1 4.47Å
201I98.6Very high97.5Very high16 Ų1632.4 Ų32.48%0.08218%0.182CC..EExtended strand (participates in β ladder)trans-136.9136.6176.9-57.5177.1000107.6L154 V156 P169 L198 I210 A211 T212L154-I201 HydrophobicContact CB-CD1 4.18Å; V156-I201 HydrophobicContact CG1-CB 4.39Å; V156-I201 HydrophobicContact CG1-CG2 4Å; V156-I201 WeakPolarHBondContact CG1-O 3.32Å; V156-I201 HydrophobicContact CG2-CG2 3.78Å; P169-I201 HydrophobicContact CG-CD1 4.1Å; L198-I201 HydrophobicContact CD1-CD1 3.78Å; L198-I201 HydrophobicContact CD1-CG1 4.28Å; I201-I210 HydrophobicContact CG2-CD1 3.58Å; I201-I210 HydrophobicContact CG2-CG1 3.78Å; I201-A211 CarbonylContact C-O 3.48Å; I201-A211 WeakPolarHBondContact CA-O 3.21Å; I201-T212 HydrophobicContact CG1-CG2 4.32Å; I201-T212 HydrophobicContact CG2-CG2 4.38Å
202A98.6Very high97.5Very high5 Ų532.3 Ų32.34%0.04118%0.181CC..EExtended strand (participates in β ladder)trans-138.7139.817500000110.7I210 A211 I246A202-I210 CarbonylContact O-C 3.49Å; A202-I210 WeakPolarHBondContact O-CA 3.29Å; A202-A211 PolarHBondContact N-O 3.49Å; A202-A211 PolarHBondContact O-N 3.19Å; A202-I246 HydrophobicContact CB-CB 3.82Å; A202-I246 HydrophobicContact CB-CG2 3.87Å; A202-I246 WeakPolarHBondContact CB-O 3.36Å
203L98.3Very high97.6Very high27 Ų2727.9 Ų27.914%0.14115%0.153CC..EExtended strand (participates in β ladder)trans-111.1141.7176.1-167.674000108.8V156 C158 R209 I210 T225V156-L203 HydrophobicContact CB-CB 3.96Å; V156-L203 HydrophobicContact CG2-CB 3.82Å; C158-L203 HydrophobicContact CB-CD2 3.64Å; L203-R209 WeakPolarHBondContact CD1-O 3.32Å; L203-I210 HydrophobicContact CD1-CB 4.14Å; L203-T225 HydrophobicContact CD1-CG2 3.73Å
204N97.3Very high97.5Very high3 Ų328.3 Ų28.32%0.01616%0.156CC..  trans-71.6162.1169.672.3-27.6000111.6Q206 G207 T208 R209 F248 A252N204-Q206 PolarHBondContact ND2-OE1 3.2Å; N204-Q206 VanDerWaalsContact ND2-OE1 3.12Å; N204-Q206 PolarHBondContact O-N 2.87Å; N204-G207 PolarHBondContact O-N 2.72Å; N204-G207 WeakPolarHBondContact OD1-CA 3.47Å; N204-G207 PolarHBondContact OD1-N 2.76Å; N204-G207 VanDerWaalsContact OD1-N 3.09Å; N204-T208 PolarHBondContact ND2-OG1 3.12Å; N204-T208 PolarHBondContact OD1-N 2.84Å; N204-R209 PolarHBondContact N-O 3.43Å; N204-R209 PolarHBondContact OD1-N 2.94Å; N204-R209 PolarHBondContact OD1-O 2.78Å; N204-F248 HydrophobicContact CB-CB 4.03Å; N204-F248 HydrophobicContact CB-CD1 4.17Å; N204-F248 HydrophobicContact CB-CD2 3.79Å; N204-F248 HydrophobicContact CB-CE2 4.26Å; N204-F248 HydrophobicContact CB-CG 3.73Å; N204-A252 HydrophobicContact CB-CB 3.78Å
205L93.1Very high97.5Very high42 Ų4233.5 Ų33.522%0.2218%0.18CC..THydrogen-bonded Turntrans-57.8-34.1-178.2-73.8175.5000113.6Q20 P159 G207 Q250Q20-L205 WeakPolarHBondContact O-CD2 3.26Å; P159-L205 HydrophobicContact CG-CD2 4.13Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 3.28Å; L205-Q250 HydrophobicContact CD1-CG 4.22Å
206Q94.3Very high97.5Very high71 Ų7130.6 Ų30.633%0.33216%0.164SC..THydrogen-bonded Turntrans-78.6-12.5179.6-6074.83100112.8N163 N204 T208 Q250N163-Q206 PolarHBondContact ND2-O 3.31Å; N204-Q206 PolarHBondContact ND2-OE1 3.2Å; N204-Q206 VanDerWaalsContact ND2-OE1 3.12Å; N204-Q206 PolarHBondContact O-N 2.87Å; Q206-T208 HydrophobicContact CB-CG2 4.2Å; Q206-T208 PolarHBondContact O-N 3.12Å; Q206-Q250 PolarHBondContact NE2-O 3.15Å
207G96.4Very high97.6Very high0 Ų029 Ų290%015%0.148CC..SBendtrans68.918.1-177.200000114.4C158 N163 L165 N204 L205 T225C158-G207 VanDerWaalsContact SG-CA 3.57Å; N163-G207 PolarHBondContact ND2-O 3.34Å; L165-G207 WeakPolarHBondContact CD1-O 3.31Å; N204-G207 PolarHBondContact O-N 2.72Å; N204-G207 WeakPolarHBondContact OD1-CA 3.47Å; N204-G207 PolarHBondContact OD1-N 2.76Å; N204-G207 VanDerWaalsContact OD1-N 3.09Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 3.28Å; G207-T225 WeakPolarHBondContact O-CB 3.42Å; G207-T225 PolarHBondContact O-OG1 2.81Å
208T96.9Very high97.5Very high64 Ų6428.1 Ų28.139%0.39314%0.139SC..SBendtrans-93.2-17-17954.20000113N204 Q206 T225N204-T208 PolarHBondContact ND2-OG1 3.12Å; N204-T208 PolarHBondContact OD1-N 2.84Å; Q206-T208 HydrophobicContact CB-CG2 4.2Å; Q206-T208 PolarHBondContact O-N 3.12Å; T208-T225 VanDerWaalsContact C-OG1 3.24Å; T208-T225 VanDerWaalsContact CA-OG1 3.26Å; T208-T225 WeakPolarHBondContact CA-OG1 3.3Å; T208-T225 PolarHBondContact O-N 3.44Å; T208-T225 VanDerWaalsContact O-N 3.09Å; T208-T225 PolarHBondContact O-OG1 3.36Å
209R98.1Very high97.5Very high46 Ų4628.5 Ų28.517%0.17414%0.141CC..EExtended strand (participates in β ladder)trans-138.4137.9-176.4-59.7-174-175.61728.4112.1L203 N204 I222 F223 I231 F248 A252 E270L203-R209 WeakPolarHBondContact CD1-O 3.32Å; N204-R209 PolarHBondContact N-O 3.43Å; N204-R209 PolarHBondContact OD1-N 2.94Å; N204-R209 PolarHBondContact OD1-O 2.78Å; R209-I222 HydrophobicContact CB-CG2 4.16Å; R209-F223 VanDerWaalsContact CA-O 3.3Å; R209-F223 WeakPolarHBondContact CA-O 3.28Å; R209-I231 HydrophobicContact CG-CD1 4.04Å; R209-F248 HydrophobicContact CB-CE1 4.26Å; R209-F248 HydrophobicContact CB-CZ 4.02Å; R209-A252 PolarHBondContact NH1-O 2.91Å; R209-E270 IonicContact CZ-OE1 3.3Å; R209-E270 VanDerWaalsContact CZ-OE1 3.3Å; R209-E270 IonicContact NH1-OE1 3.21Å; R209-E270 PolarHBondContact NH1-OE1 3.07Å; R209-E270 IonicContact NH2-OE1 2.7Å; R209-E270 PolarHBondContact NH2-OE1 3.41Å
210I98.7Very high97.5Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-121.4127.4176.1-172159.5000110V156 A167 V176 I178 I191 I201 A202 L203 T212 I222 F223 T225V156-I210 HydrophobicContact CG2-CD1 4.18Å; A167-I210 HydrophobicContact CB-CD1 3.48Å; A167-I210 VanDerWaalsContact CB-CD1 3.48Å; V176-I210 HydrophobicContact CG1-CD1 3.85Å; I178-I210 HydrophobicContact CD1-CD1 4.48Å; I178-I210 HydrophobicContact CD1-CG2 4.27Å; I191-I210 HydrophobicContact CD1-CG2 4.36Å; I201-I210 HydrophobicContact CG2-CD1 3.58Å; I201-I210 HydrophobicContact CG2-CG1 3.78Å; A202-I210 CarbonylContact O-C 3.49Å; A202-I210 WeakPolarHBondContact O-CA 3.29Å; L203-I210 HydrophobicContact CD1-CB 4.14Å; I210-T212 HydrophobicContact CG1-CG2 4.16Å; I210-I222 CarbonylContact O-C 3.59Å; I210-I222 VanDerWaalsContact O-CA 3.3Å; I210-I222 WeakPolarHBondContact O-CA 3.44Å; I210-F223 HydrophobicContact CG2-CB 3.8Å; I210-F223 HydrophobicContact CG2-CD2 4.44Å; I210-F223 PolarHBondContact N-O 3.14Å; I210-F223 PolarHBondContact O-N 2.92Å; I210-T225 HydrophobicContact CB-CG2 3.98Å; I210-T225 HydrophobicContact CG2-CG2 4.04Å
211A98.8Very high97.5Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-102.5136173.500000109.9I201 A202 R221 I222 I246 F248I201-A211 CarbonylContact C-O 3.48Å; I201-A211 WeakPolarHBondContact CA-O 3.21Å; A202-A211 PolarHBondContact N-O 3.49Å; A202-A211 PolarHBondContact O-N 3.19Å; A211-R221 CarbonylContact C-O 3.57Å; A211-R221 VanDerWaalsContact CA-O 3.24Å; A211-R221 WeakPolarHBondContact CA-O 3.31Å; A211-I222 HydrophobicContact CB-CG1 4.21Å; A211-I246 HydrophobicContact CB-CG2 3.77Å; A211-F248 HydrophobicContact CB-CE2 3.68Å; A211-F248 HydrophobicContact CB-CZ 3.71Å
212T98.9Very high97.5Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans-136.5150.9-178.165.10000112.9V176 H194 C200 I201 I210 I220 R221V176-T212 HydrophobicContact CG2-CG2 3.84Å; H194-T212 PolarHBondContact NE2-O 3.09Å; H194-T212 PolarHBondContact NE2-OG1 3.03Å; C200-T212 WeakPolarHBondContact O-CA 3.47Å; I201-T212 HydrophobicContact CG1-CG2 4.32Å; I201-T212 HydrophobicContact CG2-CG2 4.38Å; I210-T212 HydrophobicContact CG1-CG2 4.16Å; T212-I220 WeakPolarHBondContact O-CA 3.34Å; T212-R221 PolarHBondContact N-O 2.96Å; T212-R221 PolarHBondContact O-N 2.99Å
213A98.8Very high97.5Very high0 Ų029.5 Ų29.50%014%0.14CC..EExtended strand (participates in β ladder)trans-133.9146.4169.500000110.6C199 C200 I220 I243 I246C199-A213 PolarHBondContact N-O 3.42Å; C199-A213 PolarHBondContact SG-O 3.46Å; C200-A213 HydrophobicContact CB-CB 4.35Å; C200-A213 PolarHBondContact N-O 3.01Å; C200-A213 PolarHBondContact O-N 3.38Å; A213-I220 HydrophobicContact CB-CD1 3.66Å; A213-I243 HydrophobicContact CB-CB 4.18Å; A213-I243 HydrophobicContact CB-CG1 3.77Å; A213-I243 HydrophobicContact CB-CG2 4.34Å; A213-I246 HydrophobicContact CB-CD1 4.08Å
214S98.4Very high97.5Very high10 Ų1030.2 Ų30.27%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-93.5169.9169.150.60000111.7H194 A197 C199 K216 G217H194-S214 PolarHBondContact ND1-OG 2.88Å; A197-S214 CarbonylContact O-C 3.6Å; A197-S214 WeakPolarHBondContact O-CA 3.42Å; A197-S214 VanDerWaalsContact O-CB 3.29Å; A197-S214 WeakPolarHBondContact O-CB 3.46Å; C199-S214 PolarHBondContact SG-O 3.33Å; S214-K216 PolarHBondContact O-N 2.88Å; S214-K216 VanDerWaalsContact O-N 3.07Å; S214-G217 WeakPolarHBondContact O-CA 3.24Å; S214-G217 PolarHBondContact O-N 2.94Å
215E97.2Very high97.5Very high122 Ų12230.4 Ų30.457%0.5715%0.146SC*.THydrogen-bonded Turntrans-56.3-22.3173.9-66.4-175151.900113.7A197 C199 G217A197-E215 HydrophobicContact CB-CG 4.23Å; A197-E215 PolarHBondContact O-N 3.09Å; C199-E215 HydrophobicContact CB-CG 4.04Å; E215-G217 VanDerWaalsContact C-N 3.31Å; E215-G217 PolarHBondContact O-N 3.04Å
216K97.5Very high97.6Very high138 Ų13835.2 Ų35.260%0.617%0.169SC*.THydrogen-bonded Turntrans-65.9-33170.6-168.5174.5-174.9171.60112.2S214 T218 A240 A241S214-K216 PolarHBondContact O-N 2.88Å; S214-K216 VanDerWaalsContact O-N 3.07Å; K216-T218 HydrophobicContact CG-CG2 4.18Å; K216-T218 PolarHBondContact O-N 3.19Å; K216-A240 WeakPolarHBondContact O-CA 3.19Å; K216-A240 WeakPolarHBondContact O-CB 3.26Å; K216-A241 PolarHBondContact O-N 2.63Å
217G96.9Very high97.7Very high0 Ų034.1 Ų34.10%017%0.172CC..  trans56.915172.200000117.5S214 E215 R236 A241S214-G217 WeakPolarHBondContact O-CA 3.24Å; S214-G217 PolarHBondContact O-N 2.94Å; E215-G217 VanDerWaalsContact C-N 3.31Å; E215-G217 PolarHBondContact O-N 3.04Å; G217-R236 WeakPolarHBondContact O-CD 3.28Å; G217-R236 PolarHBondContact O-NE 2.9Å; G217-A241 WeakPolarHBondContact CA-O 3.45Å
218T96.6Very high97.7Very high13 Ų1334.8 Ų34.88%0.0818%0.179CC..SBendtrans-81.1-30.1176.547.80000111.9K216 R236 Q239K216-T218 HydrophobicContact CG-CG2 4.18Å; K216-T218 PolarHBondContact O-N 3.19Å; T218-R236 PolarHBondContact O-N 2.91Å; T218-Q239 VanDerWaalsContact CG2-O 3.26Å; T218-Q239 WeakPolarHBondContact CG2-O 3.42Å
219L97.6Very high97.7Very high22 Ų2238 Ų3812%0.11519%0.189CC..EExtended strand (participates in β ladder)trans-125.5138.6-174.8-63.2175.7000110.7E233 L234 R235L219-E233 HydrophobicContact CB-CG 4.48Å; L219-E233 HydrophobicContact CD1-CG 4.22Å; L219-E233 HydrophobicContact CD2-CG 4.01Å; L219-E233 HydrophobicContact CG-CG 4.47Å; L219-L234 CarbonylContact C-O 3.53Å; L219-L234 WeakPolarHBondContact CA-O 3.35Å; L219-R235 HydrophobicContact CD2-CB 4.13Å; L219-R235 HydrophobicContact CD2-CG 4.4Å
220I98.5Very high97.7Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-112.5126.9168.9-46-61000106.5T212 A213 L234 I243 I246 I255 V257T212-I220 WeakPolarHBondContact O-CA 3.34Å; A213-I220 HydrophobicContact CB-CD1 3.66Å; I220-L234 HydrophobicContact CB-CB 4.31Å; I220-L234 PolarHBondContact N-O 2.96Å; I220-L234 PolarHBondContact O-N 3.36Å; I220-I243 HydrophobicContact CD1-CD1 4.23Å; I220-I243 HydrophobicContact CD1-CG1 4.19Å; I220-I246 HydrophobicContact CD1-CD1 4.28Å; I220-I246 HydrophobicContact CG2-CD1 3.97Å; I220-I255 HydrophobicContact CG2-CD1 3.92Å; I220-V257 HydrophobicContact CD1-CG1 3.95Å; I220-V257 HydrophobicContact CG1-CG1 4.26Å; I220-V257 HydrophobicContact CG1-CG2 4.23Å
221R98.6Very high97.6Very high51 Ų5143.2 Ų43.219%0.19222%0.22CC..EExtended strand (participates in β ladder)trans-115.1137.4-178.9-72.1-178179.8127.82.3110.5A193 H194 A211 T212 F223 L230 Q232 E233A193-R221 WeakPolarHBondContact O-CD 3.45Å; A193-R221 PolarHBondContact O-NH1 2.86Å; H194-R221 PolarHBondContact ND1-NH1 3.03Å; A211-R221 CarbonylContact C-O 3.57Å; A211-R221 VanDerWaalsContact CA-O 3.24Å; A211-R221 WeakPolarHBondContact CA-O 3.31Å; T212-R221 PolarHBondContact N-O 2.96Å; T212-R221 PolarHBondContact O-N 2.99Å; R221-F223 HydrophobicContact CB-CD2 4.25Å; R221-F223 HydrophobicContact CB-CE2 3.34Å; R221-F223 HydrophobicContact CB-CZ 3.67Å; R221-F223 HydrophobicContact CG-CE2 4.48Å; R221-F223 HydrophobicContact CG-CZ 4.4Å; R221-L230 HydrophobicContact CB-CD1 3.74Å; R221-L230 HydrophobicContact CG-CD1 3.92Å; R221-Q232 CarbonylContact C-O 3.56Å; R221-Q232 WeakPolarHBondContact CA-O 3.42Å; R221-E233 HydrophobicContact CG-CB 4.41Å; R221-E233 HydrophobicContact CG-CG 4.14Å; R221-E233 IonicContact CZ-OE2 3.25Å; R221-E233 VanDerWaalsContact CZ-OE2 3.25Å; R221-E233 IonicContact NE-OE2 2.8Å; R221-E233 PolarHBondContact NE-OE2 2.77Å; R221-E233 IonicContact NH2-OE2 2.81Å; R221-E233 PolarHBondContact NH2-OE2 2.8Å
222I98.7Very high97.5Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-112.9126.8177.9-56.1176.1000107.8R209 I210 A211 I231 Q232 L234 F248 I255 A269R209-I222 HydrophobicContact CB-CG2 4.16Å; I210-I222 CarbonylContact O-C 3.59Å; I210-I222 VanDerWaalsContact O-CA 3.3Å; I210-I222 WeakPolarHBondContact O-CA 3.44Å; A211-I222 HydrophobicContact CB-CG1 4.21Å; I222-I231 HydrophobicContact CG2-CB 4.49Å; I222-I231 HydrophobicContact CG2-CD1 4.46Å; I222-I231 WeakPolarHBondContact O-CA 3.24Å; I222-I231 WeakPolarHBondContact O-CB 3.3Å; I222-I231 PolarHBondContact O-N 3.17Å; I222-Q232 HydrophobicContact CB-CB 4.13Å; I222-Q232 HydrophobicContact CD1-CB 4.27Å; I222-Q232 HydrophobicContact CG1-CB 4.41Å; I222-Q232 PolarHBondContact N-O 3.45Å; I222-Q232 PolarHBondContact O-N 3.35Å; I222-Q232 VanDerWaalsContact O-N 3.11Å; I222-L234 HydrophobicContact CD1-CD1 3.85Å; I222-L234 HydrophobicContact CG1-CD1 4.45Å; I222-F248 HydrophobicContact CD1-CE1 4.3Å; I222-F248 HydrophobicContact CG2-CE1 4.33Å; I222-F248 HydrophobicContact CG2-CZ 4.11Å; I222-I255 HydrophobicContact CD1-CD1 4.25Å; I222-I255 HydrophobicContact CD1-CG2 4.33Å; I222-A269 HydrophobicContact CD1-CB 3.64Å
223F98.8Very high97.4Very high10 Ų1047.3 Ų47.34%0.04424%0.239CC..EExtended strand (participates in β ladder)trans-119.4151.8-180-55.6-100.2000110.8I191 A193 R209 I210 R221 H229 L230I191-F223 HydrophobicContact CD1-CB 4.06Å; I191-F223 HydrophobicContact CD1-CG 4.4Å; I191-F223 HydrophobicContact CG2-CD1 3.47Å; I191-F223 VanDerWaalsContact CG2-CD1 3.47Å; I191-F223 HydrophobicContact CG2-CD2 4.38Å; I191-F223 HydrophobicContact CG2-CE1 3.54Å; I191-F223 HydrophobicContact CG2-CE2 4.44Å; I191-F223 HydrophobicContact CG2-CG 3.93Å; I191-F223 HydrophobicContact CG2-CZ 4.06Å; A193-F223 HydrophobicContact CB-CE2 3.8Å; A193-F223 HydrophobicContact CB-CZ 3.77Å; R209-F223 VanDerWaalsContact CA-O 3.3Å; R209-F223 WeakPolarHBondContact CA-O 3.28Å; I210-F223 HydrophobicContact CG2-CB 3.8Å; I210-F223 HydrophobicContact CG2-CD2 4.44Å; I210-F223 PolarHBondContact N-O 3.14Å; I210-F223 PolarHBondContact O-N 2.92Å; R221-F223 HydrophobicContact CB-CD2 4.25Å; R221-F223 HydrophobicContact CB-CE2 3.34Å; R221-F223 HydrophobicContact CB-CZ 3.67Å; R221-F223 HydrophobicContact CG-CE2 4.48Å; R221-F223 HydrophobicContact CG-CZ 4.4Å; F223-H229 CarbonylContact C-O 3.54Å; F223-H229 VanDerWaalsContact CA-O 3.23Å; F223-H229 WeakPolarHBondContact CA-O 3.31Å; F223-L230 HydrophobicContact CD1-CB 4Å; F223-L230 HydrophobicContact CD1-CD1 4.1Å; F223-L230 HydrophobicContact CE1-CB 3.87Å; F223-L230 HydrophobicContact CE1-CD1 3.68Å; F223-L230 HydrophobicContact CE1-CG 4.37Å; F223-L230 HydrophobicContact CE2-CD1 4.25Å; F223-L230 HydrophobicContact CZ-CD1 3.76Å
224D97.9Very high97.3Very high42 Ų4247.3 Ų47.323%0.22524%0.239CC..EExtended strand (participates in β ladder)trans-72.1132.6164.2-178.7-96.2000109.2M226 A227 G228 H229 I231D224-M226 WeakPolarHBondContact OD1-CA 3.48Å; D224-M226 WeakPolarHBondContact OD1-CB 3.44Å; D224-M226 PolarHBondContact OD1-N 2.87Å; D224-A227 PolarHBondContact OD1-N 3.01Å; D224-G228 WeakPolarHBondContact O-CA 3.41Å; D224-G228 PolarHBondContact O-N 3.16Å; D224-H229 PolarHBondContact N-O 2.9Å; D224-I231 HydrophobicContact CB-CD1 3.92Å; D224-I231 HydrophobicContact CB-CG1 4.17Å
225T97.6Very high97.2Very high8 Ų848.3 Ų48.35%0.04924%0.241CC..THydrogen-bonded Turntrans-82-16.8-175.855.70000113.5I178 L203 G207 T208 I210I178-T225 HydrophobicContact CD1-CG2 4.21Å; L203-T225 HydrophobicContact CD1-CG2 3.73Å; G207-T225 WeakPolarHBondContact O-CB 3.42Å; G207-T225 PolarHBondContact O-OG1 2.81Å; T208-T225 VanDerWaalsContact C-OG1 3.24Å; T208-T225 VanDerWaalsContact CA-OG1 3.26Å; T208-T225 WeakPolarHBondContact CA-OG1 3.3Å; T208-T225 PolarHBondContact O-N 3.44Å; T208-T225 VanDerWaalsContact O-N 3.09Å; T208-T225 PolarHBondContact O-OG1 3.36Å; I210-T225 HydrophobicContact CB-CG2 3.98Å; I210-T225 HydrophobicContact CG2-CG2 4.04Å
226M95.3Very high97.1Very high142 Ų14243 Ų4370%0.722%0.215SC*.THydrogen-bonded Turntrans-86.6-46.2-178.7-179-178.765.600111.5D224D224-M226 WeakPolarHBondContact OD1-CA 3.48Å; D224-M226 WeakPolarHBondContact OD1-CB 3.44Å; D224-M226 PolarHBondContact OD1-N 2.87Å
227A95Very high96.9Very high49 Ų4936.8 Ų36.841%0.40519%0.191SC..THydrogen-bonded Turntrans-99.2-16.2-178.700000113.5D224 H229D224-A227 PolarHBondContact OD1-N 3.01Å; A227-H229 PolarHBondContact O-N 3.13Å
228G97.3Very high96.5Very high14 Ų1440.6 Ų40.614%0.14422%0.218CC..  trans73.88.4-17600000114.4D224D224-G228 WeakPolarHBondContact O-CA 3.41Å; D224-G228 PolarHBondContact O-N 3.16Å
229H97.6Very high96.3Very high131 Ų13146.1 Ų46.161%0.60624%0.242SC*.  trans-75.6140.4-177.1-64.7164.1000112F223 D224 A227 I231F223-H229 CarbonylContact C-O 3.54Å; F223-H229 VanDerWaalsContact CA-O 3.23Å; F223-H229 WeakPolarHBondContact CA-O 3.31Å; D224-H229 PolarHBondContact N-O 2.9Å; A227-H229 PolarHBondContact O-N 3.13Å; H229-I231 PolarHBondContact O-N 2.78Å
230L97.9Very high96.3Very high88 Ų8848 Ų4846%0.46126%0.261SS..EExtended strand (participates in β ladder)trans-66.3118.1171.7-179.468.2000110.2R221 F223 Q232R221-L230 HydrophobicContact CB-CD1 3.74Å; R221-L230 HydrophobicContact CG-CD1 3.92Å; F223-L230 HydrophobicContact CD1-CB 4Å; F223-L230 HydrophobicContact CD1-CD1 4.1Å; F223-L230 HydrophobicContact CE1-CB 3.87Å; F223-L230 HydrophobicContact CE1-CD1 3.68Å; F223-L230 HydrophobicContact CE1-CG 4.37Å; F223-L230 HydrophobicContact CE2-CD1 4.25Å; F223-L230 HydrophobicContact CZ-CD1 3.76Å; L230-Q232 WeakPolarHBondContact CD1-O 3.1Å
231I96.6Very high96.1Very high68 Ų6848.2 Ų48.235%0.34926%0.263SS..EExtended strand (participates in β ladder)trans-88.9-46175.1-59172.9000110.2R209 I222 D224 H229R209-I231 HydrophobicContact CG-CD1 4.04Å; I222-I231 HydrophobicContact CG2-CB 4.49Å; I222-I231 HydrophobicContact CG2-CD1 4.46Å; I222-I231 WeakPolarHBondContact O-CA 3.24Å; I222-I231 WeakPolarHBondContact O-CB 3.3Å; I222-I231 PolarHBondContact O-N 3.17Å; D224-I231 HydrophobicContact CB-CD1 3.92Å; D224-I231 HydrophobicContact CB-CG1 4.17Å; H229-I231 PolarHBondContact O-N 2.78Å
232Q95.8Very high96Very high18 Ų1848.3 Ų48.38%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-145.9141.8-174.3-162.967.7-89.200112.6R221 I222 L230 L234R221-Q232 CarbonylContact C-O 3.56Å; R221-Q232 WeakPolarHBondContact CA-O 3.42Å; I222-Q232 HydrophobicContact CB-CB 4.13Å; I222-Q232 HydrophobicContact CD1-CB 4.27Å; I222-Q232 HydrophobicContact CG1-CB 4.41Å; I222-Q232 PolarHBondContact N-O 3.45Å; I222-Q232 PolarHBondContact O-N 3.35Å; I222-Q232 VanDerWaalsContact O-N 3.11Å; L230-Q232 WeakPolarHBondContact CD1-O 3.1Å; Q232-L234 HydrophobicContact CG-CD1 4.38Å; Q232-L234 HydrophobicContact CG-CD2 3.5Å; Q232-L234 VanDerWaalsContact CG-CD2 3.5Å; Q232-L234 HydrophobicContact CG-CG 3.7Å
233E96.7Very high95.9Very high68 Ų6848.4 Ų48.432%0.31827%0.268SS..EExtended strand (participates in β ladder)trans-115.9120.9164.4-175.2174.796.800109.4L219 R221L219-E233 HydrophobicContact CB-CG 4.48Å; L219-E233 HydrophobicContact CD1-CG 4.22Å; L219-E233 HydrophobicContact CD2-CG 4.01Å; L219-E233 HydrophobicContact CG-CG 4.47Å; R221-E233 HydrophobicContact CG-CB 4.41Å; R221-E233 HydrophobicContact CG-CG 4.14Å; R221-E233 IonicContact CZ-OE2 3.25Å; R221-E233 VanDerWaalsContact CZ-OE2 3.25Å; R221-E233 IonicContact NE-OE2 2.8Å; R221-E233 PolarHBondContact NE-OE2 2.77Å; R221-E233 IonicContact NH2-OE2 2.81Å; R221-E233 PolarHBondContact NH2-OE2 2.8Å
234L97.1Very high95.8Very high0 Ų051.3 Ų51.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116.3129.7-174.9-60.6171.8000109.4L219 I220 I222 Q232 I255 F267 N275 K293L219-L234 CarbonylContact C-O 3.53Å; L219-L234 WeakPolarHBondContact CA-O 3.35Å; I220-L234 HydrophobicContact CB-CB 4.31Å; I220-L234 PolarHBondContact N-O 2.96Å; I220-L234 PolarHBondContact O-N 3.36Å; I222-L234 HydrophobicContact CD1-CD1 3.85Å; I222-L234 HydrophobicContact CG1-CD1 4.45Å; Q232-L234 HydrophobicContact CG-CD1 4.38Å; Q232-L234 HydrophobicContact CG-CD2 3.5Å; Q232-L234 VanDerWaalsContact CG-CD2 3.5Å; Q232-L234 HydrophobicContact CG-CG 3.7Å; L234-I255 HydrophobicContact CD1-CD1 3.47Å; L234-I255 VanDerWaalsContact CD1-CD1 3.47Å; L234-I255 HydrophobicContact CD1-CG1 3.99Å; L234-F267 HydrophobicContact CB-CD1 3.86Å; L234-F267 HydrophobicContact CB-CE1 3.98Å; L234-F267 HydrophobicContact CB-CG 4.37Å; L234-F267 HydrophobicContact CD1-CB 3.7Å; L234-F267 HydrophobicContact CD1-CD1 4.15Å; L234-F267 HydrophobicContact CD1-CG 3.91Å; L234-F267 HydrophobicContact CD2-CB 4.29Å; L234-F267 HydrophobicContact CD2-CD1 4.01Å; L234-F267 HydrophobicContact CD2-CG 4.47Å; L234-F267 HydrophobicContact CG-CD1 4.23Å; L234-F267 HydrophobicContact CG-CG 4.49Å; L234-N275 WeakPolarHBondContact CD2-ND2 3.34Å; L234-K293 HydrophobicContact CD2-CB 4.26Å
235R96.7Very high95.8Very high31 Ų3150 Ų5012%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-93.6112.9179.2-175.9169.7-64.6-70.2-3.6110.4L219 F267 S292 K293 W294L219-R235 HydrophobicContact CD2-CB 4.13Å; L219-R235 HydrophobicContact CD2-CG 4.4Å; R235-F267 WeakPolarHBondContact O-CE1 3.38Å; R235-S292 PolarHBondContact NE-OG 2.8Å; R235-S292 PolarHBondContact NH2-OG 2.86Å; R235-K293 PolarHBondContact N-O 3.14Å; R235-W294 HydrophobicContact CB-CD2 4.24Å; R235-W294 VanDerWaalsContact CD-CE2 3.42Å; R235-W294 HydrophobicContact CG-CD2 4.07Å; R235-W294 HydrophobicContact CG-CE3 4.11Å; R235-W294 HydrophobicContact CG-CH2 3.94Å; R235-W294 HydrophobicContact CG-CZ2 3.87Å; R235-W294 HydrophobicContact CG-CZ3 4.07Å
236R94.9Very high95.9Very high9 Ų949.9 Ų49.93%0.03427%0.272CS..  trans-72.5-47.8171.6-177.1-127.961121.9-7.4111.6G217 T218 Q239 A241 H261 H265 F267G217-R236 WeakPolarHBondContact O-CD 3.28Å; G217-R236 PolarHBondContact O-NE 2.9Å; T218-R236 PolarHBondContact O-N 2.91Å; R236-Q239 PolarHBondContact NH2-O 2.9Å; R236-A241 VanDerWaalsContact NH1-CB 3.28Å; R236-H261 PolarHBondContact NH1-ND1 2.89Å; R236-H265 PolarHBondContact O-CE1 3.07Å; R236-H265 VanDerWaalsContact O-CE1 3.23Å; R236-F267 HydrophobicContact CB-CZ 4.41Å
237G91.9Very high96.1Very high8 Ų844.1 Ų44.18%0.08224%0.244CC..  trans-161.5166.8-17400000112.9
238S89.6Confident96.2Very high81 Ų8142 Ų4257%0.56623%0.226SC*.SBendtrans-77.2-34.4168.750.20000112
239Q93.2Very high96.2Very high128 Ų12842.2 Ų42.260%0.59822%0.223SC*.SBendtrans-87.8156.5178.9-66.8177.4-13.500111.8T218 R236T218-Q239 VanDerWaalsContact CG2-O 3.26Å; T218-Q239 WeakPolarHBondContact CG2-O 3.42Å; R236-Q239 PolarHBondContact NH2-O 2.9Å
240A96.4Very high96.1Very high61 Ų6143.4 Ų43.450%0.50423%0.229SC..  trans-64.6153.7170.800000110.9K216 H261K216-A240 WeakPolarHBondContact O-CA 3.19Å; K216-A240 WeakPolarHBondContact O-CB 3.26Å; A240-H261 PolarHBondContact O-NE2 2.7Å
241A95.6Very high96Very high5 Ų543.7 Ų43.74%0.04123%0.231CC..  trans-156.5142.6176.500000110.3K216 G217 R236 I243 D260K216-A241 PolarHBondContact O-N 2.63Å; G217-A241 WeakPolarHBondContact CA-O 3.45Å; R236-A241 VanDerWaalsContact NH1-CB 3.28Å; A241-I243 PolarHBondContact O-N 2.86Å; A241-D260 WeakPolarHBondContact CA-OD1 3.4Å; A241-D260 WeakPolarHBondContact CB-OD1 3.17Å
242N94.9Very high95.9Very high53 Ų5340.6 Ų40.628%0.28322%0.216SC..  trans-76.5113.6170.7-173.228.6000109.7K152 Y244 S259 D260K152-N242 PolarHBondContact NZ-OD1 2.83Å; N242-Y244 VanDerWaalsContact ND2-CE1 3.29Å; N242-Y244 WeakPolarHBondContact ND2-CE1 3.38Å; N242-S259 WeakPolarHBondContact O-CA 3Å; N242-S259 VanDerWaalsContact O-CB 3.3Å; N242-S259 WeakPolarHBondContact O-CB 3.38Å; N242-D260 HydrophobicContact CB-CB 4.15Å; N242-D260 VanDerWaalsContact CB-OD2 3.25Å; N242-D260 WeakPolarHBondContact CB-OD2 3.47Å; N242-D260 PolarHBondContact N-OD1 2.97Å; N242-D260 PolarHBondContact N-OD2 3.02Å; N242-D260 PolarHBondContact O-N 3.4Å
243I97.8Very high96Very high3 Ų340.6 Ų40.62%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-79.3123.2177.7-52.9-55.3000109.2C200 A213 I220 A241 I246 V257C200-I243 HydrophobicContact CB-CB 4.27Å; C200-I243 HydrophobicContact CB-CG2 3.93Å; A213-I243 HydrophobicContact CB-CB 4.18Å; A213-I243 HydrophobicContact CB-CG1 3.77Å; A213-I243 HydrophobicContact CB-CG2 4.34Å; I220-I243 HydrophobicContact CD1-CD1 4.23Å; I220-I243 HydrophobicContact CD1-CG1 4.19Å; A241-I243 PolarHBondContact O-N 2.86Å; I243-I246 HydrophobicContact CG2-CD1 4.25Å; I243-I246 HydrophobicContact CG2-CG1 3.92Å; I243-V257 HydrophobicContact CD1-CG1 4.22Å; I243-V257 HydrophobicContact CG2-CG1 3.87Å
244Y96.7Very high96.1Very high71 Ų7137.7 Ų37.728%0.27820%0.204SC..EExtended strand (participates in β ladder)trans-93-35.8-179.4-68.2-51.8000113.2N242 S258 S259 D260 P306 C307N242-Y244 VanDerWaalsContact ND2-CE1 3.29Å; N242-Y244 WeakPolarHBondContact ND2-CE1 3.38Å; Y244-S258 PolarHBondContact N-O 3.23Å; Y244-S259 VanDerWaalsContact CD2-C 3.43Å; Y244-D260 HydrophobicContact CE2-CB 3.82Å; Y244-D260 WeakPolarHBondContact OH-CB 3.41Å; Y244-P306 HydrophobicContact CD1-CB 4.48Å; Y244-P306 HydrophobicContact CD2-CB 3.94Å; Y244-P306 HydrophobicContact CE1-CB 4.12Å; Y244-P306 HydrophobicContact CE1-CG 4.47Å; Y244-P306 HydrophobicContact CE2-CB 3.49Å; Y244-P306 VanDerWaalsContact CE2-CB 3.49Å; Y244-P306 HydrophobicContact CE2-CG 3.88Å; Y244-P306 HydrophobicContact CG-CB 4.41Å; Y244-C307 WeakPolarHBondContact CB-O 3.32Å
245C98.2Very high96.1Very high14 Ų1437.7 Ų37.710%0.09520%0.204CC..EExtended strand (participates in β ladder)trans-156.1143.7-176-170.40000110.9V257 S258 V308 C309C245-V257 WeakPolarHBondContact O-CA 3.26Å; C245-S258 VanDerWaalsContact CB-OG 3.32Å; C245-S258 WeakPolarHBondContact CB-OG 3.3Å; C245-S258 PolarHBondContact N-OG 3.14Å; C245-S258 PolarHBondContact O-N 2.81Å; C245-V308 HydrophobicContact CB-CB 4.15Å; C245-V308 HydrophobicContact CB-CG1 4.19Å; C245-C309 PolarHBondContact SG-O 2.84Å; C245-C309 VanDerWaalsContact SG-O 3.41Å
246I98.8Very high96.2Very high5 Ų536.2 Ų36.23%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-129136166.9-58.2165.4000106C200 A202 A211 A213 I220 I243 I255 C256 V257C200-I246 HydrophobicContact CB-CD1 4.04Å; C200-I246 HydrophobicContact CB-CG1 4.47Å; A202-I246 HydrophobicContact CB-CB 3.82Å; A202-I246 HydrophobicContact CB-CG2 3.87Å; A202-I246 WeakPolarHBondContact CB-O 3.36Å; A211-I246 HydrophobicContact CB-CG2 3.77Å; A213-I246 HydrophobicContact CB-CD1 4.08Å; I220-I246 HydrophobicContact CD1-CD1 4.28Å; I220-I246 HydrophobicContact CG2-CD1 3.97Å; I243-I246 HydrophobicContact CG2-CD1 4.25Å; I243-I246 HydrophobicContact CG2-CG1 3.92Å; I246-I255 HydrophobicContact CG2-CD1 4.5Å; I246-C256 WeakPolarHBondContact CA-O 3.44Å; I246-V257 HydrophobicContact CG1-CG1 4.15Å; I246-V257 HydrophobicContact CG1-CG2 4.25Å; I246-V257 HydrophobicContact CG2-CG2 4.33Å
247N98.7Very high96.4Very high22 Ų2235.8 Ų35.812%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-142.2143.6169.3-89.4-44.2000110.8H22 I255 C256 C309H22-N247 PolarHBondContact NE2-OD1 3.45Å; N247-I255 CarbonylContact O-C 3.41Å; N247-I255 VanDerWaalsContact O-CA 3.24Å; N247-I255 WeakPolarHBondContact O-CA 3.25Å; N247-C256 PolarHBondContact N-O 2.98Å; N247-C256 PolarHBondContact O-N 3.5Å; N247-C309 PolarHBondContact ND2-O 2.84Å
248F98.6Very high96.7Very high4 Ų435.4 Ų35.42%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-81.1153.2166.9-70.5-91.7000109.8N204 R209 A211 I222 A252 L254 I255N204-F248 HydrophobicContact CB-CB 4.03Å; N204-F248 HydrophobicContact CB-CD1 4.17Å; N204-F248 HydrophobicContact CB-CD2 3.79Å; N204-F248 HydrophobicContact CB-CE2 4.26Å; N204-F248 HydrophobicContact CB-CG 3.73Å; R209-F248 HydrophobicContact CB-CE1 4.26Å; R209-F248 HydrophobicContact CB-CZ 4.02Å; A211-F248 HydrophobicContact CB-CE2 3.68Å; A211-F248 HydrophobicContact CB-CZ 3.71Å; I222-F248 HydrophobicContact CD1-CE1 4.3Å; I222-F248 HydrophobicContact CG2-CE1 4.33Å; I222-F248 HydrophobicContact CG2-CZ 4.11Å; F248-A252 HydrophobicContact CB-CB 4.41Å; F248-A252 HydrophobicContact CD1-CB 3.72Å; F248-A252 HydrophobicContact CE1-CB 4.37Å; F248-A252 HydrophobicContact CG-CB 4.32Å; F248-L254 WeakPolarHBondContact CA-O 2.88Å; F248-I255 HydrophobicContact CD1-CG2 3.32Å; F248-I255 HydrophobicContact CD2-CG2 4.33Å; F248-I255 HydrophobicContact CE1-CG2 3.44Å; F248-I255 VanDerWaalsContact CE1-CG2 3.44Å; F248-I255 HydrophobicContact CE2-CG2 4.42Å; F248-I255 HydrophobicContact CG-CG2 3.81Å; F248-I255 HydrophobicContact CZ-CG2 4.02Å
249N97.5Very high97Very high18 Ų1831.7 Ų31.710%0.09617%0.167CC..  trans-75.7177.4160.672.8-28.8000110.5D251 A252 S253 L254 F311N249-D251 VanDerWaalsContact C-N 3.33Å; N249-D251 PolarHBondContact ND2-OD1 2.92Å; N249-D251 PolarHBondContact O-N 2.86Å; N249-D251 PolarHBondContact OD1-OD1 2.88Å; N249-A252 PolarHBondContact O-N 3.14Å; N249-A252 WeakPolarHBondContact OD1-CA 3.3Å; N249-A252 PolarHBondContact OD1-N 2.98Å; N249-S253 PolarHBondContact ND2-OG 2.86Å; N249-S253 VanDerWaalsContact ND2-OG 3.15Å; N249-S253 PolarHBondContact OD1-N 3.39Å; N249-L254 HydrophobicContact CB-CB 4.32Å; N249-L254 PolarHBondContact N-O 3.32Å; N249-L254 PolarHBondContact OD1-N 3.05Å; N249-L254 PolarHBondContact OD1-O 3.2Å; N249-F311 HydrophobicContact CB-CB 4.12Å; N249-F311 HydrophobicContact CB-CD1 3.88Å; N249-F311 HydrophobicContact CB-CD2 3.41Å; N249-F311 VanDerWaalsContact CB-CD2 3.41Å; N249-F311 HydrophobicContact CB-CE1 4.14Å; N249-F311 HydrophobicContact CB-CE2 3.69Å; N249-F311 HydrophobicContact CB-CG 3.51Å; N249-F311 HydrophobicContact CB-CZ 4.05Å; N249-F311 VanDerWaalsContact N-CD2 3.33Å; N249-F311 VanDerWaalsContact N-CE2 3.34Å
250Q94.6Very high96.9Very high157 Ų15729 Ų2973%0.73416%0.157SC*.THydrogen-bonded Turntrans-58.3-38.2-170.3-169.6178.51.700114.6L205 Q206L205-Q250 HydrophobicContact CD1-CG 4.22Å; Q206-Q250 PolarHBondContact NE2-O 3.15Å
251D94.9Very high96.5Very high94 Ų9429.5 Ų29.550%0.50315%0.149SC..THydrogen-bonded Turntrans-95.72.9179.767.3-0.4000113.5N249 S253N249-D251 VanDerWaalsContact C-N 3.33Å; N249-D251 PolarHBondContact ND2-OD1 2.92Å; N249-D251 PolarHBondContact O-N 2.86Å; N249-D251 PolarHBondContact OD1-OD1 2.88Å; D251-S253 VanDerWaalsContact CG-OG 3.28Å; D251-S253 PolarHBondContact O-N 2.81Å; D251-S253 WeakPolarHBondContact OD1-CB 3.06Å; D251-S253 PolarHBondContact OD1-N 2.85Å; D251-S253 PolarHBondContact OD1-OG 3.36Å; D251-S253 PolarHBondContact OD2-OG 2.82Å
252A96.5Very high95.9Very high2 Ų229.3 Ų29.32%0.01715%0.147CC..SBendtrans58.219.6-175.100000115.2N204 R209 F248 N249 L254 A269N204-A252 HydrophobicContact CB-CB 3.78Å; R209-A252 PolarHBondContact NH1-O 2.91Å; F248-A252 HydrophobicContact CB-CB 4.41Å; F248-A252 HydrophobicContact CD1-CB 3.72Å; F248-A252 HydrophobicContact CE1-CB 4.37Å; F248-A252 HydrophobicContact CG-CB 4.32Å; N249-A252 PolarHBondContact O-N 3.14Å; N249-A252 WeakPolarHBondContact OD1-CA 3.3Å; N249-A252 PolarHBondContact OD1-N 2.98Å; A252-L254 VanDerWaalsContact C-N 3.33Å; A252-A269 WeakPolarHBondContact O-CB 3.21Å
253S96.8Very high95.7Very high18 Ų1827.7 Ų27.713%0.12614%0.139CC..SBendtrans-75.2-23.1174.167.90000112.7N249 D251 A269 E270N249-S253 PolarHBondContact ND2-OG 2.86Å; N249-S253 VanDerWaalsContact ND2-OG 3.15Å; N249-S253 PolarHBondContact OD1-N 3.39Å; D251-S253 VanDerWaalsContact CG-OG 3.28Å; D251-S253 PolarHBondContact O-N 2.81Å; D251-S253 WeakPolarHBondContact OD1-CB 3.06Å; D251-S253 PolarHBondContact OD1-N 2.85Å; D251-S253 PolarHBondContact OD1-OG 3.36Å; D251-S253 PolarHBondContact OD2-OG 2.82Å; S253-A269 PolarHBondContact O-N 3.34Å; S253-E270 PolarHBondContact O-N 3.4Å
254L97.9Very high95.7Very high7 Ų727.5 Ų27.54%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-129154.7179.7-55.8-178.9000112F248 N249 A252 F267 A268 F296 F311 F332F248-L254 WeakPolarHBondContact CA-O 2.88Å; N249-L254 HydrophobicContact CB-CB 4.32Å; N249-L254 PolarHBondContact N-O 3.32Å; N249-L254 PolarHBondContact OD1-N 3.05Å; N249-L254 PolarHBondContact OD1-O 3.2Å; A252-L254 VanDerWaalsContact C-N 3.33Å; L254-F267 CarbonylContact C-O 3.55Å; L254-F267 VanDerWaalsContact CA-O 3.26Å; L254-F267 WeakPolarHBondContact CA-O 3.43Å; L254-A268 HydrophobicContact CD2-CB 4.26Å; L254-F296 HydrophobicContact CD2-CE1 3.83Å; L254-F296 HydrophobicContact CD2-CZ 4.06Å; L254-F311 HydrophobicContact CB-CE1 3.84Å; L254-F311 HydrophobicContact CB-CE2 4.28Å; L254-F311 HydrophobicContact CB-CZ 3.46Å; L254-F311 VanDerWaalsContact CB-CZ 3.46Å; L254-F311 HydrophobicContact CD1-CE1 3.82Å; L254-F311 HydrophobicContact CD1-CZ 4.32Å; L254-F332 HydrophobicContact CD1-CE2 4.02Å; L254-F332 HydrophobicContact CD1-CZ 3.73Å
255I98.6Very high95.8Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-127.9145.2163.862.7163.3000111.4I220 I222 L234 I246 N247 F248 V257 I266 F267 A269I220-I255 HydrophobicContact CG2-CD1 3.92Å; I222-I255 HydrophobicContact CD1-CD1 4.25Å; I222-I255 HydrophobicContact CD1-CG2 4.33Å; L234-I255 HydrophobicContact CD1-CD1 3.47Å; L234-I255 VanDerWaalsContact CD1-CD1 3.47Å; L234-I255 HydrophobicContact CD1-CG1 3.99Å; I246-I255 HydrophobicContact CG2-CD1 4.5Å; N247-I255 CarbonylContact O-C 3.41Å; N247-I255 VanDerWaalsContact O-CA 3.24Å; N247-I255 WeakPolarHBondContact O-CA 3.25Å; F248-I255 HydrophobicContact CD1-CG2 3.32Å; F248-I255 HydrophobicContact CD2-CG2 4.33Å; F248-I255 HydrophobicContact CE1-CG2 3.44Å; F248-I255 VanDerWaalsContact CE1-CG2 3.44Å; F248-I255 HydrophobicContact CE2-CG2 4.42Å; F248-I255 HydrophobicContact CG-CG2 3.81Å; F248-I255 HydrophobicContact CZ-CG2 4.02Å; I255-V257 HydrophobicContact CD1-CG2 3.9Å; I255-V257 HydrophobicContact CG1-CG2 4.41Å; I255-I266 WeakPolarHBondContact O-CA 3.43Å; I255-F267 HydrophobicContact CD1-CB 4.46Å; I255-F267 HydrophobicContact CD1-CD2 4.21Å; I255-F267 HydrophobicContact CG1-CB 3.81Å; I255-F267 HydrophobicContact CG1-CD2 4.04Å; I255-F267 HydrophobicContact CG1-CG 4.33Å; I255-F267 PolarHBondContact N-O 3.2Å; I255-F267 PolarHBondContact O-N 3.23Å; I255-A269 HydrophobicContact CG2-CB 4.33Å
256C98.6Very high95.8Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-108.2142.2166.863.10000110.1I246 N247 V264 H265 C309 F311 V318I246-C256 WeakPolarHBondContact CA-O 3.44Å; N247-C256 PolarHBondContact N-O 2.98Å; N247-C256 PolarHBondContact O-N 3.5Å; C256-V264 HydrophobicContact CB-CG1 4.32Å; C256-H265 CarbonylContact C-O 3.59Å; C256-H265 VanDerWaalsContact CA-O 3.28Å; C256-H265 WeakPolarHBondContact CA-O 3.41Å; C256-C309 VanDerWaalsContact SG-SG 3.62Å; C256-F311 HydrophobicContact CB-CE2 3.93Å; C256-F311 HydrophobicContact CB-CZ 4.06Å; C256-V318 HydrophobicContact CB-CG1 4.14Å; C256-V318 HydrophobicContact CB-CG2 4.47Å
257V98.7Very high95.7Very high1 Ų123.8 Ų23.81%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-138121-175.8-1750000110I220 I243 C245 I246 I255 V264 H265 F267I220-V257 HydrophobicContact CD1-CG1 3.95Å; I220-V257 HydrophobicContact CG1-CG1 4.26Å; I220-V257 HydrophobicContact CG1-CG2 4.23Å; I243-V257 HydrophobicContact CD1-CG1 4.22Å; I243-V257 HydrophobicContact CG2-CG1 3.87Å; C245-V257 WeakPolarHBondContact O-CA 3.26Å; I246-V257 HydrophobicContact CG1-CG1 4.15Å; I246-V257 HydrophobicContact CG1-CG2 4.25Å; I246-V257 HydrophobicContact CG2-CG2 4.33Å; I255-V257 HydrophobicContact CD1-CG2 3.9Å; I255-V257 HydrophobicContact CG1-CG2 4.41Å; V257-V264 CarbonylContact O-C 3.59Å; V257-V264 WeakPolarHBondContact O-CA 3.32Å; V257-H265 PolarHBondContact N-O 3.21Å; V257-H265 PolarHBondContact O-N 3.38Å; V257-F267 HydrophobicContact CB-CE2 4.24Å; V257-F267 HydrophobicContact CG2-CD2 4.1Å; V257-F267 HydrophobicContact CG2-CE2 3.88Å
258S98.1Very high95.6Very high0 Ų022.8 Ų22.80%012%0.117CC..EExtended strand (participates in β ladder)trans-105.7147.3175.562.10000112Y244 C245 C307Y244-S258 PolarHBondContact N-O 3.23Å; C245-S258 VanDerWaalsContact CB-OG 3.32Å; C245-S258 WeakPolarHBondContact CB-OG 3.3Å; C245-S258 PolarHBondContact N-OG 3.14Å; C245-S258 PolarHBondContact O-N 2.81Å; S258-C307 WeakPolarHBondContact CB-O 3.18Å; S258-C307 PolarHBondContact OG-O 2.77Å
259S95.6Very high95.4Very high3 Ų322.6 Ų22.62%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-143.2172.8177.699.70000113N242 Y244 H261 G262 T263N242-S259 WeakPolarHBondContact O-CA 3Å; N242-S259 VanDerWaalsContact O-CB 3.3Å; N242-S259 WeakPolarHBondContact O-CB 3.38Å; Y244-S259 VanDerWaalsContact CD2-C 3.43Å; S259-H261 PolarHBondContact O-N 3.07Å; S259-H261 VanDerWaalsContact O-N 3.15Å; S259-H261 PolarHBondContact OG-N 3.41Å; S259-H261 VanDerWaalsContact OG-N 3.14Å; S259-G262 PolarHBondContact O-N 3.33Å; S259-T263 PolarHBondContact N-O 2.88Å
260D92Very high95.1Very high70 Ų7026.4 Ų26.437%0.37413%0.133SC..THydrogen-bonded Turntrans-61.4-6.9171.462-9.5000115.9A241 N242 Y244 G262A241-D260 WeakPolarHBondContact CA-OD1 3.4Å; A241-D260 WeakPolarHBondContact CB-OD1 3.17Å; N242-D260 HydrophobicContact CB-CB 4.15Å; N242-D260 VanDerWaalsContact CB-OD2 3.25Å; N242-D260 WeakPolarHBondContact CB-OD2 3.47Å; N242-D260 PolarHBondContact N-OD1 2.97Å; N242-D260 PolarHBondContact N-OD2 3.02Å; N242-D260 PolarHBondContact O-N 3.4Å; Y244-D260 HydrophobicContact CE2-CB 3.82Å; Y244-D260 WeakPolarHBondContact OH-CB 3.41Å; D260-G262 PolarHBondContact O-N 3.21Å
261H87.6Confident94.8Very high72 Ų7222.3 Ų22.333%0.33312%0.116SC..THydrogen-bonded Turntrans-80.59.9170.6-76.2-142.5000112R236 A240 S259 T263R236-H261 PolarHBondContact NH1-ND1 2.89Å; A240-H261 PolarHBondContact O-NE2 2.7Å; S259-H261 PolarHBondContact O-N 3.07Å; S259-H261 VanDerWaalsContact O-N 3.15Å; S259-H261 PolarHBondContact OG-N 3.41Å; S259-H261 VanDerWaalsContact OG-N 3.14Å; H261-T263 PolarHBondContact O-N 2.94Å; H261-T263 VanDerWaalsContact O-N 3.12Å
262G82.4Confident94.1Very high1 Ų119.7 Ų19.71%0.0111%0.105CC..SBendtrans65.414.8-179.200000113.9S259 D260 Q300 V301S259-G262 PolarHBondContact O-N 3.33Å; D260-G262 PolarHBondContact O-N 3.21Å; G262-Q300 CarbonylContact O-C 3.58Å; G262-Q300 VanDerWaalsContact O-CA 3.3Å; G262-Q300 WeakPolarHBondContact O-CA 3.5Å; G262-Q300 VanDerWaalsContact O-CG 3.32Å; G262-Q300 WeakPolarHBondContact O-CG 3.48Å; G262-V301 WeakPolarHBondContact O-CG2 3.35Å; G262-V301 PolarHBondContact O-N 2.94Å
263T91.2Very high93.7Very high19 Ų1928.9 Ų28.912%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-115.8144.4-175.647.80000111.7S259 H261 F299 Q300S259-T263 PolarHBondContact N-O 2.88Å; H261-T263 PolarHBondContact O-N 2.94Å; H261-T263 VanDerWaalsContact O-N 3.12Å; T263-F299 CarbonylContact C-O 3.58Å; T263-F299 VanDerWaalsContact CA-O 3.28Å; T263-F299 WeakPolarHBondContact CA-O 3.33Å; T263-Q300 HydrophobicContact CG2-CB 4.15Å; T263-Q300 HydrophobicContact CG2-CG 4.25Å
264V97.8Very high93.3Very high0 Ų032.8 Ų32.80%016%0.156CC..EExtended strand (participates in β ladder)trans-110.9120.3168.6-176.10000107.8C256 V257 K298 F299 C309 V318 A320C256-V264 HydrophobicContact CB-CG1 4.32Å; V257-V264 CarbonylContact O-C 3.59Å; V257-V264 WeakPolarHBondContact O-CA 3.32Å; V264-K298 CarbonylContact O-C 3.56Å; V264-K298 WeakPolarHBondContact O-CA 3.33Å; V264-K298 WeakPolarHBondContact O-CB 2.95Å; V264-F299 HydrophobicContact CB-CD1 4.28Å; V264-F299 HydrophobicContact CB-CD2 4.28Å; V264-F299 HydrophobicContact CB-CE1 3.75Å; V264-F299 HydrophobicContact CB-CE2 3.75Å; V264-F299 HydrophobicContact CB-CZ 3.46Å; V264-F299 VanDerWaalsContact CB-CZ 3.46Å; V264-F299 HydrophobicContact CG1-CE1 3.9Å; V264-F299 HydrophobicContact CG1-CZ 3.78Å; V264-F299 HydrophobicContact CG2-CD2 4.44Å; V264-F299 HydrophobicContact CG2-CE2 3.68Å; V264-F299 HydrophobicContact CG2-CZ 3.73Å; V264-F299 PolarHBondContact N-O 2.77Å; V264-F299 PolarHBondContact O-N 3.44Å; V264-C309 HydrophobicContact CG1-CB 3.92Å; V264-C309 HydrophobicContact CG2-CB 4.38Å; V264-V318 HydrophobicContact CG1-CG1 4.02Å; V264-A320 HydrophobicContact CG2-CB 4.47Å
265H98.1Very high92.9Very high11 Ų1133 Ų335%0.05116%0.157CC..EExtended strand (participates in β ladder)trans-98141.3177.9-73.6-101.5000110.7R236 C256 V257 F267 S295R236-H265 PolarHBondContact O-CE1 3.07Å; R236-H265 VanDerWaalsContact O-CE1 3.23Å; C256-H265 CarbonylContact C-O 3.59Å; C256-H265 VanDerWaalsContact CA-O 3.28Å; C256-H265 WeakPolarHBondContact CA-O 3.41Å; V257-H265 PolarHBondContact N-O 3.21Å; V257-H265 PolarHBondContact O-N 3.38Å; H265-F267 HydrophobicContact CB-CD2 4.22Å; H265-F267 HydrophobicContact CB-CE2 3.4Å; H265-F267 VanDerWaalsContact CB-CE2 3.4Å; H265-F267 HydrophobicContact CB-CZ 3.86Å; H265-S295 PolarHBondContact ND1-OG 3.46Å
266I98.3Very high92.3Very high1 Ų138.8 Ų38.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-118.6124.1176.3-45.7174.7000108.7I255 S295 F296 S297 F299 F311 V318 F332I255-I266 WeakPolarHBondContact O-CA 3.43Å; I266-S295 CarbonylContact O-C 3.51Å; I266-S295 VanDerWaalsContact O-CA 3.3Å; I266-S295 WeakPolarHBondContact O-CA 3.3Å; I266-S295 VanDerWaalsContact O-CB 3.24Å; I266-S295 WeakPolarHBondContact O-CB 3.49Å; I266-F296 HydrophobicContact CB-CE1 4.44Å; I266-F296 HydrophobicContact CB-CZ 4.17Å; I266-F296 HydrophobicContact CG2-CE1 3.87Å; I266-F296 HydrophobicContact CG2-CE2 4.31Å; I266-F296 HydrophobicContact CG2-CZ 3.51Å; I266-F296 WeakPolarHBondContact O-CD1 3.36Å; I266-F296 PolarHBondContact O-N 3.33Å; I266-F296 VanDerWaalsContact O-N 3.14Å; I266-S297 PolarHBondContact N-O 2.94Å; I266-S297 PolarHBondContact O-N 3.29Å; I266-F299 HydrophobicContact CD1-CE1 4.5Å; I266-F311 HydrophobicContact CG2-CE1 4.23Å; I266-F311 HydrophobicContact CG2-CZ 4.26Å; I266-V318 HydrophobicContact CD1-CB 4.44Å; I266-V318 HydrophobicContact CD1-CG2 3.6Å; I266-V318 HydrophobicContact CG1-CG2 4.11Å; I266-F332 HydrophobicContact CD1-CB 3.92Å; I266-F332 HydrophobicContact CD1-CD1 3.48Å; I266-F332 VanDerWaalsContact CD1-CD1 3.48Å; I266-F332 HydrophobicContact CD1-CD2 4.3Å; I266-F332 HydrophobicContact CD1-CE1 4.01Å; I266-F332 HydrophobicContact CD1-CG 3.64Å; I266-F332 HydrophobicContact CG2-CZ 4.44Å
267F98.1Very high91.6Very high0 Ų043.8 Ų43.80%021%0.206CC..EExtended strand (participates in β ladder)trans-120.5146.8-179.3-57-98.9000110.7L234 R235 R236 L254 I255 V257 H265 S295L234-F267 HydrophobicContact CB-CD1 3.86Å; L234-F267 HydrophobicContact CB-CE1 3.98Å; L234-F267 HydrophobicContact CB-CG 4.37Å; L234-F267 HydrophobicContact CD1-CB 3.7Å; L234-F267 HydrophobicContact CD1-CD1 4.15Å; L234-F267 HydrophobicContact CD1-CG 3.91Å; L234-F267 HydrophobicContact CD2-CB 4.29Å; L234-F267 HydrophobicContact CD2-CD1 4.01Å; L234-F267 HydrophobicContact CD2-CG 4.47Å; L234-F267 HydrophobicContact CG-CD1 4.23Å; L234-F267 HydrophobicContact CG-CG 4.49Å; R235-F267 WeakPolarHBondContact O-CE1 3.38Å; R236-F267 HydrophobicContact CB-CZ 4.41Å; L254-F267 CarbonylContact C-O 3.55Å; L254-F267 VanDerWaalsContact CA-O 3.26Å; L254-F267 WeakPolarHBondContact CA-O 3.43Å; I255-F267 HydrophobicContact CD1-CB 4.46Å; I255-F267 HydrophobicContact CD1-CD2 4.21Å; I255-F267 HydrophobicContact CG1-CB 3.81Å; I255-F267 HydrophobicContact CG1-CD2 4.04Å; I255-F267 HydrophobicContact CG1-CG 4.33Å; I255-F267 PolarHBondContact N-O 3.2Å; I255-F267 PolarHBondContact O-N 3.23Å; V257-F267 HydrophobicContact CB-CE2 4.24Å; V257-F267 HydrophobicContact CG2-CD2 4.1Å; V257-F267 HydrophobicContact CG2-CE2 3.88Å; H265-F267 HydrophobicContact CB-CD2 4.22Å; H265-F267 HydrophobicContact CB-CE2 3.4Å; H265-F267 VanDerWaalsContact CB-CE2 3.4Å; H265-F267 HydrophobicContact CB-CZ 3.86Å; F267-S295 VanDerWaalsContact CD1-CA 3.43Å
268A96.4Very high90.5Very high0 Ų045.8 Ų45.80%022%0.219CC..EExtended strand (participates in β ladder)trans-77.9121.8162.200000108.6L254 D271 R274 N275 F296L254-A268 HydrophobicContact CD2-CB 4.26Å; A268-D271 WeakPolarHBondContact CB-O 3.24Å; A268-R274 HydrophobicContact CB-CB 3.82Å; A268-N275 PolarHBondContact N-OD1 3.32Å; A268-N275 PolarHBondContact O-ND2 3.12Å; A268-F296 HydrophobicContact CB-CD1 4.34Å; A268-F296 HydrophobicContact CB-CE1 4.34Å
269A94.4Very high88.9Confident1 Ų151.2 Ų51.21%0.00826%0.257CS..SBendtrans-84.8-37.3177.500000111.4I222 A252 S253 I255I222-A269 HydrophobicContact CD1-CB 3.64Å; A252-A269 WeakPolarHBondContact O-CB 3.21Å; S253-A269 PolarHBondContact O-N 3.34Å; I255-A269 HydrophobicContact CG2-CB 4.33Å
270E89.9Confident87.2Confident98 Ų9855.4 Ų55.446%0.45828%0.279SS..SBendtrans-94.2-48.7-176.4-75.4-171156.700114.7R209 S253 P272R209-E270 IonicContact CZ-OE1 3.3Å; R209-E270 VanDerWaalsContact CZ-OE1 3.3Å; R209-E270 IonicContact NH1-OE1 3.21Å; R209-E270 PolarHBondContact NH1-OE1 3.07Å; R209-E270 IonicContact NH2-OE1 2.7Å; R209-E270 PolarHBondContact NH2-OE1 3.41Å; S253-E270 PolarHBondContact O-N 3.4Å; E270-P272 WeakPolarHBondContact O-CD 3.14Å
271D88Confident85.9Confident71 Ų7153.2 Ų53.238%0.3827%0.271SS..  trans-100.389.8179.1-178.38.2000110.4A268 K273 R274A268-D271 WeakPolarHBondContact CB-O 3.24Å; D271-K273 PolarHBondContact O-N 3.09Å; D271-K273 VanDerWaalsContact O-N 3.09Å; D271-K273 VanDerWaalsContact OD1-CB 3.32Å; D271-K273 WeakPolarHBondContact OD1-CB 3.3Å; D271-K273 PolarHBondContact OD1-N 3.23Å; D271-R274 HydrophobicContact CB-CG 4.35Å; D271-R274 PolarHBondContact O-N 2.85Å; D271-R274 WeakPolarHBondContact OD2-CG 3.35Å
272P82.1Confident84.6Confident39 Ų3955.1 Ų55.125%0.25329%0.292SS..G310 helixtrans-63-16.7-179.124-34.2000114.1E270 R274 N275 K293E270-P272 WeakPolarHBondContact O-CD 3.14Å; P272-R274 PolarHBondContact O-N 2.83Å; P272-N275 WeakPolarHBondContact O-CB 3.26Å; P272-N275 PolarHBondContact O-N 2.65Å; P272-N275 VanDerWaalsContact O-N 3.12Å; P272-K293 HydrophobicContact CB-CD 3.58Å; P272-K293 VanDerWaalsContact CB-CE 3.46Å
273K86.1Confident83.7Confident194 Ų19456.2 Ų56.284%0.84330%0.301SS*.G310 helixtrans-68.8-22.4-180-61.5178.2179.5175.90112D271 N275D271-K273 PolarHBondContact O-N 3.09Å; D271-K273 VanDerWaalsContact O-N 3.09Å; D271-K273 VanDerWaalsContact OD1-CB 3.32Å; D271-K273 WeakPolarHBondContact OD1-CB 3.3Å; D271-K273 PolarHBondContact OD1-N 3.23Å; K273-N275 VanDerWaalsContact C-N 3.3Å
274R89.4Confident82.2Confident101 Ų10161.1 Ų61.138%0.38134%0.336SS..G310 helixtrans-71.3-27173.4-67.817361.5-173-2112.3A268 D271 P272 F296A268-R274 HydrophobicContact CB-CB 3.82Å; D271-R274 HydrophobicContact CB-CG 4.35Å; D271-R274 PolarHBondContact O-N 2.85Å; D271-R274 WeakPolarHBondContact OD2-CG 3.35Å; P272-R274 PolarHBondContact O-N 2.83Å; R274-F296 WeakPolarHBondContact O-CB 3.47Å
275N90.1Very high80.6Confident10 Ų1069.3 Ų69.35%0.05337%0.372CS..SBendtrans-72.2145.8178.8-70.8-34.5000110.9L234 A268 P272 K273 K293 W294L234-N275 WeakPolarHBondContact CD2-ND2 3.34Å; A268-N275 PolarHBondContact N-OD1 3.32Å; A268-N275 PolarHBondContact O-ND2 3.12Å; P272-N275 WeakPolarHBondContact O-CB 3.26Å; P272-N275 PolarHBondContact O-N 2.65Å; P272-N275 VanDerWaalsContact O-N 3.12Å; K273-N275 VanDerWaalsContact C-N 3.3Å; N275-K293 HydrophobicContact CB-CB 4.08Å; N275-W294 CarbonylContact C-O 3.54Å; N275-W294 WeakPolarHBondContact CA-O 3.4Å; N275-W294 WeakPolarHBondContact CB-O 3.47Å
276K85.6Confident78.8Confident123 Ų12371.6 Ų71.654%0.53538%0.384SS..BIsolated β-bridgetrans-68.9136.1177.3-71.6175.2-176.51750109.3W294 F296K276-W294 HydrophobicContact CB-CB 4.1Å; K276-W294 PolarHBondContact N-O 2.75Å; K276-W294 WeakPolarHBondContact O-CB 3.13Å; K276-W294 PolarHBondContact O-N 3.1Å; K276-F296 VanDerWaalsContact CE-O 3.31Å; K276-F296 WeakPolarHBondContact CE-O 3.41Å; K276-F296 PolarHBondContact NZ-O 3.37Å
277Q84.3Confident77Confident105 Ų10575.4 Ų75.449%0.49141%0.409SS..  trans-131.9152.6174.9-155.2-179.711.100108.7A281 S291Q277-A281 VanDerWaalsContact CD-CB 3.46Å; Q277-A281 HydrophobicContact CG-CB 3.67Å; Q277-S291 PolarHBondContact NE2-O 2.98Å
278S74.5Confident75.4Confident42 Ų4284.2 Ų84.229%0.29445%0.448SS..  trans-63.2142.2173.7-174.30000110.1L280 A281 F290S278-L280 PolarHBondContact O-N 3.21Å; S278-L280 VanDerWaalsContact O-N 3.15Å; S278-L280 PolarHBondContact OG-N 3.34Å; S278-A281 WeakPolarHBondContact O-CB 3.41Å; S278-A281 PolarHBondContact O-N 3.09Å; S278-F290 WeakPolarHBondContact CB-O 3.19Å
279S64.5Low73.6Confident114 Ų11488.8 Ų88.880%0.79747%0.465SS*.THydrogen-bonded Turntrans-61.4-19.8172.551.70000112.8A281S279-A281 VanDerWaalsContact C-N 3.31Å
280L61.2Low71.9Confident91 Ų9191.6 Ų91.648%0.47648%0.478SS..THydrogen-bonded Turntrans-87.64.9177.1-58.4175.8000113.3S278 S282 A283 L286 F290S278-L280 PolarHBondContact O-N 3.21Å; S278-L280 VanDerWaalsContact O-N 3.15Å; S278-L280 PolarHBondContact OG-N 3.34Å; L280-S282 PolarHBondContact O-N 2.81Å; L280-A283 PolarHBondContact O-N 2.79Å; L280-L286 HydrophobicContact CB-CD1 3.67Å; L280-L286 HydrophobicContact CD1-CD1 4.43Å; L280-F290 HydrophobicContact CB-CD1 4Å; L280-F290 HydrophobicContact CD1-CD1 4.24Å; L280-F290 HydrophobicContact CD1-CE1 3.98Å
281A63.1Low71.1Confident24 Ų2489.7 Ų89.720%0.19848%0.475CS..THydrogen-bonded Turntrans-64-20-175.100000115.2Q277 S278 S279 F290Q277-A281 VanDerWaalsContact CD-CB 3.46Å; Q277-A281 HydrophobicContact CG-CB 3.67Å; S278-A281 WeakPolarHBondContact O-CB 3.41Å; S278-A281 PolarHBondContact O-N 3.09Å; S279-A281 VanDerWaalsContact C-N 3.31Å; A281-F290 VanDerWaalsContact CB-O 3.27Å; A281-F290 WeakPolarHBondContact CB-O 3.49Å
282S61Low70.7Confident113 Ų11386.9 Ų86.979%0.7946%0.461SS*.THydrogen-bonded Turntrans-82.7-9.3-179.850.80000113.9L280 S284L280-S282 PolarHBondContact O-N 2.81Å; S282-S284 PolarHBondContact O-N 2.87Å
283A63.4Low71.1Confident24 Ų2487.5 Ų87.520%0.19846%0.46CS..  trans-81111.1176.500000110.7L280 F285 L286L280-A283 PolarHBondContact O-N 2.79Å; A283-F285 HydrophobicContact CB-CD2 4.26Å; A283-F285 HydrophobicContact CB-CE1 4.14Å; A283-F285 HydrophobicContact CB-CE2 3.75Å; A283-F285 HydrophobicContact CB-CZ 3.69Å; A283-F285 PolarHBondContact O-N 2.84Å; A283-F285 VanDerWaalsContact O-N 3.14Å; A283-L286 HydrophobicContact CB-CD1 3.75Å; A283-L286 HydrophobicContact CB-CG 3.89Å; A283-L286 PolarHBondContact O-N 3.02Å
284S60.6Low71.4Confident121 Ų12181.1 Ų81.185%0.84643%0.431SS*.THydrogen-bonded Turntrans-65.9-12.6-176.950.70000115S282S282-S284 PolarHBondContact O-N 2.87Å
285F64.1Low71.6Confident173 Ų17376.8 Ų76.876%0.75942%0.416SS*.THydrogen-bonded Turntrans-98.71.3-178.742.3-93.8000113.8A283A283-F285 HydrophobicContact CB-CD2 4.26Å; A283-F285 HydrophobicContact CB-CE1 4.14Å; A283-F285 HydrophobicContact CB-CE2 3.75Å; A283-F285 HydrophobicContact CB-CZ 3.69Å; A283-F285 PolarHBondContact O-N 2.84Å; A283-F285 VanDerWaalsContact O-N 3.14Å
286L59.8Low71.9Confident58 Ų5876.7 Ų76.730%0.30442%0.415SS..SBendtrans-93152.2179.3-69.1-178.9000112.6L280 A283 F290L280-L286 HydrophobicContact CB-CD1 3.67Å; L280-L286 HydrophobicContact CD1-CD1 4.43Å; A283-L286 HydrophobicContact CB-CD1 3.75Å; A283-L286 HydrophobicContact CB-CG 3.89Å; A283-L286 PolarHBondContact O-N 3.02Å; L286-F290 HydrophobicContact CB-CB 4.16Å; L286-F290 HydrophobicContact CB-CD2 3.86Å; L286-F290 HydrophobicContact CB-CG 4.14Å; L286-F290 HydrophobicContact CD1-CB 4.36Å; L286-F290 HydrophobicContact CD1-CD1 4.27Å; L286-F290 HydrophobicContact CD1-CD2 4.32Å; L286-F290 HydrophobicContact CD1-CG 4.05Å
287P60.5Low72.4Confident82 Ų8270.9 Ų70.953%0.53239%0.39SS..  trans-51.3144.5174.5-26.933.1000112.6Y289 F290P287-Y289 PolarHBondContact O-N 2.97Å; P287-F290 HydrophobicContact CB-CD2 4.28Å; P287-F290 HydrophobicContact CG-CD2 4.35Å; P287-F290 HydrophobicContact CG-CE2 4.28Å; P287-F290 PolarHBondContact O-N 2.87Å
288K64.5Low73Confident184 Ų18471.9 Ų71.980%0.839%0.393SS*.THydrogen-bonded Turntrans-50.9-19178.1-70.6-174.8177.9179.90114.5F290 S291 S292K288-F290 VanDerWaalsContact C-N 3.29Å; K288-F290 PolarHBondContact O-N 2.95Å; K288-S291 PolarHBondContact O-N 2.79Å; K288-S291 PolarHBondContact O-OG 2.85Å; K288-S292 PolarHBondContact O-N 2.98Å; K288-S292 PolarHBondContact O-OG 3.44Å
289Y57.5Low74Confident96 Ų9670.5 Ų70.538%0.37638%0.381SS..THydrogen-bonded Turntrans-57.1-38.8170.7179.3-98000113.1P287 S291 S292 W294P287-Y289 PolarHBondContact O-N 2.97Å; Y289-S291 VanDerWaalsContact C-N 3.3Å; Y289-S291 PolarHBondContact O-N 3.48Å; Y289-S292 WeakPolarHBondContact CA-OG 3.42Å; Y289-S292 WeakPolarHBondContact O-CB 3.45Å; Y289-S292 PolarHBondContact O-N 3.36Å; Y289-S292 VanDerWaalsContact O-N 3.14Å; Y289-S292 PolarHBondContact O-OG 2.83Å; Y289-S292 VanDerWaalsContact O-OG 3.08Å; Y289-W294 HydrophobicContact CE1-CZ2 4.48Å; Y289-W294 HydrophobicContact CE2-CH2 4.1Å; Y289-W294 AromaticContact CE2-CZ2 3.63Å; Y289-W294 HydrophobicContact CE2-CZ2 3.63Å; Y289-W294 AromaticContact CZ-CZ2 3.54Å; Y289-W294 WeakPolarHBondContact OH-CH2 3.46Å; Y289-W294 WeakPolarHBondContact OH-CZ2 3.18Å
290F59.5Low75.4Confident60 Ų6070.3 Ų70.326%0.26337%0.368SS..THydrogen-bonded Turntrans-70.1-26.1-178-73.2-85.5000113S278 L280 A281 L286 P287 K288 S292S278-F290 WeakPolarHBondContact CB-O 3.19Å; L280-F290 HydrophobicContact CB-CD1 4Å; L280-F290 HydrophobicContact CD1-CD1 4.24Å; L280-F290 HydrophobicContact CD1-CE1 3.98Å; A281-F290 VanDerWaalsContact CB-O 3.27Å; A281-F290 WeakPolarHBondContact CB-O 3.49Å; L286-F290 HydrophobicContact CB-CB 4.16Å; L286-F290 HydrophobicContact CB-CD2 3.86Å; L286-F290 HydrophobicContact CB-CG 4.14Å; L286-F290 HydrophobicContact CD1-CB 4.36Å; L286-F290 HydrophobicContact CD1-CD1 4.27Å; L286-F290 HydrophobicContact CD1-CD2 4.32Å; L286-F290 HydrophobicContact CD1-CG 4.05Å; P287-F290 HydrophobicContact CB-CD2 4.28Å; P287-F290 HydrophobicContact CG-CD2 4.35Å; P287-F290 HydrophobicContact CG-CE2 4.28Å; P287-F290 PolarHBondContact O-N 2.87Å; K288-F290 VanDerWaalsContact C-N 3.29Å; K288-F290 PolarHBondContact O-N 2.95Å; F290-S292 VanDerWaalsContact C-N 3.34Å
291S73Confident76.9Confident59 Ų5966 Ų6641%0.41335%0.345SS..THydrogen-bonded Turntrans-88.21.7173.859.50000113.9Q277 K288 Y289Q277-S291 PolarHBondContact NE2-O 2.98Å; K288-S291 PolarHBondContact O-N 2.79Å; K288-S291 PolarHBondContact O-OG 2.85Å; Y289-S291 VanDerWaalsContact C-N 3.3Å; Y289-S291 PolarHBondContact O-N 3.48Å
292S80.9Confident78.1Confident12 Ų1268.5 Ų68.58%0.08436%0.36CS..  trans-68144.2-178.4-63.90000113.2R235 K288 Y289 F290 W294R235-S292 PolarHBondContact NE-OG 2.8Å; R235-S292 PolarHBondContact NH2-OG 2.86Å; K288-S292 PolarHBondContact O-N 2.98Å; K288-S292 PolarHBondContact O-OG 3.44Å; Y289-S292 WeakPolarHBondContact CA-OG 3.42Å; Y289-S292 WeakPolarHBondContact O-CB 3.45Å; Y289-S292 PolarHBondContact O-N 3.36Å; Y289-S292 VanDerWaalsContact O-N 3.14Å; Y289-S292 PolarHBondContact O-OG 2.83Å; Y289-S292 VanDerWaalsContact O-OG 3.08Å; F290-S292 VanDerWaalsContact C-N 3.34Å; S292-W294 VanDerWaalsContact O-CD1 3.26Å
293K88.8Confident79.3Confident52 Ų5265.1 Ų65.123%0.22634%0.336CS..EExtended strand (participates in β ladder)trans-97.3122.1179.5-63.2172.8-174.1172.30110.6L234 R235 P272 N275L234-K293 HydrophobicContact CD2-CB 4.26Å; R235-K293 PolarHBondContact N-O 3.14Å; P272-K293 HydrophobicContact CB-CD 3.58Å; P272-K293 VanDerWaalsContact CB-CE 3.46Å; N275-K293 HydrophobicContact CB-CB 4.08Å
294W92.6Very high80.6Confident59 Ų5968 Ų6822%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-107.8159-176.4-61.877.2000111.5R235 N275 K276 Y289 S292 F296R235-W294 HydrophobicContact CB-CD2 4.24Å; R235-W294 VanDerWaalsContact CD-CE2 3.42Å; R235-W294 HydrophobicContact CG-CD2 4.07Å; R235-W294 HydrophobicContact CG-CE3 4.11Å; R235-W294 HydrophobicContact CG-CH2 3.94Å; R235-W294 HydrophobicContact CG-CZ2 3.87Å; R235-W294 HydrophobicContact CG-CZ3 4.07Å; N275-W294 CarbonylContact C-O 3.54Å; N275-W294 WeakPolarHBondContact CA-O 3.4Å; N275-W294 WeakPolarHBondContact CB-O 3.47Å; K276-W294 HydrophobicContact CB-CB 4.1Å; K276-W294 PolarHBondContact N-O 2.75Å; K276-W294 WeakPolarHBondContact O-CB 3.13Å; K276-W294 PolarHBondContact O-N 3.1Å; Y289-W294 HydrophobicContact CE1-CZ2 4.48Å; Y289-W294 HydrophobicContact CE2-CH2 4.1Å; Y289-W294 AromaticContact CE2-CZ2 3.63Å; Y289-W294 HydrophobicContact CE2-CZ2 3.63Å; Y289-W294 AromaticContact CZ-CZ2 3.54Å; Y289-W294 WeakPolarHBondContact OH-CH2 3.46Å; Y289-W294 WeakPolarHBondContact OH-CZ2 3.18Å; S292-W294 VanDerWaalsContact O-CD1 3.26Å; W294-F296 PolarHBondContact O-N 2.67Å
295S94.5Very high82.1Confident10 Ų1062.6 Ų62.67%0.0731%0.31CS..  trans-54.7130.5177.1590000111H265 I266 F267 S297H265-S295 PolarHBondContact ND1-OG 3.46Å; I266-S295 CarbonylContact O-C 3.51Å; I266-S295 VanDerWaalsContact O-CA 3.3Å; I266-S295 WeakPolarHBondContact O-CA 3.3Å; I266-S295 VanDerWaalsContact O-CB 3.24Å; I266-S295 WeakPolarHBondContact O-CB 3.49Å; F267-S295 VanDerWaalsContact CD1-CA 3.43Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 WeakPolarHBondContact CB-O 3.46Å
296F95.6Very high83.5Confident8 Ų856 Ų564%0.03529%0.285CS..SBendtrans-71.9-29.5176.268.1-96.8000111.4L254 I266 A268 R274 K276 W294 F332 G336L254-F296 HydrophobicContact CD2-CE1 3.83Å; L254-F296 HydrophobicContact CD2-CZ 4.06Å; I266-F296 HydrophobicContact CB-CE1 4.44Å; I266-F296 HydrophobicContact CB-CZ 4.17Å; I266-F296 HydrophobicContact CG2-CE1 3.87Å; I266-F296 HydrophobicContact CG2-CE2 4.31Å; I266-F296 HydrophobicContact CG2-CZ 3.51Å; I266-F296 WeakPolarHBondContact O-CD1 3.36Å; I266-F296 PolarHBondContact O-N 3.33Å; I266-F296 VanDerWaalsContact O-N 3.14Å; A268-F296 HydrophobicContact CB-CD1 4.34Å; A268-F296 HydrophobicContact CB-CE1 4.34Å; R274-F296 WeakPolarHBondContact O-CB 3.47Å; K276-F296 VanDerWaalsContact CE-O 3.31Å; K276-F296 WeakPolarHBondContact CE-O 3.41Å; K276-F296 PolarHBondContact NZ-O 3.37Å; W294-F296 PolarHBondContact O-N 2.67Å; F296-F332 AromaticContact CE2-CD2 3.9Å; F296-F332 HydrophobicContact CE2-CD2 3.9Å; F296-F332 HydrophobicContact CE2-CE2 4.1Å; F296-F332 HydrophobicContact CZ-CD2 4.24Å; F296-F332 HydrophobicContact CZ-CE2 4Å; F296-G336 VanDerWaalsContact O-CA 3.29Å; F296-G336 WeakPolarHBondContact O-CA 3.27Å
297S96.5Very high85.3Confident2 Ų253.3 Ų53.31%0.01427%0.271CS..EExtended strand (participates in β ladder)trans-134.7151.2178.2-168.60000111.2I266 S295 G336 C338I266-S297 PolarHBondContact N-O 2.94Å; I266-S297 PolarHBondContact O-N 3.29Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 WeakPolarHBondContact CB-O 3.46Å; S297-G336 WeakPolarHBondContact CB-O 3.48Å; S297-G336 PolarHBondContact OG-O 3.02Å; S297-C338 PolarHBondContact OG-SG 3.26Å
298K96.1Very high87.1Confident125 Ų12549.7 Ų49.754%0.54325%0.247SC..EExtended strand (participates in β ladder)trans-155.7152.917267.3176.9-174.8174.20110V264V264-K298 CarbonylContact O-C 3.56Å; V264-K298 WeakPolarHBondContact O-CA 3.33Å; V264-K298 WeakPolarHBondContact O-CB 2.95Å
299F95.7Very high88.7Confident13 Ų1340.9 Ų40.96%0.05721%0.209CC..EExtended strand (participates in β ladder)trans-136.3161.3169.160-90.2000110.3T263 V264 I266 V301 V318 A320 F330 C338T263-F299 CarbonylContact C-O 3.58Å; T263-F299 VanDerWaalsContact CA-O 3.28Å; T263-F299 WeakPolarHBondContact CA-O 3.33Å; V264-F299 HydrophobicContact CB-CD1 4.28Å; V264-F299 HydrophobicContact CB-CD2 4.28Å; V264-F299 HydrophobicContact CB-CE1 3.75Å; V264-F299 HydrophobicContact CB-CE2 3.75Å; V264-F299 HydrophobicContact CB-CZ 3.46Å; V264-F299 VanDerWaalsContact CB-CZ 3.46Å; V264-F299 HydrophobicContact CG1-CE1 3.9Å; V264-F299 HydrophobicContact CG1-CZ 3.78Å; V264-F299 HydrophobicContact CG2-CD2 4.44Å; V264-F299 HydrophobicContact CG2-CE2 3.68Å; V264-F299 HydrophobicContact CG2-CZ 3.73Å; V264-F299 PolarHBondContact N-O 2.77Å; V264-F299 PolarHBondContact O-N 3.44Å; I266-F299 HydrophobicContact CD1-CE1 4.5Å; F299-V301 HydrophobicContact CE2-CG1 4.25Å; F299-V318 HydrophobicContact CE1-CB 3.92Å; F299-V318 HydrophobicContact CE1-CG1 3.85Å; F299-V318 HydrophobicContact CZ-CB 4.21Å; F299-V318 HydrophobicContact CZ-CG1 3.8Å; F299-A320 HydrophobicContact CE2-CB 4.31Å; F299-F330 HydrophobicContact CB-CD1 4.01Å; F299-F330 HydrophobicContact CB-CE1 4.11Å; F299-F330 HydrophobicContact CB-CG 4.43Å; F299-F330 HydrophobicContact CD1-CB 4.01Å; F299-F330 HydrophobicContact CD1-CD1 4.47Å; F299-F330 HydrophobicContact CD1-CG 4.13Å; F299-F330 HydrophobicContact CD2-CB 4.41Å; F299-F330 HydrophobicContact CD2-CD1 4.04Å; F299-F330 AromaticContact CD2-CD2 3.49Å; F299-F330 HydrophobicContact CD2-CD2 3.49Å; F299-F330 VanDerWaalsContact CD2-CD2 3.49Å; F299-F330 HydrophobicContact CD2-CE1 4.11Å; F299-F330 AromaticContact CD2-CE2 3.57Å; F299-F330 HydrophobicContact CD2-CE2 3.57Å; F299-F330 AromaticContact CD2-CG 3.73Å; F299-F330 HydrophobicContact CD2-CG 3.73Å; F299-F330 AromaticContact CD2-CZ 3.89Å; F299-F330 HydrophobicContact CD2-CZ 3.89Å; F299-F330 HydrophobicContact CE1-CB 3.93Å; F299-F330 HydrophobicContact CE1-CD2 4.47Å; F299-F330 HydrophobicContact CE1-CG 4.28Å; F299-F330 HydrophobicContact CE2-CB 4.34Å; F299-F330 AromaticContact CE2-CD2 3.37Å; F299-F330 HydrophobicContact CE2-CD2 3.37Å; F299-F330 AromaticContact CE2-CE2 3.71Å; F299-F330 HydrophobicContact CE2-CE2 3.71Å; F299-F330 AromaticContact CE2-CG 3.89Å; F299-F330 HydrophobicContact CE2-CG 3.89Å; F299-F330 HydrophobicContact CE2-CZ 4.47Å; F299-F330 HydrophobicContact CG-CB 4.24Å; F299-F330 AromaticContact CG-CD1 3.93Å; F299-F330 HydrophobicContact CG-CD1 3.93Å; F299-F330 HydrophobicContact CG-CD2 4.11Å; F299-F330 HydrophobicContact CG-CE1 4.27Å; F299-F330 HydrophobicContact CG-CE2 4.42Å; F299-F330 AromaticContact CG-CG 3.84Å; F299-F330 HydrophobicContact CG-CG 3.84Å; F299-F330 HydrophobicContact CG-CZ 4.5Å; F299-F330 HydrophobicContact CZ-CB 4.09Å; F299-F330 AromaticContact CZ-CD2 3.89Å; F299-F330 HydrophobicContact CZ-CD2 3.89Å; F299-F330 HydrophobicContact CZ-CG 4.15Å; F299-C338 HydrophobicContact CB-CB 3.84Å; F299-C338 HydrophobicContact CD1-CB 4.5Å
300Q94.6Very high90.6Very high111 Ų11136.3 Ų36.352%0.51919%0.191SC..EExtended strand (participates in β ladder)trans-107.5132.8175.6-170.6172.1-1.800108.7G262 T263 N304G262-Q300 CarbonylContact O-C 3.58Å; G262-Q300 VanDerWaalsContact O-CA 3.3Å; G262-Q300 WeakPolarHBondContact O-CA 3.5Å; G262-Q300 VanDerWaalsContact O-CG 3.32Å; G262-Q300 WeakPolarHBondContact O-CG 3.48Å; T263-Q300 HydrophobicContact CG2-CB 4.15Å; T263-Q300 HydrophobicContact CG2-CG 4.25Å; Q300-N304 PolarHBondContact NE2-OD1 2.95Å
301V91.7Very high92.5Very high0 Ų034.2 Ų34.20%018%0.182CC..  trans-74.9127.2171.1-710000108.5G262 F299 S303 N304 A320 Y328G262-V301 WeakPolarHBondContact O-CG2 3.35Å; G262-V301 PolarHBondContact O-N 2.94Å; F299-V301 HydrophobicContact CE2-CG1 4.25Å; V301-S303 PolarHBondContact O-N 3.28Å; V301-S303 VanDerWaalsContact O-N 3.12Å; V301-N304 PolarHBondContact O-N 3.31Å; V301-A320 HydrophobicContact CG1-CB 3.87Å; V301-Y328 HydrophobicContact CB-CE2 4.46Å; V301-Y328 HydrophobicContact CG1-CD2 4.23Å
302P90.1Very high93.7Very high77 Ų7732.3 Ų32.350%0.517%0.171SC..THydrogen-bonded Turntrans-55.2-33.5-173.1-30.235.8000115.2N304 Y328P302-N304 VanDerWaalsContact C-N 3.3Å; P302-N304 PolarHBondContact O-N 2.89Å; P302-Y328 HydrophobicContact CG-CE1 3.98Å
303S86.3Confident94.4Very high42 Ų4236.9 Ų36.929%0.29420%0.199SC..THydrogen-bonded Turntrans-77.5-12.5179.854.70000114.3V301 S305 D324V301-S303 PolarHBondContact O-N 3.28Å; V301-S303 VanDerWaalsContact O-N 3.12Å; S303-S305 PolarHBondContact O-N 2.93Å; S303-D324 WeakPolarHBondContact CB-OD2 3.41Å; S303-D324 PolarHBondContact OG-OD2 3Å
304N89.3Confident94.7Very high84 Ų8438.1 Ų38.145%0.44921%0.205SC..  trans53.113.2-167.8-61.2-53.3000114.2Q300 V301 P302Q300-N304 PolarHBondContact NE2-OD1 2.95Å; V301-N304 PolarHBondContact O-N 3.31Å; P302-N304 VanDerWaalsContact C-N 3.3Å; P302-N304 PolarHBondContact O-N 2.89Å
305S92.5Very high94.8Very high7 Ų740.3 Ų40.35%0.04923%0.227CC..  trans-70.9147.6178.2-68.70000110.8H9 S303 C307H9-S305 PolarHBondContact CE1-OG 3.21Å; H9-S305 PolarHBondContact NE2-OG 3.11Å; S303-S305 PolarHBondContact O-N 2.93Å; S305-C307 PolarHBondContact O-N 3.12Å
306P94Very high94.9Very high36 Ų3643.2 Ų43.223%0.23424%0.242CC..  trans-49.6135.9170.3-27.535.8000111Y244 C322 A323Y244-P306 HydrophobicContact CD1-CB 4.48Å; Y244-P306 HydrophobicContact CD2-CB 3.94Å; Y244-P306 HydrophobicContact CE1-CB 4.12Å; Y244-P306 HydrophobicContact CE1-CG 4.47Å; Y244-P306 HydrophobicContact CE2-CB 3.49Å; Y244-P306 VanDerWaalsContact CE2-CB 3.49Å; Y244-P306 HydrophobicContact CE2-CG 3.88Å; Y244-P306 HydrophobicContact CG-CB 4.41Å; P306-C322 CarbonylContact O-C 3.57Å; P306-C322 WeakPolarHBondContact O-CA 3.36Å; P306-A323 HydrophobicContact CB-CB 4.41Å; P306-A323 PolarHBondContact O-N 2.88Å
307C96.9Very high95Very high1 Ų142.9 Ų42.91%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-138.6149179.161.70000112.5Y244 S258 S305 A320 I321 C322Y244-C307 WeakPolarHBondContact CB-O 3.32Å; S258-C307 WeakPolarHBondContact CB-O 3.18Å; S258-C307 PolarHBondContact OG-O 2.77Å; S305-C307 PolarHBondContact O-N 3.12Å; C307-A320 HydrophobicContact CB-CB 4.39Å; C307-I321 CarbonylContact C-O 3.59Å; C307-I321 WeakPolarHBondContact CA-O 3.46Å; C307-I321 VanDerWaalsContact CB-O 3.28Å; C307-I321 WeakPolarHBondContact CB-O 3.27Å; C307-C322 HydrophobicContact CB-CB 4.37Å; C307-C322 VanDerWaalsContact CB-SG 3.57Å
308V97.9Very high95.1Very high5 Ų542.8 Ų42.83%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-88.5149.5158.4-66.30000109.1M1 F18 C245 A320 I321M1-V308 HydrophobicContact CB-CG1 3.73Å; M1-V308 HydrophobicContact CG-CG1 3.87Å; M1-V308 VanDerWaalsContact N-CG1 3.29Å; F18-V308 HydrophobicContact CD2-CB 4.41Å; F18-V308 HydrophobicContact CD2-CG2 4.25Å; F18-V308 HydrophobicContact CE2-CB 3.9Å; F18-V308 HydrophobicContact CE2-CG2 3.64Å; F18-V308 HydrophobicContact CZ-CG2 4.19Å; C245-V308 HydrophobicContact CB-CB 4.15Å; C245-V308 HydrophobicContact CB-CG1 4.19Å; V308-A320 WeakPolarHBondContact O-CA 3.43Å; V308-I321 HydrophobicContact CG2-CB 3.82Å; V308-I321 HydrophobicContact CG2-CD1 4.49Å; V308-I321 HydrophobicContact CG2-CG2 4.49Å; V308-I321 PolarHBondContact N-O 2.79Å; V308-I321 PolarHBondContact O-N 2.93Å
309C98.5Very high95.2Very high0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-131.8148.8179.259.40000112.3C245 N247 C256 V264 V318 I319C245-C309 PolarHBondContact SG-O 2.84Å; C245-C309 VanDerWaalsContact SG-O 3.41Å; N247-C309 PolarHBondContact ND2-O 2.84Å; C256-C309 VanDerWaalsContact SG-SG 3.62Å; V264-C309 HydrophobicContact CG1-CB 3.92Å; V264-C309 HydrophobicContact CG2-CB 4.38Å; C309-V318 HydrophobicContact CB-CG1 4.4Å; C309-I319 WeakPolarHBondContact CA-O 3.47Å; C309-I319 WeakPolarHBondContact CB-O 3.32Å
310S98.4Very high95.3Very high0 Ų036.2 Ų36.20%021%0.211CC..EExtended strand (participates in β ladder)trans-148.6167.9173650000109.8F18 V318 I319F18-S310 VanDerWaalsContact CE1-OG 3.23Å; F18-S310 WeakPolarHBondContact CE1-OG 3.29Å; F18-S310 WeakPolarHBondContact CZ-OG 3.37Å; S310-V318 CarbonylContact O-C 3.59Å; S310-V318 WeakPolarHBondContact O-CA 3.47Å; S310-V318 WeakPolarHBondContact O-CG1 3.34Å; S310-I319 PolarHBondContact N-O 2.89Å; S310-I319 VanDerWaalsContact N-O 3.08Å; S310-I319 PolarHBondContact O-N 3.41Å
311F98.4Very high95.5Very high16 Ų1630.9 Ų30.97%0.0719%0.186CC..EExtended strand (participates in β ladder)trans-76.7144.5167.6-67.1-93000109.6N249 L254 C256 I266 S317 V318 F332N249-F311 HydrophobicContact CB-CB 4.12Å; N249-F311 HydrophobicContact CB-CD1 3.88Å; N249-F311 HydrophobicContact CB-CD2 3.41Å; N249-F311 VanDerWaalsContact CB-CD2 3.41Å; N249-F311 HydrophobicContact CB-CE1 4.14Å; N249-F311 HydrophobicContact CB-CE2 3.69Å; N249-F311 HydrophobicContact CB-CG 3.51Å; N249-F311 HydrophobicContact CB-CZ 4.05Å; N249-F311 VanDerWaalsContact N-CD2 3.33Å; N249-F311 VanDerWaalsContact N-CE2 3.34Å; L254-F311 HydrophobicContact CB-CE1 3.84Å; L254-F311 HydrophobicContact CB-CE2 4.28Å; L254-F311 HydrophobicContact CB-CZ 3.46Å; L254-F311 VanDerWaalsContact CB-CZ 3.46Å; L254-F311 HydrophobicContact CD1-CE1 3.82Å; L254-F311 HydrophobicContact CD1-CZ 4.32Å; C256-F311 HydrophobicContact CB-CE2 3.93Å; C256-F311 HydrophobicContact CB-CZ 4.06Å; I266-F311 HydrophobicContact CG2-CE1 4.23Å; I266-F311 HydrophobicContact CG2-CZ 4.26Å; F311-S317 WeakPolarHBondContact CA-O 3.38Å; F311-V318 HydrophobicContact CD1-CG2 3.91Å; F311-V318 HydrophobicContact CE1-CG2 3.9Å; F311-F332 HydrophobicContact CD1-CE1 4.31Å; F311-F332 HydrophobicContact CD1-CZ 4.47Å; F311-F332 HydrophobicContact CE1-CE1 4.15Å; F311-F332 HydrophobicContact CE1-CZ 4.09Å
312G97.4Very high95.8Very high18 Ų1830.9 Ų30.919%0.18619%0.186CC..  trans-81.1-169.4174.800000112.6E314 S317 I319G312-E314 VanDerWaalsContact C-N 3.29Å; G312-E314 PolarHBondContact O-N 2.8Å; G312-S317 VanDerWaalsContact CA-OG 3.23Å; G312-S317 WeakPolarHBondContact CA-OG 3.47Å; G312-S317 PolarHBondContact N-O 2.89Å; G312-S317 VanDerWaalsContact N-O 3.07Å; G312-S317 PolarHBondContact N-OG 2.95Å; G312-I319 VanDerWaalsContact CA-CD1 3.44Å
313T95.7Very high96.1Very high108 Ų10827.3 Ų27.366%0.66316%0.163SC*.SBendtrans-66.7-35.7177.9-58.80000111.5D39D39-T313 PolarHBondContact O-OG1 2.86Å; D39-T313 PolarHBondContact OD2-N 2.84Å
314E95.6Very high96.6Very high78 Ų7826.7 Ų26.736%0.36416%0.157SC..SBendtrans-79.7132.3173.4-71.6158-128.600110.7G312 N316 S317 K329 L331G312-E314 VanDerWaalsContact C-N 3.29Å; G312-E314 PolarHBondContact O-N 2.8Å; E314-N316 PolarHBondContact O-N 2.96Å; E314-S317 WeakPolarHBondContact O-CB 3.25Å; E314-S317 PolarHBondContact O-N 3.33Å; E314-S317 PolarHBondContact O-OG 3.28Å; E314-K329 IonicContact OE1-NZ 3.48Å; E314-K329 PolarHBondContact OE1-NZ 2.81Å; E314-L331 WeakPolarHBondContact OE2-CD2 3.43Å
315P94.9Very high96.9Very high106 Ų10622.7 Ų22.769%0.68814%0.135SC*.THydrogen-bonded Turntrans-58.9-23.5-177.7-26.134.1000115F332P315-F332 WeakPolarHBondContact O-CZ 3.36Å
316N96.8Very high97.2Very high71 Ų7122.5 Ų22.538%0.3813%0.134SC..THydrogen-bonded Turntrans-10022.7179.369-53.7000112.8E314 L331 F332E314-N316 PolarHBondContact O-N 2.96Å; N316-L331 CarbonylContact O-C 3.57Å; N316-L331 WeakPolarHBondContact O-CA 3.44Å; N316-F332 VanDerWaalsContact C-CD1 3.43Å; N316-F332 WeakPolarHBondContact CB-O 3.23Å; N316-F332 WeakPolarHBondContact O-CD1 3.45Å; N316-F332 WeakPolarHBondContact O-CE1 3.14Å; N316-F332 PolarHBondContact O-N 2.95Å
317S97.9Very high97.4Very high0 Ų020.8 Ų20.80%012%0.123CC..EExtended strand (participates in β ladder)trans-122144.5178.473.60000112.4F311 G312 E314 F330F311-S317 WeakPolarHBondContact CA-O 3.38Å; G312-S317 VanDerWaalsContact CA-OG 3.23Å; G312-S317 WeakPolarHBondContact CA-OG 3.47Å; G312-S317 PolarHBondContact N-O 2.89Å; G312-S317 VanDerWaalsContact N-O 3.07Å; G312-S317 PolarHBondContact N-OG 2.95Å; E314-S317 WeakPolarHBondContact O-CB 3.25Å; E314-S317 PolarHBondContact O-N 3.33Å; E314-S317 PolarHBondContact O-OG 3.28Å; S317-F330 CarbonylContact C-O 3.54Å; S317-F330 VanDerWaalsContact CA-O 3.29Å; S317-F330 WeakPolarHBondContact CA-O 3.45Å
318V98.4Very high97.4Very high0 Ų021.1 Ų21.10%012%0.124CC..EExtended strand (participates in β ladder)trans-128.2138.9171.91760000108.9C256 V264 I266 F299 C309 S310 F311 F330 F332C256-V318 HydrophobicContact CB-CG1 4.14Å; C256-V318 HydrophobicContact CB-CG2 4.47Å; V264-V318 HydrophobicContact CG1-CG1 4.02Å; I266-V318 HydrophobicContact CD1-CB 4.44Å; I266-V318 HydrophobicContact CD1-CG2 3.6Å; I266-V318 HydrophobicContact CG1-CG2 4.11Å; F299-V318 HydrophobicContact CE1-CB 3.92Å; F299-V318 HydrophobicContact CE1-CG1 3.85Å; F299-V318 HydrophobicContact CZ-CB 4.21Å; F299-V318 HydrophobicContact CZ-CG1 3.8Å; C309-V318 HydrophobicContact CB-CG1 4.4Å; S310-V318 CarbonylContact O-C 3.59Å; S310-V318 WeakPolarHBondContact O-CA 3.47Å; S310-V318 WeakPolarHBondContact O-CG1 3.34Å; F311-V318 HydrophobicContact CD1-CG2 3.91Å; F311-V318 HydrophobicContact CE1-CG2 3.9Å; V318-F330 PolarHBondContact N-O 2.8Å; V318-F330 PolarHBondContact O-N 2.8Å; V318-F332 HydrophobicContact CG2-CD1 3.97Å; V318-F332 HydrophobicContact CG2-CE1 3.75Å
319I98.6Very high97.4Very high0 Ų021.3 Ų21.30%012%0.124CC..EExtended strand (participates in β ladder)trans-109.5138.3-178.3-64.1172.7000108.5T38 D39 C309 S310 G312 I321 Y327 Y328 K329T38-I319 HydrophobicContact CG2-CB 4.48Å; T38-I319 HydrophobicContact CG2-CD1 3.53Å; T38-I319 HydrophobicContact CG2-CG2 4.03Å; D39-I319 HydrophobicContact CB-CD1 3.67Å; C309-I319 WeakPolarHBondContact CA-O 3.47Å; C309-I319 WeakPolarHBondContact CB-O 3.32Å; S310-I319 PolarHBondContact N-O 2.89Å; S310-I319 VanDerWaalsContact N-O 3.08Å; S310-I319 PolarHBondContact O-N 3.41Å; G312-I319 VanDerWaalsContact CA-CD1 3.44Å; I319-I321 HydrophobicContact CG2-CG1 4.27Å; I319-Y327 WeakPolarHBondContact CD1-OH 3.21Å; I319-Y327 HydrophobicContact CG2-CD2 4.01Å; I319-Y327 HydrophobicContact CG2-CE2 3.31Å; I319-Y328 CarbonylContact C-O 3.13Å; I319-Y328 VanDerWaalsContact CA-O 3.27Å; I319-Y328 WeakPolarHBondContact CA-O 3.43Å; I319-K329 HydrophobicContact CG1-CB 4.43Å; I319-K329 HydrophobicContact CG1-CG 4.31Å
320A98.2Very high97.4Very high0 Ų022.1 Ų22.10%013%0.128CC..EExtended strand (participates in β ladder)trans-126.1125.4174.100000109.8V264 F299 V301 C307 V308 Y328V264-A320 HydrophobicContact CG2-CB 4.47Å; F299-A320 HydrophobicContact CE2-CB 4.31Å; V301-A320 HydrophobicContact CG1-CB 3.87Å; C307-A320 HydrophobicContact CB-CB 4.39Å; V308-A320 WeakPolarHBondContact O-CA 3.43Å; A320-Y328 PolarHBondContact N-O 3.33Å; A320-Y328 PolarHBondContact O-N 3.28Å
321I98.2Very high97.4Very high0 Ų024 Ų240%014%0.137CC..EExtended strand (participates in β ladder)trans-113.4115.4177.1-58.4169.8000107.4A16 F18 F25 C307 V308 I319 Y327 F346A16-I321 HydrophobicContact CB-CG2 4.43Å; F18-I321 HydrophobicContact CD1-CD1 4.35Å; F18-I321 HydrophobicContact CE1-CD1 3.42Å; F18-I321 VanDerWaalsContact CE1-CD1 3.42Å; F18-I321 HydrophobicContact CE1-CG1 4.42Å; F18-I321 HydrophobicContact CE2-CD1 4.42Å; F18-I321 HydrophobicContact CZ-CD1 3.47Å; F18-I321 VanDerWaalsContact CZ-CD1 3.47Å; F18-I321 HydrophobicContact CZ-CG1 4.1Å; F25-I321 HydrophobicContact CB-CD1 3.76Å; F25-I321 HydrophobicContact CD1-CD1 3.35Å; F25-I321 HydrophobicContact CD2-CD1 3.63Å; F25-I321 HydrophobicContact CD2-CG2 4.42Å; F25-I321 HydrophobicContact CE1-CD1 3.69Å; F25-I321 HydrophobicContact CE1-CG1 4.48Å; F25-I321 HydrophobicContact CE2-CD1 3.94Å; F25-I321 HydrophobicContact CE2-CG2 4.22Å; F25-I321 HydrophobicContact CG-CD1 3.3Å; F25-I321 HydrophobicContact CZ-CD1 3.97Å; C307-I321 CarbonylContact C-O 3.59Å; C307-I321 WeakPolarHBondContact CA-O 3.46Å; C307-I321 VanDerWaalsContact CB-O 3.28Å; C307-I321 WeakPolarHBondContact CB-O 3.27Å; V308-I321 HydrophobicContact CG2-CB 3.82Å; V308-I321 HydrophobicContact CG2-CD1 4.49Å; V308-I321 HydrophobicContact CG2-CG2 4.49Å; V308-I321 PolarHBondContact N-O 2.79Å; V308-I321 PolarHBondContact O-N 2.93Å; I319-I321 HydrophobicContact CG2-CG1 4.27Å; I321-Y327 HydrophobicContact CG1-CD2 4.13Å; I321-F346 HydrophobicContact CG2-CD1 4.34Å; I321-F346 HydrophobicContact CG2-CE1 3.6Å; I321-F346 HydrophobicContact CG2-CZ 3.84Å
322C97.5Very high97.3Very high0 Ų023.9 Ų23.90%014%0.137CC..EExtended strand (participates in β ladder)trans-100153.5-169.7-67.20000112.5P306 C307 D324 G325 S326P306-C322 CarbonylContact O-C 3.57Å; P306-C322 WeakPolarHBondContact O-CA 3.36Å; C307-C322 HydrophobicContact CB-CB 4.37Å; C307-C322 VanDerWaalsContact CB-SG 3.57Å; C322-D324 WeakPolarHBondContact CB-OD1 3.34Å; C322-D324 PolarHBondContact O-N 2.76Å; C322-G325 PolarHBondContact O-N 2.9Å; C322-G325 VanDerWaalsContact O-N 3.16Å; C322-S326 PolarHBondContact N-O 3.45Å
323A96.6Very high97.2Very high1 Ų126 Ų261%0.00814%0.144CC..THydrogen-bonded Turntrans-63.3-22.7177.600000113.5M1 L3 N7 N11 P306 G325M1-A323 HydrophobicContact CE-CB 4.25Å; M1-A323 HydrophobicContact SD-CB 4.24Å; L3-A323 HydrophobicContact CD1-CB 3.81Å; L3-A323 HydrophobicContact CD2-CB 3.86Å; N7-A323 PolarHBondContact ND2-O 2.81Å; N11-A323 PolarHBondContact ND2-O 3.33Å; P306-A323 HydrophobicContact CB-CB 4.41Å; P306-A323 PolarHBondContact O-N 2.88Å; A323-G325 PolarHBondContact O-N 3.49Å
324D96.4Very high96.8Very high30 Ų3029.6 Ų29.616%0.1615%0.153CC..THydrogen-bonded Turntrans-75.4-8.8176.763.1-5.4000113.8N11 S303 C322 S326N11-D324 PolarHBondContact ND2-O 3.18Å; S303-D324 WeakPolarHBondContact CB-OD2 3.41Å; S303-D324 PolarHBondContact OG-OD2 3Å; C322-D324 WeakPolarHBondContact CB-OD1 3.34Å; C322-D324 PolarHBondContact O-N 2.76Å; D324-S326 WeakPolarHBondContact OD1-CB 3.29Å; D324-S326 PolarHBondContact OD1-N 2.82Å; D324-S326 PolarHBondContact OD1-OG 3.07Å; D324-S326 PolarHBondContact OD2-OG 2.92Å
325G96.8Very high96.3Very high0 Ų034 Ų340%017%0.171CC..SBendtrans97.61.6-174.400000113.7C322 A323 Q345 F346C322-G325 PolarHBondContact O-N 2.9Å; C322-G325 VanDerWaalsContact O-N 3.16Å; A323-G325 PolarHBondContact O-N 3.49Å; G325-Q345 CarbonylContact O-C 3.11Å; G325-Q345 WeakPolarHBondContact O-CA 3.17Å; G325-Q345 PolarHBondContact O-OE1 3.03Å; G325-F346 WeakPolarHBondContact O-CD1 3.1Å; G325-F346 WeakPolarHBondContact O-CE1 3.35Å; G325-F346 PolarHBondContact O-N 3.35Å
326S97.4Very high95.9Very high2 Ų229.5 Ų29.51%0.01414%0.144CC..EExtended strand (participates in β ladder)trans-80.1138.9176.4-54.20000111.9C322 D324 Y328 Q345C322-S326 PolarHBondContact N-O 3.45Å; D324-S326 WeakPolarHBondContact OD1-CB 3.29Å; D324-S326 PolarHBondContact OD1-N 2.82Å; D324-S326 PolarHBondContact OD1-OG 3.07Å; D324-S326 PolarHBondContact OD2-OG 2.92Å; S326-Y328 PolarHBondContact OG-OH 3Å; S326-Q345 PolarHBondContact OG-NE2 3.19Å
327Y98.1Very high95.7Very high1 Ų131.7 Ų31.70%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-113.5136.7167.2170.6-81.1000108.9F25 T38 L41 I319 I321 K329 V342 Y343 A344F25-Y327 HydrophobicContact CE1-CD2 4.45Å; T38-Y327 WeakPolarHBondContact O-CE2 3.14Å; T38-Y327 PolarHBondContact O-OH 3.32Å; L41-Y327 HydrophobicContact CB-CE1 4.29Å; L41-Y327 HydrophobicContact CB-CE2 4.34Å; L41-Y327 HydrophobicContact CD1-CD2 3.92Å; L41-Y327 HydrophobicContact CD1-CE2 4.12Å; L41-Y327 HydrophobicContact CD1-CG 4.38Å; L41-Y327 HydrophobicContact CD2-CD1 3.85Å; L41-Y327 HydrophobicContact CD2-CD2 4.12Å; L41-Y327 HydrophobicContact CD2-CE1 4.37Å; L41-Y327 HydrophobicContact CD2-CG 3.74Å; L41-Y327 HydrophobicContact CG-CD2 4.46Å; I319-Y327 WeakPolarHBondContact CD1-OH 3.21Å; I319-Y327 HydrophobicContact CG2-CD2 4.01Å; I319-Y327 HydrophobicContact CG2-CE2 3.31Å; I321-Y327 HydrophobicContact CG1-CD2 4.13Å; Y327-K329 HydrophobicContact CE1-CB 4.21Å; Y327-V342 HydrophobicContact CD1-CG1 4.35Å; Y327-V342 HydrophobicContact CE1-CB 4.25Å; Y327-V342 HydrophobicContact CE1-CG1 4.02Å; Y327-Y343 WeakPolarHBondContact O-CA 3.38Å; Y327-A344 HydrophobicContact CD1-CB 4.48Å; Y327-A344 PolarHBondContact N-O 3.08Å; Y327-A344 PolarHBondContact O-N 3.43Å
328Y97.9Very high95.6Very high8 Ų833.5 Ų33.53%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-132.8136.9174.1-56.7-87.6000111V301 P302 I319 A320 S326 F330 V342 Y343V301-Y328 HydrophobicContact CB-CE2 4.46Å; V301-Y328 HydrophobicContact CG1-CD2 4.23Å; P302-Y328 HydrophobicContact CG-CE1 3.98Å; I319-Y328 CarbonylContact C-O 3.13Å; I319-Y328 VanDerWaalsContact CA-O 3.27Å; I319-Y328 WeakPolarHBondContact CA-O 3.43Å; A320-Y328 PolarHBondContact N-O 3.33Å; A320-Y328 PolarHBondContact O-N 3.28Å; S326-Y328 PolarHBondContact OG-OH 3Å; Y328-F330 HydrophobicContact CD1-CE2 4.19Å; Y328-F330 HydrophobicContact CG-CE2 4.07Å; Y328-V342 WeakPolarHBondContact CA-O 3.38Å; Y328-Y343 AromaticContact CD1-CD2 3.75Å; Y328-Y343 HydrophobicContact CD1-CD2 3.75Å; Y328-Y343 AromaticContact CE1-CD2 3.27Å; Y328-Y343 HydrophobicContact CE1-CD2 3.27Å; Y328-Y343 AromaticContact CE1-CE2 3.8Å; Y328-Y343 HydrophobicContact CE1-CE2 3.8Å; Y328-Y343 HydrophobicContact CE1-CG 4.24Å; Y328-Y343 AromaticContact CZ-CD2 3.79Å; Y328-Y343 AromaticContact CZ-CE2 3.87Å
329K98.1Very high95.5Very high8 Ų836.8 Ų36.84%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-110.5125.9161.8-176.2176.1169176.60108.2D39 E314 I319 Y327 D341 V342D39-K329 IonicContact OD1-NZ 2.87Å; D39-K329 PolarHBondContact OD1-NZ 3.29Å; D39-K329 WeakPolarHBondContact OD2-CE 3.41Å; D39-K329 IonicContact OD2-NZ 3.22Å; D39-K329 PolarHBondContact OD2-NZ 2.95Å; E314-K329 IonicContact OE1-NZ 3.48Å; E314-K329 PolarHBondContact OE1-NZ 2.81Å; I319-K329 HydrophobicContact CG1-CB 4.43Å; I319-K329 HydrophobicContact CG1-CG 4.31Å; Y327-K329 HydrophobicContact CE1-CB 4.21Å; K329-D341 WeakPolarHBondContact CD-OD2 3.24Å; K329-D341 WeakPolarHBondContact CE-OD2 3.26Å; K329-D341 HydrophobicContact CG-CB 4.4Å; K329-D341 IonicContact NZ-OD2 3.56Å; K329-D341 PolarHBondContact O-N 3.39Å; K329-V342 HydrophobicContact CB-CB 3.78Å; K329-V342 HydrophobicContact CB-CG2 4.08Å; K329-V342 HydrophobicContact CD-CG2 4.17Å; K329-V342 PolarHBondContact N-O 2.86Å; K329-V342 PolarHBondContact O-N 3.38Å
330F98.1Very high95.4Very high18 Ų1843.4 Ų43.48%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-116.1132.8175-80-96.9000109.9F299 S317 V318 Y328 C338 S339 R340F299-F330 HydrophobicContact CB-CD1 4.01Å; F299-F330 HydrophobicContact CB-CE1 4.11Å; F299-F330 HydrophobicContact CB-CG 4.43Å; F299-F330 HydrophobicContact CD1-CB 4.01Å; F299-F330 HydrophobicContact CD1-CD1 4.47Å; F299-F330 HydrophobicContact CD1-CG 4.13Å; F299-F330 HydrophobicContact CD2-CB 4.41Å; F299-F330 HydrophobicContact CD2-CD1 4.04Å; F299-F330 AromaticContact CD2-CD2 3.49Å; F299-F330 HydrophobicContact CD2-CD2 3.49Å; F299-F330 VanDerWaalsContact CD2-CD2 3.49Å; F299-F330 HydrophobicContact CD2-CE1 4.11Å; F299-F330 AromaticContact CD2-CE2 3.57Å; F299-F330 HydrophobicContact CD2-CE2 3.57Å; F299-F330 AromaticContact CD2-CG 3.73Å; F299-F330 HydrophobicContact CD2-CG 3.73Å; F299-F330 AromaticContact CD2-CZ 3.89Å; F299-F330 HydrophobicContact CD2-CZ 3.89Å; F299-F330 HydrophobicContact CE1-CB 3.93Å; F299-F330 HydrophobicContact CE1-CD2 4.47Å; F299-F330 HydrophobicContact CE1-CG 4.28Å; F299-F330 HydrophobicContact CE2-CB 4.34Å; F299-F330 AromaticContact CE2-CD2 3.37Å; F299-F330 HydrophobicContact CE2-CD2 3.37Å; F299-F330 AromaticContact CE2-CE2 3.71Å; F299-F330 HydrophobicContact CE2-CE2 3.71Å; F299-F330 AromaticContact CE2-CG 3.89Å; F299-F330 HydrophobicContact CE2-CG 3.89Å; F299-F330 HydrophobicContact CE2-CZ 4.47Å; F299-F330 HydrophobicContact CG-CB 4.24Å; F299-F330 AromaticContact CG-CD1 3.93Å; F299-F330 HydrophobicContact CG-CD1 3.93Å; F299-F330 HydrophobicContact CG-CD2 4.11Å; F299-F330 HydrophobicContact CG-CE1 4.27Å; F299-F330 HydrophobicContact CG-CE2 4.42Å; F299-F330 AromaticContact CG-CG 3.84Å; F299-F330 HydrophobicContact CG-CG 3.84Å; F299-F330 HydrophobicContact CG-CZ 4.5Å; F299-F330 HydrophobicContact CZ-CB 4.09Å; F299-F330 AromaticContact CZ-CD2 3.89Å; F299-F330 HydrophobicContact CZ-CD2 3.89Å; F299-F330 HydrophobicContact CZ-CG 4.15Å; S317-F330 CarbonylContact C-O 3.54Å; S317-F330 VanDerWaalsContact CA-O 3.29Å; S317-F330 WeakPolarHBondContact CA-O 3.45Å; V318-F330 PolarHBondContact N-O 2.8Å; V318-F330 PolarHBondContact O-N 2.8Å; Y328-F330 HydrophobicContact CD1-CE2 4.19Å; Y328-F330 HydrophobicContact CG-CE2 4.07Å; F330-C338 HydrophobicContact CD1-CB 4.41Å; F330-S339 CarbonylContact C-O 3.51Å; F330-S339 VanDerWaalsContact CA-O 3.29Å; F330-S339 WeakPolarHBondContact CA-O 3.35Å; F330-R340 HydrophobicContact CD1-CB 4.01Å; F330-R340 HydrophobicContact CE1-CB 3.64Å; F330-R340 HydrophobicContact CE1-CG 4.27Å; F330-R340 HydrophobicContact CE2-CG 4.29Å; F330-R340 HydrophobicContact CZ-CB 3.93Å; F330-R340 HydrophobicContact CZ-CG 4.08Å
331L98.1Very high95.4Very high39 Ų3947.3 Ų47.320%0.20423%0.233CC..EExtended strand (participates in β ladder)trans-89139.7168.2-60.4173.4000109.1E314 N316 C338 S339 D341E314-L331 WeakPolarHBondContact OE2-CD2 3.43Å; N316-L331 CarbonylContact O-C 3.57Å; N316-L331 WeakPolarHBondContact O-CA 3.44Å; L331-C338 CarbonylContact O-C 3.53Å; L331-C338 VanDerWaalsContact O-CA 3.24Å; L331-C338 WeakPolarHBondContact O-CA 3.34Å; L331-S339 PolarHBondContact N-O 2.81Å; L331-S339 PolarHBondContact O-N 3.15Å; L331-D341 HydrophobicContact CD1-CB 4Å; L331-D341 HydrophobicContact CG-CB 3.83Å
332F97Very high95.4Very high14 Ų1449.8 Ų49.86%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-123.7154.2173.265.8-89.1000111L254 I266 F296 F311 P315 N316 V318 E337L254-F332 HydrophobicContact CD1-CE2 4.02Å; L254-F332 HydrophobicContact CD1-CZ 3.73Å; I266-F332 HydrophobicContact CD1-CB 3.92Å; I266-F332 HydrophobicContact CD1-CD1 3.48Å; I266-F332 VanDerWaalsContact CD1-CD1 3.48Å; I266-F332 HydrophobicContact CD1-CD2 4.3Å; I266-F332 HydrophobicContact CD1-CE1 4.01Å; I266-F332 HydrophobicContact CD1-CG 3.64Å; I266-F332 HydrophobicContact CG2-CZ 4.44Å; F296-F332 AromaticContact CE2-CD2 3.9Å; F296-F332 HydrophobicContact CE2-CD2 3.9Å; F296-F332 HydrophobicContact CE2-CE2 4.1Å; F296-F332 HydrophobicContact CZ-CD2 4.24Å; F296-F332 HydrophobicContact CZ-CE2 4Å; F311-F332 HydrophobicContact CD1-CE1 4.31Å; F311-F332 HydrophobicContact CD1-CZ 4.47Å; F311-F332 HydrophobicContact CE1-CE1 4.15Å; F311-F332 HydrophobicContact CE1-CZ 4.09Å; P315-F332 WeakPolarHBondContact O-CZ 3.36Å; N316-F332 VanDerWaalsContact C-CD1 3.43Å; N316-F332 WeakPolarHBondContact CB-O 3.23Å; N316-F332 WeakPolarHBondContact O-CD1 3.45Å; N316-F332 WeakPolarHBondContact O-CE1 3.14Å; N316-F332 PolarHBondContact O-N 2.95Å; V318-F332 HydrophobicContact CG2-CD1 3.97Å; V318-F332 HydrophobicContact CG2-CE1 3.75Å; F332-E337 VanDerWaalsContact CA-O 3.29Å; F332-E337 WeakPolarHBondContact CA-O 3.16Å
333N94.1Very high95.3Very high61 Ų6155.2 Ų55.233%0.32627%0.27SS..  trans-119.6175.6176.67320.3000112.4K335 G336 E337N333-K335 PolarHBondContact O-N 3.29Å; N333-K335 WeakPolarHBondContact OD1-CA 3.49Å; N333-K335 WeakPolarHBondContact OD1-CB 3.11Å; N333-K335 PolarHBondContact OD1-N 3.12Å; N333-G336 PolarHBondContact O-N 3.38Å; N333-G336 PolarHBondContact OD1-N 3.15Å; N333-G336 VanDerWaalsContact OD1-N 3.07Å; N333-E337 PolarHBondContact N-O 3.14Å; N333-E337 PolarHBondContact ND2-OE2 3.46Å; N333-E337 PolarHBondContact OD1-N 3.02Å; N333-E337 VanDerWaalsContact OD1-N 3.08Å
334Q87.2Confident95.4Very high184 Ų18456.1 Ų56.186%0.8628%0.277SS*.THydrogen-bonded Turntrans-65-23.8-180-64.8-176.50.400113.5G336Q334-G336 PolarHBondContact O-N 3.04Å
335K86.9Confident95.4Very high170 Ų17056.9 Ų56.974%0.73928%0.28SS*.THydrogen-bonded Turntrans-78-8.3175.3-59.9-178.4-179.3178.10112.5N333N333-K335 PolarHBondContact O-N 3.29Å; N333-K335 WeakPolarHBondContact OD1-CA 3.49Å; N333-K335 WeakPolarHBondContact OD1-CB 3.11Å; N333-K335 PolarHBondContact OD1-N 3.12Å
336G85.8Confident95.4Very high12 Ų1256.9 Ų56.912%0.12428%0.28CS..  trans88.8617900000114.7F296 S297 N333 Q334F296-G336 VanDerWaalsContact O-CA 3.29Å; F296-G336 WeakPolarHBondContact O-CA 3.27Å; S297-G336 WeakPolarHBondContact CB-O 3.48Å; S297-G336 PolarHBondContact OG-O 3.02Å; N333-G336 PolarHBondContact O-N 3.38Å; N333-G336 PolarHBondContact OD1-N 3.15Å; N333-G336 VanDerWaalsContact OD1-N 3.07Å; Q334-G336 PolarHBondContact O-N 3.04Å
337E92.6Very high95.2Very high117 Ų11757.9 Ų57.955%0.54729%0.285SS..  trans-74.6141.8175.5-61.1163.7158.300109.8F332 N333F332-E337 VanDerWaalsContact CA-O 3.29Å; F332-E337 WeakPolarHBondContact CA-O 3.16Å; N333-E337 PolarHBondContact N-O 3.14Å; N333-E337 PolarHBondContact ND2-OE2 3.46Å; N333-E337 PolarHBondContact OD1-N 3.02Å; N333-E337 VanDerWaalsContact OD1-N 3.08Å
338C95.9Very high94.9Very high39 Ų3964.8 Ų64.826%0.26432%0.317SS..EExtended strand (participates in β ladder)trans-118.5142.7175.9-71.50000110.5S297 F299 F330 L331S297-C338 PolarHBondContact OG-SG 3.26Å; F299-C338 HydrophobicContact CB-CB 3.84Å; F299-C338 HydrophobicContact CD1-CB 4.5Å; F330-C338 HydrophobicContact CD1-CB 4.41Å; L331-C338 CarbonylContact O-C 3.53Å; L331-C338 VanDerWaalsContact O-CA 3.24Å; L331-C338 WeakPolarHBondContact O-CA 3.34Å
339S96.3Very high94.2Very high69 Ų6966.7 Ų66.748%0.48333%0.327SS..EExtended strand (participates in β ladder)trans-134.1141.9171.259.80000109.8F330 L331F330-S339 CarbonylContact C-O 3.51Å; F330-S339 VanDerWaalsContact CA-O 3.29Å; F330-S339 WeakPolarHBondContact CA-O 3.35Å; L331-S339 PolarHBondContact N-O 2.81Å; L331-S339 PolarHBondContact O-N 3.15Å
340R97.1Very high92.6Very high139 Ų13970.8 Ų70.853%0.52535%0.353SS..EExtended strand (participates in β ladder)trans-78.7125177.1-172.8-179.766.7-178.41.3108.9F330F330-R340 HydrophobicContact CD1-CB 4.01Å; F330-R340 HydrophobicContact CE1-CB 3.64Å; F330-R340 HydrophobicContact CE1-CG 4.27Å; F330-R340 HydrophobicContact CE2-CG 4.29Å; F330-R340 HydrophobicContact CZ-CB 3.93Å; F330-R340 HydrophobicContact CZ-CG 4.08Å
341D97.4Very high90.7Very high81 Ų8175.6 Ų75.643%0.43338%0.38SS..EExtended strand (participates in β ladder)trans-98.8-49.5179.4179.549.2000111K329 L331K329-D341 WeakPolarHBondContact CD-OD2 3.24Å; K329-D341 WeakPolarHBondContact CE-OD2 3.26Å; K329-D341 HydrophobicContact CG-CB 4.4Å; K329-D341 IonicContact NZ-OD2 3.56Å; K329-D341 PolarHBondContact O-N 3.39Å; L331-D341 HydrophobicContact CD1-CB 4Å; L331-D341 HydrophobicContact CG-CB 3.83Å
342V97.3Very high88.1Confident53 Ų5382.4 Ų82.432%0.32141%0.41SS..EExtended strand (participates in β ladder)trans-126144179.8-173.70000110.9Y327 Y328 K329Y327-V342 HydrophobicContact CD1-CG1 4.35Å; Y327-V342 HydrophobicContact CE1-CB 4.25Å; Y327-V342 HydrophobicContact CE1-CG1 4.02Å; Y328-V342 WeakPolarHBondContact CA-O 3.38Å; K329-V342 HydrophobicContact CB-CB 3.78Å; K329-V342 HydrophobicContact CB-CG2 4.08Å; K329-V342 HydrophobicContact CD-CG2 4.17Å; K329-V342 PolarHBondContact N-O 2.86Å; K329-V342 PolarHBondContact O-N 3.38Å
343Y97.2Very high85.1Confident113 Ų11390.2 Ų90.244%0.44344%0.444SS..EExtended strand (participates in β ladder)trans-136137165.3164.4-106.1000109.4Y327 Y328 Q345Y327-Y343 WeakPolarHBondContact O-CA 3.38Å; Y328-Y343 AromaticContact CD1-CD2 3.75Å; Y328-Y343 HydrophobicContact CD1-CD2 3.75Å; Y328-Y343 AromaticContact CE1-CD2 3.27Å; Y328-Y343 HydrophobicContact CE1-CD2 3.27Å; Y328-Y343 AromaticContact CE1-CE2 3.8Å; Y328-Y343 HydrophobicContact CE1-CE2 3.8Å; Y328-Y343 HydrophobicContact CE1-CG 4.24Å; Y328-Y343 AromaticContact CZ-CD2 3.79Å; Y328-Y343 AromaticContact CZ-CE2 3.87Å; Y343-Q345 PolarHBondContact OH-NE2 3.07Å
344A97.2Very high82.4Confident21 Ų2196.1 Ų96.117%0.17447%0.474CS..EExtended strand (participates in β ladder)trans-149.5153.6173.500000111L41 Y327L41-A344 HydrophobicContact CD2-CB 3.51Å; Y327-A344 HydrophobicContact CD1-CB 4.48Å; Y327-A344 PolarHBondContact N-O 3.08Å; Y327-A344 PolarHBondContact O-N 3.43Å
345Q97Very high82.1Confident45 Ų4591.8 Ų91.821%0.2146%0.455CS..EExtended strand (participates in β ladder)trans-9494.4163.8-73.7-62.3-29.700107.8G325 S326 Y343 L347 E348 M349G325-Q345 CarbonylContact O-C 3.11Å; G325-Q345 WeakPolarHBondContact O-CA 3.17Å; G325-Q345 PolarHBondContact O-OE1 3.03Å; S326-Q345 PolarHBondContact OG-NE2 3.19Å; Y343-Q345 PolarHBondContact OH-NE2 3.07Å; Q345-L347 PolarHBondContact O-N 2.83Å; Q345-E348 HydrophobicContact CB-CB 4.06Å; Q345-E348 HydrophobicContact CB-CG 4.06Å; Q345-E348 PolarHBondContact O-N 3.39Å; Q345-E348 VanDerWaalsContact O-N 3.08Å; Q345-M349 PolarHBondContact O-N 3.17Å
346F95.9Very high81.9Confident0 Ų087.6 Ų87.60%044%0.44CS..G310 helixtrans-68.4-24.8-167.567.4-97.1000112.7L13 F25 Y36 L41 I321 G325 E348 M349L13-F346 HydrophobicContact CD2-CZ 4.24Å; F25-F346 HydrophobicContact CE2-CD2 4Å; F25-F346 HydrophobicContact CE2-CE2 4.13Å; F25-F346 HydrophobicContact CE2-CG 4.34Å; F25-F346 HydrophobicContact CZ-CB 4.43Å; F25-F346 HydrophobicContact CZ-CD2 4.28Å; F25-F346 HydrophobicContact CZ-CG 4.22Å; Y36-F346 HydrophobicContact CD2-CD2 4.47Å; Y36-F346 HydrophobicContact CE1-CB 4.4Å; Y36-F346 HydrophobicContact CE1-CD2 4.43Å; Y36-F346 WeakPolarHBondContact CE1-O 3.49Å; Y36-F346 AromaticContact CE2-CD2 3.85Å; Y36-F346 HydrophobicContact CE2-CD2 3.85Å; Y36-F346 HydrophobicContact CE2-CE2 4.36Å; Y36-F346 AromaticContact CZ-CD2 3.86Å; Y36-F346 PolarHBondContact OH-O 3.45Å; L41-F346 HydrophobicContact CD1-CB 4.36Å; L41-F346 HydrophobicContact CD2-CB 4.19Å; I321-F346 HydrophobicContact CG2-CD1 4.34Å; I321-F346 HydrophobicContact CG2-CE1 3.6Å; I321-F346 HydrophobicContact CG2-CZ 3.84Å; G325-F346 WeakPolarHBondContact O-CD1 3.1Å; G325-F346 WeakPolarHBondContact O-CE1 3.35Å; G325-F346 PolarHBondContact O-N 3.35Å; F346-E348 VanDerWaalsContact C-N 3.29Å; F346-E348 PolarHBondContact O-N 2.89Å; F346-M349 HydrophobicContact CB-SD 4.33Å
347L93.8Very high81.7Confident24 Ų2491.8 Ų91.813%0.12646%0.457CS..G310 helixtrans-74.1-20.5175.8-65.2179.2000113.4N11 L13 M29 R34 Q345N11-L347 HydrophobicContact CB-CD1 4.09Å; L13-L347 HydrophobicContact CB-CD1 4.38Å; M29-L347 HydrophobicContact CE-CD1 4.35Å; M29-L347 HydrophobicContact CE-CD2 3.68Å; M29-L347 HydrophobicContact SD-CD2 4Å; R34-L347 PolarHBondContact NH1-O 2.85Å; Q345-L347 PolarHBondContact O-N 2.83Å
348E91.5Very high81Confident145 Ų14590.4 Ų90.468%0.67845%0.452SS*.G310 helixtrans-99.61-179.1-59.9-177.5176.500112.7Q345 F346 T350Q345-E348 HydrophobicContact CB-CB 4.06Å; Q345-E348 HydrophobicContact CB-CG 4.06Å; Q345-E348 PolarHBondContact O-N 3.39Å; Q345-E348 VanDerWaalsContact O-N 3.08Å; F346-E348 VanDerWaalsContact C-N 3.29Å; F346-E348 PolarHBondContact O-N 2.89Å; E348-T350 PolarHBondContact O-N 3.28Å
349M83.1Confident80.1Confident49 Ų4993.6 Ų93.624%0.24146%0.464CS..  trans-61.7126.8175.1-68.1-178.67800109.3L41 Q345 F346L41-M349 HydrophobicContact CD1-SD 4.35Å; L41-M349 HydrophobicContact CD2-CE 4.25Å; L41-M349 HydrophobicContact CD2-SD 3.52Å; L41-M349 VanDerWaalsContact CD2-SD 3.52Å; L41-M349 HydrophobicContact CG-CE 4.07Å; L41-M349 HydrophobicContact CG-SD 3.66Å; Q345-M349 PolarHBondContact O-N 3.17Å; F346-M349 HydrophobicContact CB-SD 4.33Å
350T65.4Low79Confident93 Ų9395.2 Ų95.257%0.57146%0.462SS*.  trans-112.4147.3169.345.10000107.1E348 E352 K353E348-T350 PolarHBondContact O-N 3.28Å; T350-E352 PolarHBondContact O-N 3.14Å; T350-K353 PolarHBondContact O-N 3.25Å
351D57.8Low77.7Confident120 Ų12092.1 Ų92.164%0.64246%0.458SS*.THydrogen-bonded Turntrans-57.3-12.7-177-74.3-40.3000114
352E43.4Very low76.2Confident181 Ų18192.9 Ų92.985%0.84646%0.46SS*.THydrogen-bonded Turntrans-87.40.7-174.7-62.9-166.9159.800115.6T350T350-E352 PolarHBondContact O-N 3.14Å
353K34.5Very low74.5Confident179 Ų17996.3 Ų96.378%0.77847%0.471SS*.  trans-12375.5175.7-70.9-173.9-179.2176.40112.1T350T350-K353 PolarHBondContact O-N 3.25Å
354I36.6Very low72.4Confident185 Ų18594.7 Ų94.795%0.94947%0.474SS*.  trans-126.50157.7-61.7-178.4000108.2K42K42-I354 HydrophobicContact CD-CD1 3.91Å; K42-I354 HydrophobicContact CG-CD1 4.15Å

Retrieved 354 of 354 residues in 439 ms (Link to these results)

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