A0A087YMH1_POEFO Loading...

WD repeat domain phosphoinositide-interacting protein 3

AlphaFold DB (A0A6G0I068), UniProt , Accession A0A087YMH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 344 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
1M91.9Very high91.2Very high31 Ų3161.6 Ų61.615%0.15339%0.385CS..  0124.20174.8174.568.100108.8L3 Y15 A16 P296 V298 A313M1-L3 HydrophobicContact CE-CD1 3.99Å; M1-L3 HydrophobicContact CE-CD2 3.74Å; M1-L3 HydrophobicContact CE-CG 4.06Å; M1-L3 HydrophobicContact CG-CD2 3.7Å; M1-L3 HydrophobicContact CG-CG 4.16Å; M1-L3 HydrophobicContact SD-CD2 3.7Å; M1-Y15 WeakPolarHBondContact O-CA 3.22Å; M1-Y15 WeakPolarHBondContact O-CD2 3.46Å; M1-A16 PolarHBondContact N-O 2.81Å; M1-A16 PolarHBondContact O-N 3.18Å; M1-P296 HydrophobicContact SD-CB 3.59Å; M1-P296 VanDerWaalsContact SD-CB 3.59Å; M1-V298 HydrophobicContact CB-CG1 3.48Å; M1-V298 VanDerWaalsContact CB-CG1 3.48Å; M1-A313 HydrophobicContact CE-CB 3.7Å; M1-A313 HydrophobicContact SD-CB 4.35Å
2N91.4Very high91.6Very high79 Ų7957.7 Ų57.742%0.42237%0.365SS..BIsolated β-bridgetrans-96.6124.3175.3-175.6-12000108.2L4N2-L4 WeakPolarHBondContact OD1-CB 3.29Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.41Å; N2-L4 WeakPolarHBondContact OD1-CG 3.24Å; N2-L4 PolarHBondContact OD1-N 3.23Å
3L93.6Very high92.1Very high21 Ų2153.2 Ų53.211%0.1134%0.337CS..  trans-111.412.1-178.7-56.9173.3000112.3M1 S6 N7 L13 L14 A313M1-L3 HydrophobicContact CE-CD1 3.99Å; M1-L3 HydrophobicContact CE-CD2 3.74Å; M1-L3 HydrophobicContact CE-CG 4.06Å; M1-L3 HydrophobicContact CG-CD2 3.7Å; M1-L3 HydrophobicContact CG-CG 4.16Å; M1-L3 HydrophobicContact SD-CD2 3.7Å; L3-S6 CarbonylContact O-C 3.5Å; L3-S6 PolarHBondContact O-N 3.07Å; L3-N7 HydrophobicContact CB-CB 4.24Å; L3-N7 HydrophobicContact CD1-CB 4.23Å; L3-L13 HydrophobicContact CD1-CB 4.39Å; L3-L13 HydrophobicContact CD1-CD2 3.8Å; L3-L13 HydrophobicContact CD1-CG 3.85Å; L3-L14 WeakPolarHBondContact CA-O 3.16Å; L3-L14 WeakPolarHBondContact CB-O 3.45Å; L3-L14 PolarHBondContact N-O 3.23Å; L3-A313 HydrophobicContact CD1-CB 3.89Å; L3-A313 HydrophobicContact CD2-CB 3.78Å; L3-A313 HydrophobicContact CG-CB 4.5Å
4L89.9Confident92.5Very high66 Ų6649.4 Ų49.435%0.34631%0.313SS..  trans-65.7153.6178.2-67173.8000111.9N2 L14N2-L4 WeakPolarHBondContact OD1-CB 3.29Å; N2-L4 WeakPolarHBondContact OD1-CD1 3.41Å; N2-L4 WeakPolarHBondContact OD1-CG 3.24Å; N2-L4 PolarHBondContact OD1-N 3.23Å; L4-L14 HydrophobicContact CD2-CB 4.04Å; L4-L14 HydrophobicContact CD2-CD1 4.31Å; L4-L14 HydrophobicContact CD2-CD2 4.22Å; L4-L14 HydrophobicContact CD2-CG 4.43Å
5P84.4Confident92.9Very high95 Ų9547.2 Ų47.262%0.61730%0.296SS*.SBendcis-80-12.1-1.133.1-36000114G72P5-G72 WeakPolarHBondContact O-CA 3.29Å
6S84.2Confident93.2Very high51 Ų5144.3 Ų44.336%0.35728%0.278SS..  trans-157.4142.5178.159.50000111L3L3-S6 CarbonylContact O-C 3.5Å; L3-S6 PolarHBondContact O-N 3.07Å
7N91.9Very high93.5Very high12 Ų1242.1 Ų42.16%0.06427%0.266CS..  trans-81.6128.8175.3178.38.5000111.5L3 H9 G10 N11 L13 A313L3-N7 HydrophobicContact CB-CB 4.24Å; L3-N7 HydrophobicContact CD1-CB 4.23Å; N7-H9 PolarHBondContact O-N 2.83Å; N7-H9 VanDerWaalsContact O-N 3.08Å; N7-H9 PolarHBondContact OD1-CD2 3.28Å; N7-H9 VanDerWaalsContact OD1-CD2 3.3Å; N7-H9 PolarHBondContact OD1-N 3.3Å; N7-G10 PolarHBondContact O-N 3.21Å; N7-G10 VanDerWaalsContact O-N 3.16Å; N7-N11 PolarHBondContact ND2-OD1 3.42Å; N7-L13 WeakPolarHBondContact CB-O 3.15Å; N7-A313 PolarHBondContact ND2-O 3.31Å
8P91.2Very high93.8Very high122 Ų12241.1 Ų41.179%0.79226%0.257SS*.THydrogen-bonded Turntrans-59.2-20.8179.124.1-36.6000114.3G10P8-G10 VanDerWaalsContact C-N 3.31Å; P8-G10 PolarHBondContact O-N 3.23Å
9H94.9Very high94Very high84 Ų8439.2 Ų39.239%0.38925%0.245SC..THydrogen-bonded Turntrans-78.5-8.4-179.8-65.2-71.3000114.5N7 N11 S295N7-H9 PolarHBondContact O-N 2.83Å; N7-H9 VanDerWaalsContact O-N 3.08Å; N7-H9 PolarHBondContact OD1-CD2 3.28Å; N7-H9 VanDerWaalsContact OD1-CD2 3.3Å; N7-H9 PolarHBondContact OD1-N 3.3Å; H9-N11 PolarHBondContact O-N 2.79Å; H9-N11 VanDerWaalsContact O-N 3.13Å; H9-S295 PolarHBondContact CE1-OG 2.86Å; H9-S295 VanDerWaalsContact CE1-OG 3.27Å; H9-S295 PolarHBondContact NE2-OG 2.88Å; H9-S295 VanDerWaalsContact NE2-OG 3.09Å
10G94.4Very high94.1Very high73 Ų7338.6 Ų38.675%0.75324%0.239SC*.  trans64.717.3175.400000115.3N7 P8N7-G10 PolarHBondContact O-N 3.21Å; N7-G10 VanDerWaalsContact O-N 3.16Å; P8-G10 VanDerWaalsContact C-N 3.31Å; P8-G10 PolarHBondContact O-N 3.23Å
11N95.7Very high94.1Very high44 Ų4439.9 Ų39.924%0.23524%0.244CC..SBendtrans-93.110-177.964.910.3000113.7N7 H9 L13 A313 D314 G315 L337N7-N11 PolarHBondContact ND2-OD1 3.42Å; H9-N11 PolarHBondContact O-N 2.79Å; H9-N11 VanDerWaalsContact O-N 3.13Å; N11-L13 PolarHBondContact O-N 3Å; N11-L13 VanDerWaalsContact OD1-CB 3.26Å; N11-L13 WeakPolarHBondContact OD1-CB 2.99Å; N11-L13 PolarHBondContact OD1-N 3.3Å; N11-L13 VanDerWaalsContact OD1-N 3.07Å; N11-A313 PolarHBondContact ND2-O 2.9Å; N11-D314 PolarHBondContact ND2-O 2.81Å; N11-G315 PolarHBondContact ND2-N 2.76Å; N11-L337 HydrophobicContact CB-CD1 3.97Å
12G95.7Very high94.4Very high14 Ų1439.7 Ų39.714%0.14424%0.243CC..SBendtrans73.2-1.7179.900000115.9M29 E30G12-M29 CarbonylContact O-C 3.5Å; G12-M29 VanDerWaalsContact O-CA 3.26Å; G12-M29 WeakPolarHBondContact O-CA 3.2Å; G12-E30 PolarHBondContact O-N 3.23Å
13L97.7Very high94.7Very high0 Ų036.8 Ų36.80%023%0.232CC..EExtended strand (participates in β ladder)trans-72.9128.5177.1-175.468.7000110.6L3 N7 N11 Y15 C27 M29 F336 L337L3-L13 HydrophobicContact CD1-CB 4.39Å; L3-L13 HydrophobicContact CD1-CD2 3.8Å; L3-L13 HydrophobicContact CD1-CG 3.85Å; N7-L13 WeakPolarHBondContact CB-O 3.15Å; N11-L13 PolarHBondContact O-N 3Å; N11-L13 VanDerWaalsContact OD1-CB 3.26Å; N11-L13 WeakPolarHBondContact OD1-CB 2.99Å; N11-L13 PolarHBondContact OD1-N 3.3Å; N11-L13 VanDerWaalsContact OD1-N 3.07Å; L13-Y15 VanDerWaalsContact CD1-O 3.31Å; L13-Y15 WeakPolarHBondContact CD1-O 3.45Å; L13-C27 HydrophobicContact CD1-CB 3.58Å; L13-M29 HydrophobicContact CB-CE 4.41Å; L13-M29 HydrophobicContact CB-SD 4.31Å; L13-M29 HydrophobicContact CD1-SD 3.57Å; L13-M29 VanDerWaalsContact CD1-SD 3.57Å; L13-F336 HydrophobicContact CD2-CZ 4.21Å; L13-L337 HydrophobicContact CB-CD1 4.34Å
14L97.8Very high94.9Very high0 Ų036.1 Ų36.10%023%0.229CC..EExtended strand (participates in β ladder)trans-114.1-25.2-179.9-61.2177.9000113L3 L4 G28 E30L3-L14 WeakPolarHBondContact CA-O 3.16Å; L3-L14 WeakPolarHBondContact CB-O 3.45Å; L3-L14 PolarHBondContact N-O 3.23Å; L4-L14 HydrophobicContact CD2-CB 4.04Å; L4-L14 HydrophobicContact CD2-CD1 4.31Å; L4-L14 HydrophobicContact CD2-CD2 4.22Å; L4-L14 HydrophobicContact CD2-CG 4.43Å; L14-G28 PolarHBondContact N-O 3.14Å; L14-E30 HydrophobicContact CD1-CG 3.98Å; L14-E30 HydrophobicContact CD2-CG 3.76Å; L14-E30 HydrophobicContact CG-CG 3.93Å
15Y98.3Very high95.3Very high16 Ų1633 Ų336%0.06321%0.213CC..EExtended strand (participates in β ladder)trans-154.1146.7-179171.4-88.3000110M1 L13 C27 G28 G55 H56 V57M1-Y15 WeakPolarHBondContact O-CA 3.22Å; M1-Y15 WeakPolarHBondContact O-CD2 3.46Å; L13-Y15 VanDerWaalsContact CD1-O 3.31Å; L13-Y15 WeakPolarHBondContact CD1-O 3.45Å; Y15-C27 CarbonylContact O-C 3.51Å; Y15-C27 WeakPolarHBondContact O-CA 3.42Å; Y15-G28 PolarHBondContact N-O 3.22Å; Y15-G28 PolarHBondContact O-N 3.14Å; Y15-G55 VanDerWaalsContact CB-O 3.27Å; Y15-G55 WeakPolarHBondContact CB-O 3.46Å; Y15-H56 AromaticContact CD2-ND1 3.84Å; Y15-H56 AromaticContact CE2-CE1 3.66Å; Y15-H56 AromaticContact CE2-ND1 3.42Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.37Å; Y15-V57 HydrophobicContact CD1-CB 4.34Å; Y15-V57 HydrophobicContact CE1-CB 4.36Å; Y15-V57 WeakPolarHBondContact CE1-O 3.15Å; Y15-V57 PolarHBondContact OH-O 3.31Å
16A98.2Very high96Very high0 Ų028.5 Ų28.50%018%0.183CC..EExtended strand (participates in β ladder)trans-140.4130.8166.600000110.2M1 A26 I311M1-A16 PolarHBondContact N-O 2.81Å; M1-A16 PolarHBondContact O-N 3.18Å; A16-A26 WeakPolarHBondContact CA-O 3.42Å; A16-I311 HydrophobicContact CB-CG2 4.43Å
17G98.2Very high96.7Very high7 Ų726.1 Ų26.17%0.07217%0.166CC..EExtended strand (participates in β ladder)trans-152.3141-178.400000112.7F25 A26 M59G17-F25 CarbonylContact O-C 3.51Å; G17-F25 VanDerWaalsContact O-CA 3.23Å; G17-F25 WeakPolarHBondContact O-CA 3.31Å; G17-F25 WeakPolarHBondContact O-CB 3.15Å; G17-A26 PolarHBondContact N-O 2.99Å; G17-A26 PolarHBondContact O-N 3.17Å; G17-M59 WeakPolarHBondContact O-CE 3.42Å
18F98.5Very high97Very high24 Ų2425.5 Ų25.511%0.10516%0.163CC..EExtended strand (participates in β ladder)trans-73.9153.6172.9-68.5-73.7000111.2H22 C24 F25 T38 V298 A300 I311F18-H22 HydrophobicContact CB-CB 4.35Å; F18-H22 HydrophobicContact CD1-CB 4.09Å; F18-H22 HydrophobicContact CG-CB 4.28Å; F18-C24 WeakPolarHBondContact CA-O 3.37Å; F18-F25 HydrophobicContact CD1-CB 3.89Å; F18-F25 HydrophobicContact CE1-CB 4.21Å; F18-T38 HydrophobicContact CD1-CG2 4.46Å; F18-T38 HydrophobicContact CE1-CG2 3.78Å; F18-V298 HydrophobicContact CD2-CB 4.38Å; F18-V298 HydrophobicContact CD2-CG2 4.15Å; F18-V298 HydrophobicContact CE2-CB 3.93Å; F18-V298 HydrophobicContact CE2-CG2 3.59Å; F18-V298 HydrophobicContact CZ-CG2 4.23Å; F18-A300 HydrophobicContact CD1-CB 4.2Å; F18-A300 HydrophobicContact CD2-CB 3.85Å; F18-A300 HydrophobicContact CE1-CB 3.94Å; F18-A300 HydrophobicContact CE2-CB 3.56Å; F18-A300 HydrophobicContact CG-CB 4.16Å; F18-A300 HydrophobicContact CZ-CB 3.61Å; F18-I311 HydrophobicContact CD1-CD1 4.36Å; F18-I311 HydrophobicContact CE1-CD1 3.47Å; F18-I311 VanDerWaalsContact CE1-CD1 3.47Å; F18-I311 HydrophobicContact CE1-CG1 4.44Å; F18-I311 HydrophobicContact CE2-CD1 4.31Å; F18-I311 HydrophobicContact CZ-CD1 3.44Å; F18-I311 VanDerWaalsContact CZ-CD1 3.44Å; F18-I311 HydrophobicContact CZ-CG1 4.04Å
19N97.5Very high97.3Very high5 Ų520 Ų203%0.02713%0.127CC..  trans-74.8179162.473.7-23.7000110D21 H22 G23 C24 M59 F61N19-D21 VanDerWaalsContact C-N 3.29Å; N19-D21 PolarHBondContact ND2-OD1 2.81Å; N19-D21 PolarHBondContact O-N 3.04Å; N19-D21 PolarHBondContact OD1-OD1 3.29Å; N19-H22 PolarHBondContact O-N 3.34Å; N19-H22 VanDerWaalsContact OD1-CA 3.32Å; N19-H22 WeakPolarHBondContact OD1-CA 3.41Å; N19-H22 PolarHBondContact OD1-N 3.3Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; N19-G23 PolarHBondContact OD1-N 2.68Å; N19-C24 HydrophobicContact CB-CB 4.46Å; N19-C24 PolarHBondContact N-O 3.46Å; N19-C24 PolarHBondContact OD1-N 2.9Å; N19-C24 PolarHBondContact OD1-O 3.17Å; N19-M59 HydrophobicContact CB-CB 3.95Å; N19-M59 HydrophobicContact CB-CE 3.6Å; N19-M59 HydrophobicContact CB-SD 3.91Å; N19-F61 PolarHBondContact ND2-O 3.45Å
20Q95.8Very high97.4Very high28 Ų2820.1 Ų20.113%0.13113%0.128CC..THydrogen-bonded Turntrans-58.1-35.9-170-65.777.4-0.800113.8M59 F61 L107 P149 L195Q20-M59 PolarHBondContact NE2-O 2.77Å; Q20-M59 PolarHBondContact OE1-O 2.88Å; Q20-F61 HydrophobicContact CB-CD1 3.87Å; Q20-F61 HydrophobicContact CB-CE1 3.7Å; Q20-F61 HydrophobicContact CB-CG 4.47Å; Q20-F61 HydrophobicContact CB-CZ 4.19Å; Q20-F61 HydrophobicContact CG-CD1 4.41Å; Q20-F61 HydrophobicContact CG-CE1 4.34Å; Q20-F61 HydrophobicContact CG-CE2 4.48Å; Q20-F61 HydrophobicContact CG-CZ 4.42Å; Q20-L107 PolarHBondContact NE2-O 3.21Å; Q20-P149 HydrophobicContact CB-CB 3.71Å; Q20-P149 HydrophobicContact CB-CG 4.03Å; Q20-P149 HydrophobicContact CG-CB 3.55Å; Q20-P149 HydrophobicContact CG-CG 4.32Å; Q20-L195 WeakPolarHBondContact O-CD2 3.18Å
21D95.1Very high97.4Very high66 Ų6619.4 Ų19.435%0.35311%0.107SC..THydrogen-bonded Turntrans-101.94.4-179.866.4-0.7000113.6N19 G23 L195N19-D21 VanDerWaalsContact C-N 3.29Å; N19-D21 PolarHBondContact ND2-OD1 2.81Å; N19-D21 PolarHBondContact O-N 3.04Å; N19-D21 PolarHBondContact OD1-OD1 3.29Å; D21-G23 PolarHBondContact O-N 2.87Å; D21-G23 VanDerWaalsContact O-N 3.12Å; D21-G23 PolarHBondContact OD1-N 3.46Å; D21-L195 HydrophobicContact CB-CD2 4.49Å
22H97.9Very high97.5Very high26 Ų2617.3 Ų17.312%0.1210%0.096CC..SBendtrans61.17.4-174.7-35.4114.1000115.4F18 N19 C24 T38 N237 F238 A300F18-H22 HydrophobicContact CB-CB 4.35Å; F18-H22 HydrophobicContact CD1-CB 4.09Å; F18-H22 HydrophobicContact CG-CB 4.28Å; N19-H22 PolarHBondContact O-N 3.34Å; N19-H22 VanDerWaalsContact OD1-CA 3.32Å; N19-H22 WeakPolarHBondContact OD1-CA 3.41Å; N19-H22 PolarHBondContact OD1-N 3.3Å; N19-H22 VanDerWaalsContact OD1-N 3.11Å; H22-C24 PolarHBondContact O-N 3.39Å; H22-T38 WeakPolarHBondContact O-CB 3.43Å; H22-T38 WeakPolarHBondContact O-CG2 3.49Å; H22-T38 PolarHBondContact O-OG1 3.3Å; H22-N237 PolarHBondContact NE2-OD1 2.78Å; H22-N237 VanDerWaalsContact NE2-OD1 3.1Å; H22-F238 PolarHBondContact CE1-O 2.74Å; H22-A300 HydrophobicContact CB-CB 3.64Å
23G97.7Very high97.6Very high18 Ų1816.7 Ų16.719%0.1869%0.089CC..SBendtrans-71.1-18.317900000113.9N19 D21 T38 R62N19-G23 PolarHBondContact OD1-N 2.68Å; D21-G23 PolarHBondContact O-N 2.87Å; D21-G23 VanDerWaalsContact O-N 3.12Å; D21-G23 PolarHBondContact OD1-N 3.46Å; G23-T38 VanDerWaalsContact C-OG1 3.3Å; G23-T38 PolarHBondContact O-N 2.96Å; G23-T38 PolarHBondContact O-OG1 2.81Å; G23-R62 VanDerWaalsContact C-NH2 3.35Å; G23-R62 PolarHBondContact O-NH2 2.94Å
24C98.4Very high97.6Very high8 Ų818 Ų185%0.0549%0.094CC..EExtended strand (participates in β ladder)trans-133159.7171-63.70000111F18 N19 H22 V35 Y36 T38 M59 R62F18-C24 WeakPolarHBondContact CA-O 3.37Å; N19-C24 HydrophobicContact CB-CB 4.46Å; N19-C24 PolarHBondContact N-O 3.46Å; N19-C24 PolarHBondContact OD1-N 2.9Å; N19-C24 PolarHBondContact OD1-O 3.17Å; H22-C24 PolarHBondContact O-N 3.39Å; C24-V35 HydrophobicContact CB-CG1 4.48Å; C24-Y36 CarbonylContact C-O 3.54Å; C24-Y36 WeakPolarHBondContact CA-O 3.12Å; C24-Y36 VanDerWaalsContact CB-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 3.33Å; C24-T38 VanDerWaalsContact C-OG1 3.23Å; C24-T38 WeakPolarHBondContact CA-OG1 2.85Å; C24-T38 PolarHBondContact N-OG1 3.42Å; C24-M59 HydrophobicContact CB-SD 3.96Å; C24-R62 PolarHBondContact SG-NH1 2.99Å; C24-R62 VanDerWaalsContact SG-NH1 3.39Å
25F98.6Very high97.6Very high1 Ų118.8 Ų18.80%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-132.1148.5163.667.8-87.3000110.7G17 F18 Y36 L41 I311 Y317 F336G17-F25 CarbonylContact O-C 3.51Å; G17-F25 VanDerWaalsContact O-CA 3.23Å; G17-F25 WeakPolarHBondContact O-CA 3.31Å; G17-F25 WeakPolarHBondContact O-CB 3.15Å; F18-F25 HydrophobicContact CD1-CB 3.89Å; F18-F25 HydrophobicContact CE1-CB 4.21Å; F25-Y36 AromaticContact CD2-CD2 3.86Å; F25-Y36 HydrophobicContact CD2-CD2 3.86Å; F25-Y36 HydrophobicContact CD2-CG 4.41Å; F25-Y36 HydrophobicContact CE1-CD2 4.39Å; F25-Y36 HydrophobicContact CE1-CG 4Å; F25-Y36 AromaticContact CE2-CD2 3.26Å; F25-Y36 HydrophobicContact CE2-CD2 3.26Å; F25-Y36 AromaticContact CE2-CE2 3.99Å; F25-Y36 HydrophobicContact CE2-CE2 3.99Å; F25-Y36 AromaticContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CZ-CD1 4.22Å; F25-Y36 AromaticContact CZ-CD2 3.58Å; F25-Y36 HydrophobicContact CZ-CD2 3.58Å; F25-Y36 HydrophobicContact CZ-CE2 4.44Å; 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 2.86Å; F25-Y36 PolarHBondContact O-N 3.39Å; F25-L41 HydrophobicContact CE1-CD1 3.65Å; F25-L41 HydrophobicContact CZ-CD1 3.75Å; F25-I311 HydrophobicContact CB-CD1 3.73Å; F25-I311 HydrophobicContact CD1-CD1 3.36Å; F25-I311 HydrophobicContact CD2-CD1 3.64Å; F25-I311 HydrophobicContact CD2-CG2 4.43Å; F25-I311 HydrophobicContact CE1-CD1 3.72Å; F25-I311 HydrophobicContact CE2-CD1 3.97Å; F25-I311 HydrophobicContact CE2-CG2 4.22Å; F25-I311 HydrophobicContact CG-CD1 3.3Å; F25-I311 HydrophobicContact CZ-CD1 4.01Å; F25-Y317 HydrophobicContact CE1-CD2 4.41Å; F25-F336 HydrophobicContact CE2-CD2 4.02Å; F25-F336 HydrophobicContact CE2-CE2 4.15Å; F25-F336 HydrophobicContact CE2-CG 4.36Å; F25-F336 HydrophobicContact CZ-CB 4.47Å; F25-F336 HydrophobicContact CZ-CD2 4.29Å; F25-F336 HydrophobicContact CZ-CG 4.24Å
26A98.5Very high97.6Very high0 Ų018 Ų180%010%0.096CC..EExtended strand (participates in β ladder)trans-117.1147.6176.300000110.8A16 G17 R34 V35 V57 M59A16-A26 WeakPolarHBondContact CA-O 3.42Å; G17-A26 PolarHBondContact N-O 2.99Å; G17-A26 PolarHBondContact O-N 3.17Å; A26-R34 CarbonylContact C-O 3.53Å; A26-R34 VanDerWaalsContact CA-O 3.29Å; A26-R34 WeakPolarHBondContact CA-O 3.48Å; A26-V35 HydrophobicContact CB-CG2 4.24Å; A26-V57 HydrophobicContact CB-CB 3.94Å; A26-V57 HydrophobicContact CB-CG1 3.55Å; A26-M59 HydrophobicContact CB-CE 3.58Å; A26-M59 HydrophobicContact CB-CG 4.02Å; A26-M59 HydrophobicContact CB-SD 3.77Å; A26-M59 VanDerWaalsContact N-CE 3.29Å
27C98.3Very high97.6Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-121.3127.6179.7-64.50000109.9L13 Y15 M29 F33 R34L13-C27 HydrophobicContact CD1-CB 3.58Å; Y15-C27 CarbonylContact O-C 3.51Å; Y15-C27 WeakPolarHBondContact O-CA 3.42Å; C27-M29 HydrophobicContact CB-SD 4Å; C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.27Å; C27-F33 VanDerWaalsContact O-CB 3.29Å; C27-F33 WeakPolarHBondContact O-CB 3.38Å; C27-R34 HydrophobicContact CB-CB 4.41Å; C27-R34 PolarHBondContact N-O 2.98Å; C27-R34 PolarHBondContact O-N 3.24Å
28G98.3Very high97.6Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-85.9132.5164.300000108.9L14 Y15 V54L14-G28 PolarHBondContact N-O 3.14Å; Y15-G28 PolarHBondContact N-O 3.22Å; Y15-G28 PolarHBondContact O-N 3.14Å; G28-V54 CarbonylContact C-O 3.54Å; G28-V54 WeakPolarHBondContact CA-O 3.2Å
29M97.8Very high97.6Very high5 Ų519.6 Ų19.63%0.02510%0.103CC..EExtended strand (participates in β ladder)trans-122.8159.3-175.6-53-61.6-65.400110.7G12 L13 C27 N31 G32 R34 G53 V54 L337G12-M29 CarbonylContact O-C 3.5Å; G12-M29 VanDerWaalsContact O-CA 3.26Å; G12-M29 WeakPolarHBondContact O-CA 3.2Å; L13-M29 HydrophobicContact CB-CE 4.41Å; L13-M29 HydrophobicContact CB-SD 4.31Å; L13-M29 HydrophobicContact CD1-SD 3.57Å; L13-M29 VanDerWaalsContact CD1-SD 3.57Å; C27-M29 HydrophobicContact CB-SD 4Å; M29-N31 WeakPolarHBondContact CB-OD1 3.47Å; M29-N31 PolarHBondContact O-N 2.85Å; M29-N31 VanDerWaalsContact O-N 3.15Å; M29-G32 WeakPolarHBondContact CA-O 3.3Å; M29-G32 WeakPolarHBondContact CB-O 3.45Å; M29-G32 PolarHBondContact N-O 2.86Å; M29-G32 PolarHBondContact O-N 3.46Å; M29-G32 VanDerWaalsContact O-O 3.11Å; M29-R34 HydrophobicContact CG-CG 4.19Å; M29-G53 CarbonylContact O-C 3.6Å; M29-G53 WeakPolarHBondContact O-CA 3.31Å; M29-V54 PolarHBondContact N-O 2.96Å; M29-V54 PolarHBondContact O-N 2.86Å; M29-L337 HydrophobicContact CE-CD1 4.4Å; M29-L337 HydrophobicContact CE-CD2 3.67Å; M29-L337 HydrophobicContact SD-CD2 4Å
30E96.8Very high97.6Very high87 Ų8724.1 Ų24.141%0.40713%0.133SC..THydrogen-bonded Turntrans-61.7-17.5172.8-73.6-172.2161.200113.6G12 L14 G52 G53G12-E30 PolarHBondContact O-N 3.23Å; L14-E30 HydrophobicContact CD1-CG 3.98Å; L14-E30 HydrophobicContact CD2-CG 3.76Å; L14-E30 HydrophobicContact CG-CG 3.93Å; E30-G52 CarbonylContact O-C 3.56Å; E30-G52 VanDerWaalsContact O-C 3.26Å; E30-G53 VanDerWaalsContact C-CA 3.49Å; E30-G53 WeakPolarHBondContact O-CA 3.11Å; E30-G53 PolarHBondContact O-N 2.79Å
31N95.7Very high97.7Very high59 Ų5924.1 Ų24.132%0.31613%0.134SC..THydrogen-bonded Turntrans-121.612.9-179.571.7-20.6000114M29 E48 F49M29-N31 WeakPolarHBondContact CB-OD1 3.47Å; M29-N31 PolarHBondContact O-N 2.85Å; M29-N31 VanDerWaalsContact O-N 3.15Å; N31-E48 PolarHBondContact ND2-OE1 2.78Å; N31-E48 VanDerWaalsContact ND2-OE1 3.09Å; N31-E48 CarbonylContact O-C 3.58Å; N31-E48 WeakPolarHBondContact O-CA 3.35Å; N31-F49 PolarHBondContact O-N 3.26Å
32G96.9Very high97.8Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans146.4-139.5-178.300000113.5M29 Q47 V54M29-G32 WeakPolarHBondContact CA-O 3.3Å; M29-G32 WeakPolarHBondContact CB-O 3.45Å; M29-G32 PolarHBondContact N-O 2.86Å; M29-G32 PolarHBondContact O-N 3.46Å; M29-G32 VanDerWaalsContact O-O 3.11Å; G32-Q47 WeakPolarHBondContact CA-O 3.48Å; G32-V54 WeakPolarHBondContact O-CB 3.44Å
33F97.8Very high97.7Very high1 Ų125.3 Ų25.30%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-146.6161.3176.269.9-93.1000112C27 V35 E45 Q47 F49 V57 L66 L68 W85C27-F33 CarbonylContact O-C 3.58Å; C27-F33 WeakPolarHBondContact O-CA 3.27Å; C27-F33 VanDerWaalsContact O-CB 3.29Å; C27-F33 WeakPolarHBondContact O-CB 3.38Å; F33-V35 HydrophobicContact CD2-CG2 4.28Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; F33-E45 HydrophobicContact CE2-CG 4.1Å; F33-Q47 HydrophobicContact CD1-CB 3.93Å; F33-Q47 HydrophobicContact CD1-CG 4.27Å; F33-Q47 HydrophobicContact CD2-CB 4.42Å; F33-Q47 HydrophobicContact CE1-CB 3.44Å; F33-Q47 VanDerWaalsContact CE1-CB 3.44Å; F33-Q47 HydrophobicContact CE1-CG 3.62Å; F33-Q47 HydrophobicContact CE2-CB 3.97Å; F33-Q47 HydrophobicContact CG-CB 4.39Å; F33-Q47 HydrophobicContact CZ-CB 3.45Å; F33-Q47 VanDerWaalsContact CZ-CB 3.45Å; F33-Q47 HydrophobicContact CZ-CG 3.99Å; F33-Q47 PolarHBondContact N-O 2.86Å; F33-Q47 PolarHBondContact O-N 2.8Å; F33-F49 HydrophobicContact CD1-CZ 4.32Å; F33-F49 HydrophobicContact CE1-CZ 4.31Å; F33-V57 HydrophobicContact CB-CG2 3.96Å; F33-L66 HydrophobicContact CD2-CD1 4.01Å; F33-L66 HydrophobicContact CE2-CD1 3.33Å; F33-L66 HydrophobicContact CZ-CD1 3.66Å; F33-L68 HydrophobicContact CD1-CD1 4.04Å; F33-L68 HydrophobicContact CD1-CD2 4.18Å; F33-L68 HydrophobicContact CE1-CD1 3.93Å; F33-L68 HydrophobicContact CE1-CD2 4.47Å; F33-L68 HydrophobicContact CG-CD2 4.46Å; F33-W85 HydrophobicContact CE1-CD2 4.4Å; F33-W85 AromaticContact CZ-CD1 3.91Å; F33-W85 HydrophobicContact CZ-CG 4.45Å; F33-W85 AromaticContact CZ-NE1 3.63Å
34R97.9Very high97.5Very high26 Ų2630 Ų3010%0.09815%0.151CC..EExtended strand (participates in β ladder)trans-134.6150175.9-55-170.8-171.6-175.87.8110.7A26 C27 M29 Y36 E43 E45 K46 L337A26-R34 CarbonylContact C-O 3.53Å; A26-R34 VanDerWaalsContact CA-O 3.29Å; A26-R34 WeakPolarHBondContact CA-O 3.48Å; C27-R34 HydrophobicContact CB-CB 4.41Å; C27-R34 PolarHBondContact N-O 2.98Å; C27-R34 PolarHBondContact O-N 3.24Å; M29-R34 HydrophobicContact CG-CG 4.19Å; R34-Y36 HydrophobicContact CB-CD2 4.42Å; R34-Y36 HydrophobicContact CB-CE2 3.57Å; R34-Y36 WeakPolarHBondContact CD-OH 3.27Å; R34-Y36 PolarHBondContact NH1-OH 2.86Å; R34-E43 IonicContact NH1-OE2 3.81Å; R34-E45 CarbonylContact C-O 3.58Å; R34-E45 VanDerWaalsContact CA-O 3.3Å; R34-E45 WeakPolarHBondContact CA-O 3.44Å; R34-K46 HydrophobicContact CG-CB 4.49Å; R34-K46 HydrophobicContact CG-CG 4.16Å; R34-L337 PolarHBondContact NH1-O 2.83Å
35V97.9Very high97.4Very high18 Ų1831.5 Ų31.511%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-127.8136.6173.9-175.60000108.8C24 A26 F33 K44 E45 M59 L66C24-V35 HydrophobicContact CB-CG1 4.48Å; A26-V35 HydrophobicContact CB-CG2 4.24Å; F33-V35 HydrophobicContact CD2-CG2 4.28Å; F33-V35 HydrophobicContact CE2-CG2 4.36Å; V35-K44 WeakPolarHBondContact O-CA 3.39Å; V35-K44 WeakPolarHBondContact O-CB 3.35Å; V35-K44 PolarHBondContact O-N 3.05Å; V35-E45 HydrophobicContact CB-CB 4.06Å; V35-E45 HydrophobicContact CG2-CB 4.29Å; V35-E45 PolarHBondContact N-O 2.88Å; V35-E45 PolarHBondContact O-N 3.39Å; V35-M59 HydrophobicContact CG1-SD 3.98Å; V35-L66 HydrophobicContact CG2-CD1 4.4Å
36Y98.2Very high97.2Very high0 Ų035.5 Ų35.50%018%0.175CC..EExtended strand (participates in β ladder)trans-126.9144-179.5-61.4-92.2000110.1C24 F25 R34 L41 K42 E43 F336C24-Y36 CarbonylContact C-O 3.54Å; C24-Y36 WeakPolarHBondContact CA-O 3.12Å; C24-Y36 VanDerWaalsContact CB-O 3.25Å; C24-Y36 WeakPolarHBondContact CB-O 3.33Å; F25-Y36 AromaticContact CD2-CD2 3.86Å; F25-Y36 HydrophobicContact CD2-CD2 3.86Å; F25-Y36 HydrophobicContact CD2-CG 4.41Å; F25-Y36 HydrophobicContact CE1-CD2 4.39Å; F25-Y36 HydrophobicContact CE1-CG 4Å; F25-Y36 AromaticContact CE2-CD2 3.26Å; F25-Y36 HydrophobicContact CE2-CD2 3.26Å; F25-Y36 AromaticContact CE2-CE2 3.99Å; F25-Y36 HydrophobicContact CE2-CE2 3.99Å; F25-Y36 AromaticContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CE2-CG 3.69Å; F25-Y36 HydrophobicContact CZ-CD1 4.22Å; F25-Y36 AromaticContact CZ-CD2 3.58Å; F25-Y36 HydrophobicContact CZ-CD2 3.58Å; F25-Y36 HydrophobicContact CZ-CE2 4.44Å; 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 2.86Å; F25-Y36 PolarHBondContact O-N 3.39Å; R34-Y36 HydrophobicContact CB-CD2 4.42Å; R34-Y36 HydrophobicContact CB-CE2 3.57Å; R34-Y36 WeakPolarHBondContact CD-OH 3.27Å; R34-Y36 PolarHBondContact NH1-OH 2.86Å; Y36-L41 HydrophobicContact CD1-CD1 4.29Å; Y36-K42 CarbonylContact C-O 3.59Å; Y36-K42 VanDerWaalsContact CA-O 3.27Å; Y36-K42 WeakPolarHBondContact CA-O 3.37Å; Y36-E43 HydrophobicContact CD1-CB 3.85Å; Y36-E43 HydrophobicContact CD1-CG 4.11Å; Y36-E43 HydrophobicContact CE1-CB 3.63Å; Y36-E43 HydrophobicContact CE1-CG 3.63Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.29Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.49Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.25Å; Y36-E43 PolarHBondContact OH-OE2 3Å; Y36-F336 HydrophobicContact CD2-CD2 4.49Å; Y36-F336 HydrophobicContact CE1-CB 4.46Å; Y36-F336 HydrophobicContact CE1-CD2 4.45Å; Y36-F336 WeakPolarHBondContact CE1-O 3.45Å; Y36-F336 AromaticContact CE2-CD2 3.88Å; Y36-F336 HydrophobicContact CE2-CD2 3.88Å; Y36-F336 HydrophobicContact CE2-CE2 4.38Å; Y36-F336 AromaticContact CZ-CD2 3.9Å; Y36-F336 PolarHBondContact OH-O 2.98Å
37N98.1Very high97.1Very high35 Ų3537.5 Ų37.519%0.18718%0.184CC..EExtended strand (participates in β ladder)trans-66.3139.3154.8-82.9-13.9000108.5P40 L41 K42 K44 R62N37-P40 WeakPolarHBondContact CB-O 3.38Å; N37-L41 WeakPolarHBondContact O-CA 3.49Å; N37-K42 HydrophobicContact CB-CB 4.25Å; N37-K42 PolarHBondContact N-O 2.93Å; N37-K42 PolarHBondContact O-N 2.79Å; N37-K44 HydrophobicContact CB-CG 4.31Å; N37-R62 PolarHBondContact OD1-NH1 2.73Å
38T98.3Very high96.9Very high2 Ų241.9 Ų41.91%0.01221%0.205CC..THydrogen-bonded Turntrans-78.4-49.6-176.4-58.40000113F18 H22 G23 C24 I309 Y317F18-T38 HydrophobicContact CD1-CG2 4.46Å; F18-T38 HydrophobicContact CE1-CG2 3.78Å; H22-T38 WeakPolarHBondContact O-CB 3.43Å; H22-T38 WeakPolarHBondContact O-CG2 3.49Å; H22-T38 PolarHBondContact O-OG1 3.3Å; G23-T38 VanDerWaalsContact C-OG1 3.3Å; G23-T38 PolarHBondContact O-N 2.96Å; G23-T38 PolarHBondContact O-OG1 2.81Å; C24-T38 VanDerWaalsContact C-OG1 3.23Å; C24-T38 WeakPolarHBondContact CA-OG1 2.85Å; C24-T38 PolarHBondContact N-OG1 3.42Å; T38-I309 HydrophobicContact CG2-CB 4.27Å; T38-I309 HydrophobicContact CG2-CG1 3.93Å; T38-I309 HydrophobicContact CG2-CG2 4.08Å; T38-Y317 VanDerWaalsContact O-CE2 3.27Å; T38-Y317 WeakPolarHBondContact O-CE2 3.36Å; T38-Y317 VanDerWaalsContact O-CZ 3.3Å; T38-Y317 PolarHBondContact O-OH 3.31Å
39D97.8Very high96.6Very high26 Ų2643.2 Ų43.214%0.13921%0.211CC..THydrogen-bonded Turntrans-152.1106.4-173.9-174.715.3000110.5T303 K319D39-T303 PolarHBondContact O-OG1 2.87Å; D39-T303 PolarHBondContact OD2-N 3.02Å; D39-K319 IonicContact OD1-NZ 2.69Å; D39-K319 PolarHBondContact OD1-NZ 3.3Å; D39-K319 IonicContact OD2-NZ 3.71Å; D39-K319 PolarHBondContact OD2-NZ 3.17Å
40P97.4Very high96.2Very high101 Ų10151.7 Ų51.766%0.65626%0.255SS*.THydrogen-bonded Turncis-69.5144.1229.1-35000112.3N37 K42N37-P40 WeakPolarHBondContact CB-O 3.38Å; P40-K42 PolarHBondContact O-N 2.8Å
41L98Very high95.8Very high27 Ų2755.1 Ų55.114%0.14127%0.271CS..THydrogen-bonded Turntrans-61.8122.2177.9177.366000110.5F25 Y36 N37 Y317 A334 F336 M339F25-L41 HydrophobicContact CE1-CD1 3.65Å; F25-L41 HydrophobicContact CZ-CD1 3.75Å; Y36-L41 HydrophobicContact CD1-CD1 4.29Å; N37-L41 WeakPolarHBondContact O-CA 3.49Å; L41-Y317 HydrophobicContact CB-CE1 4.31Å; L41-Y317 HydrophobicContact CB-CE2 4.2Å; L41-Y317 HydrophobicContact CD1-CD2 3.87Å; L41-Y317 HydrophobicContact CD1-CE2 3.99Å; L41-Y317 HydrophobicContact CD1-CG 4.42Å; L41-Y317 HydrophobicContact CD2-CD1 3.92Å; L41-Y317 HydrophobicContact CD2-CD2 4.04Å; L41-Y317 HydrophobicContact CD2-CE1 4.4Å; L41-Y317 HydrophobicContact CD2-CE2 4.45Å; L41-Y317 HydrophobicContact CD2-CG 3.74Å; L41-Y317 HydrophobicContact CG-CD2 4.39Å; L41-Y317 HydrophobicContact CG-CE2 4.44Å; L41-A334 HydrophobicContact CD2-CB 3.53Å; L41-F336 HydrophobicContact CD1-CB 4.35Å; L41-F336 HydrophobicContact CD2-CB 4.17Å; L41-M339 HydrophobicContact CD1-SD 4.36Å; L41-M339 HydrophobicContact CD2-CE 4.22Å; L41-M339 HydrophobicContact CD2-SD 3.47Å; L41-M339 WeakPolarHBondContact CD2-SD 3.44Å; L41-M339 HydrophobicContact CG-CE 4.06Å; L41-M339 HydrophobicContact CG-SD 3.64Å
42K96.5Very high95.7Very high91 Ų9152.9 Ų52.940%0.39626%0.262SS..EExtended strand (participates in β ladder)trans-154.1131.2176.7-179.6168.6-178.7166.50111.1Y36 N37 P40 K44 I344Y36-K42 CarbonylContact C-O 3.59Å; Y36-K42 VanDerWaalsContact CA-O 3.27Å; Y36-K42 WeakPolarHBondContact CA-O 3.37Å; N37-K42 HydrophobicContact CB-CB 4.25Å; N37-K42 PolarHBondContact N-O 2.93Å; N37-K42 PolarHBondContact O-N 2.79Å; P40-K42 PolarHBondContact O-N 2.8Å; K42-K44 PolarHBondContact O-N 3.13Å; K42-I344 HydrophobicContact CD-CD1 4.22Å
43E96Very high95.7Very high27 Ų2752.9 Ų52.913%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-65.2129.2171.3-164.2165.898.600109.4R34 Y36 K46R34-E43 IonicContact NH1-OE2 3.81Å; Y36-E43 HydrophobicContact CD1-CB 3.85Å; Y36-E43 HydrophobicContact CD1-CG 4.11Å; Y36-E43 HydrophobicContact CE1-CB 3.63Å; Y36-E43 HydrophobicContact CE1-CG 3.63Å; Y36-E43 VanDerWaalsContact CE1-OE2 3.29Å; Y36-E43 WeakPolarHBondContact CE1-OE2 3.49Å; Y36-E43 VanDerWaalsContact CZ-OE2 3.25Å; Y36-E43 PolarHBondContact OH-OE2 3Å; E43-K46 WeakPolarHBondContact OE1-CB 3.48Å
44K94.8Very high95.7Very high115 Ų11552.8 Ų52.850%0.526%0.261SS..EExtended strand (participates in β ladder)trans-109.5-36.7-176.3-74.6-56.3-54.8166.60112.1V35 N37 K42V35-K44 WeakPolarHBondContact O-CA 3.39Å; V35-K44 WeakPolarHBondContact O-CB 3.35Å; V35-K44 PolarHBondContact O-N 3.05Å; N37-K44 HydrophobicContact CB-CG 4.31Å; K42-K44 PolarHBondContact O-N 3.13Å
45E94.9Very high95.7Very high40 Ų4051.6 Ų51.619%0.18726%0.257CS..EExtended strand (participates in β ladder)trans-150.6138.5-178.2-178.457.4-14800109.1F33 R34 V35 K90F33-E45 HydrophobicContact CE2-CG 4.1Å; R34-E45 CarbonylContact C-O 3.58Å; R34-E45 VanDerWaalsContact CA-O 3.3Å; R34-E45 WeakPolarHBondContact CA-O 3.44Å; V35-E45 HydrophobicContact CB-CB 4.06Å; V35-E45 HydrophobicContact CG2-CB 4.29Å; V35-E45 PolarHBondContact N-O 2.88Å; V35-E45 PolarHBondContact O-N 3.39Å; E45-K90 IonicContact OE1-NZ 2.78Å; E45-K90 PolarHBondContact OE1-NZ 2.94Å; E45-K90 IonicContact OE2-NZ 2.74Å; E45-K90 PolarHBondContact OE2-NZ 2.95Å
46K95.4Very high95.7Very high86 Ų8651.4 Ų51.437%0.37426%0.255SS..EExtended strand (participates in β ladder)trans-137.3103.1172.6178.1178175.4-164.30108.2R34 E43 E48R34-K46 HydrophobicContact CG-CB 4.49Å; R34-K46 HydrophobicContact CG-CG 4.16Å; E43-K46 WeakPolarHBondContact OE1-CB 3.48Å; K46-E48 WeakPolarHBondContact CE-OE1 3.04Å; K46-E48 HydrophobicContact CG-CG 4.29Å; K46-E48 IonicContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact NZ-OE1 2.92Å; K46-E48 IonicContact NZ-OE2 3.61Å
47Q95.6Very high95.7Very high41 Ų4151.5 Ų51.519%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-103.3110.7176-178.462.460.900108.8G32 F33 F49 W85G32-Q47 WeakPolarHBondContact CA-O 3.48Å; F33-Q47 HydrophobicContact CD1-CB 3.93Å; F33-Q47 HydrophobicContact CD1-CG 4.27Å; F33-Q47 HydrophobicContact CD2-CB 4.42Å; F33-Q47 HydrophobicContact CE1-CB 3.44Å; F33-Q47 VanDerWaalsContact CE1-CB 3.44Å; F33-Q47 HydrophobicContact CE1-CG 3.62Å; F33-Q47 HydrophobicContact CE2-CB 3.97Å; F33-Q47 HydrophobicContact CG-CB 4.39Å; F33-Q47 HydrophobicContact CZ-CB 3.45Å; F33-Q47 VanDerWaalsContact CZ-CB 3.45Å; F33-Q47 HydrophobicContact CZ-CG 3.99Å; F33-Q47 PolarHBondContact N-O 2.86Å; F33-Q47 PolarHBondContact O-N 2.8Å; Q47-F49 HydrophobicContact CG-CD1 4.25Å; Q47-F49 HydrophobicContact CG-CE1 3.56Å; Q47-F49 HydrophobicContact CG-CZ 4.02Å; Q47-W85 HydrophobicContact CG-CH2 4.25Å; Q47-W85 HydrophobicContact CG-CZ2 3.95Å
48E94.4Very high95.7Very high92 Ų9250.4 Ų50.443%0.4325%0.249SC..EExtended strand (participates in β ladder)trans-100.5143.3172.3-67.3-176.6147.800110.4N31 K46N31-E48 PolarHBondContact ND2-OE1 2.78Å; N31-E48 VanDerWaalsContact ND2-OE1 3.09Å; N31-E48 CarbonylContact O-C 3.58Å; N31-E48 WeakPolarHBondContact O-CA 3.35Å; K46-E48 WeakPolarHBondContact CE-OE1 3.04Å; K46-E48 HydrophobicContact CG-CG 4.29Å; K46-E48 IonicContact NZ-OE1 3.19Å; K46-E48 PolarHBondContact NZ-OE1 2.92Å; K46-E48 IonicContact NZ-OE2 3.61Å
49F92.6Very high95.7Very high28 Ų2850.7 Ų50.712%0.12325%0.25CS..  trans-109.7148173.4-55.9-43.8000109.3N31 F33 Q47 E51 V54 K76 W85N31-F49 PolarHBondContact O-N 3.26Å; F33-F49 HydrophobicContact CD1-CZ 4.32Å; F33-F49 HydrophobicContact CE1-CZ 4.31Å; Q47-F49 HydrophobicContact CG-CD1 4.25Å; Q47-F49 HydrophobicContact CG-CE1 3.56Å; Q47-F49 HydrophobicContact CG-CZ 4.02Å; F49-E51 PolarHBondContact O-N 2.77Å; F49-V54 HydrophobicContact CE2-CG2 3.75Å; F49-K76 HydrophobicContact CB-CD 4.23Å; F49-K76 HydrophobicContact CD2-CB 4.08Å; F49-K76 HydrophobicContact CD2-CD 3.91Å; F49-K76 HydrophobicContact CD2-CG 3.72Å; F49-K76 HydrophobicContact CE2-CB 4.33Å; F49-K76 HydrophobicContact CE2-CG 3.89Å; F49-K76 HydrophobicContact CG-CD 4.1Å; F49-K76 HydrophobicContact CG-CG 4.37Å; F49-W85 HydrophobicContact CE1-CH2 4.28Å; F49-W85 HydrophobicContact CE1-CZ3 4.36Å
50L88.3Confident95.6Very high184 Ų18449.7 Ų49.796%0.96325%0.245SC*.SBendtrans-56.4-40.1174.3-68.1172.6000111.8
51E89.5Confident95.4Very high159 Ų15947.3 Ų47.374%0.74323%0.225SC*.SBendtrans-146.1142.1175.1-64.5-170.516200110.2F49 K76F49-E51 PolarHBondContact O-N 2.77Å; E51-K76 WeakPolarHBondContact O-CD 3.29Å
52G93.4Very high95.2Very high11 Ų1153 Ų5311%0.11324%0.244CC..  trans106.4140.8167.500000114.9E30 K74E30-G52 CarbonylContact O-C 3.56Å; E30-G52 VanDerWaalsContact O-C 3.26Å; G52-K74 CarbonylContact C-O 3.6Å; G52-K74 WeakPolarHBondContact CA-O 3.41Å
53G96.3Very high94.9Very high0 Ų051.3 Ų51.30%024%0.243CC..BIsolated β-bridgetrans-100.4160.7179.400000115.2M29 E30 G71 K74 K76M29-G53 CarbonylContact O-C 3.6Å; M29-G53 WeakPolarHBondContact O-CA 3.31Å; E30-G53 VanDerWaalsContact C-CA 3.49Å; E30-G53 WeakPolarHBondContact O-CA 3.11Å; E30-G53 PolarHBondContact O-N 2.79Å; G53-G71 CarbonylContact C-O 3.53Å; G53-G71 WeakPolarHBondContact CA-O 3.22Å; G53-G71 PolarHBondContact O-N 3.38Å; G53-G71 VanDerWaalsContact O-N 3.16Å; G53-K74 PolarHBondContact N-O 3.38Å; G53-K76 PolarHBondContact O-N 2.98Å
54V98Very high94.8Very high0 Ų052.8 Ų52.80%025%0.252CS..EExtended strand (participates in β ladder)trans-113.1122.6173-176.70000108.8G28 M29 G32 F49 H56 V57 L68 V69G28-V54 CarbonylContact C-O 3.54Å; G28-V54 WeakPolarHBondContact CA-O 3.2Å; M29-V54 PolarHBondContact N-O 2.96Å; M29-V54 PolarHBondContact O-N 2.86Å; G32-V54 WeakPolarHBondContact O-CB 3.44Å; F49-V54 HydrophobicContact CE2-CG2 3.75Å; V54-H56 VanDerWaalsContact CG1-O 3.31Å; V54-H56 WeakPolarHBondContact CG1-O 3.32Å; V54-V57 HydrophobicContact CG1-CG2 3.67Å; V54-L68 HydrophobicContact CG1-CB 4.13Å; V54-L68 HydrophobicContact CG1-CD2 4.22Å; V54-V69 WeakPolarHBondContact CG1-O 3.41Å
55G97.5Very high94.9Very high1 Ų150.7 Ų50.71%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-98.7-11.8-176.100000114.8Y15 V69Y15-G55 VanDerWaalsContact CB-O 3.27Å; Y15-G55 WeakPolarHBondContact CB-O 3.46Å; G55-V69 PolarHBondContact N-O 2.89Å
56H98.4Very high95.1Very high14 Ų1449.1 Ų49.17%0.06523%0.234CC..EExtended strand (participates in β ladder)trans-150.4136.2175.4-165.794.1000109.8Y15 V54 L68 V69 V105Y15-H56 AromaticContact CD2-ND1 3.84Å; Y15-H56 AromaticContact CE2-CE1 3.66Å; Y15-H56 AromaticContact CE2-ND1 3.42Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.37Å; V54-H56 VanDerWaalsContact CG1-O 3.31Å; V54-H56 WeakPolarHBondContact CG1-O 3.32Å; H56-L68 WeakPolarHBondContact O-CA 3.12Å; H56-V69 HydrophobicContact CB-CB 3.96Å; H56-V69 HydrophobicContact CB-CG2 4.23Å; H56-V69 PolarHBondContact N-O 3.08Å; H56-V69 PolarHBondContact O-N 2.91Å; H56-V69 VanDerWaalsContact O-N 3.08Å; H56-V105 PolarHBondContact NE2-N 3.19Å
57V98.6Very high95.2Very high1 Ų145 Ų451%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-133.7116.3176.5-173.80000108.6Y15 A26 F33 V54 L66 A67 L68Y15-V57 HydrophobicContact CD1-CB 4.34Å; Y15-V57 HydrophobicContact CE1-CB 4.36Å; Y15-V57 WeakPolarHBondContact CE1-O 3.15Å; Y15-V57 PolarHBondContact OH-O 3.31Å; A26-V57 HydrophobicContact CB-CB 3.94Å; A26-V57 HydrophobicContact CB-CG1 3.55Å; F33-V57 HydrophobicContact CB-CG2 3.96Å; V54-V57 HydrophobicContact CG1-CG2 3.67Å; V57-L66 HydrophobicContact CG1-CD2 4.43Å; V57-A67 WeakPolarHBondContact CA-O 3.25Å; V57-L68 HydrophobicContact CB-CD2 4.35Å; V57-L68 HydrophobicContact CG1-CD2 3.85Å; V57-L68 HydrophobicContact CG2-CD2 4.01Å
58E98.5Very high95.4Very high12 Ų1243.1 Ų43.16%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-111.2118.7173.3178.678.4-173.900109L66 A67 V105 K106 L107E58-L66 CarbonylContact O-C 3.55Å; E58-L66 WeakPolarHBondContact O-CA 3.46Å; E58-A67 HydrophobicContact CB-CB 4.28Å; E58-A67 PolarHBondContact N-O 2.8Å; E58-A67 PolarHBondContact O-N 3.4Å; E58-V105 HydrophobicContact CB-CB 4.37Å; E58-V105 WeakPolarHBondContact CB-O 3.31Å; E58-V105 VanDerWaalsContact CG-O 3.22Å; E58-V105 WeakPolarHBondContact CG-O 3.44Å; E58-K106 WeakPolarHBondContact OE1-CD 3.48Å; E58-K106 IonicContact OE1-NZ 2.78Å; E58-K106 IonicContact OE2-NZ 2.68Å; E58-K106 PolarHBondContact OE2-NZ 2.65Å; E58-L107 HydrophobicContact CG-CB 4.31Å; E58-L107 HydrophobicContact CG-CD1 4.46Å; E58-L107 HydrophobicContact CG-CG 3.98Å
59M98.1Very high95.6Very high8 Ų839 Ų394%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-82148.4174.9-67.5163.9-76.200110.7G17 N19 Q20 C24 A26 V35 L66G17-M59 WeakPolarHBondContact O-CE 3.42Å; N19-M59 HydrophobicContact CB-CB 3.95Å; N19-M59 HydrophobicContact CB-CE 3.6Å; N19-M59 HydrophobicContact CB-SD 3.91Å; Q20-M59 PolarHBondContact NE2-O 2.77Å; Q20-M59 PolarHBondContact OE1-O 2.88Å; C24-M59 HydrophobicContact CB-SD 3.96Å; A26-M59 HydrophobicContact CB-CE 3.58Å; A26-M59 HydrophobicContact CB-CG 4.02Å; A26-M59 HydrophobicContact CB-SD 3.77Å; A26-M59 VanDerWaalsContact N-CE 3.29Å; V35-M59 HydrophobicContact CG1-SD 3.98Å; M59-L66 HydrophobicContact CB-CD2 4.1Å; M59-L66 HydrophobicContact CG-CD2 3.47Å; M59-L66 VanDerWaalsContact CG-CD2 3.47Å
60L95.7Very high95.8Very high6 Ų637.8 Ų37.83%0.03118%0.184CC..  trans-99.489.8162.8-178.958000109.7R62 C63 Y65 L107 R108 F125L60-R62 PolarHBondContact O-N 2.73Å; L60-C63 HydrophobicContact CB-CB 4.47Å; L60-C63 HydrophobicContact CG-CB 4.45Å; L60-C63 WeakPolarHBondContact O-CB 3.39Å; L60-C63 PolarHBondContact O-N 2.84Å; L60-C63 PolarHBondContact O-SG 2.96Å; L60-Y65 PolarHBondContact N-O 3.08Å; L60-L107 HydrophobicContact CB-CB 4.16Å; L60-L107 HydrophobicContact CB-CD1 4.11Å; L60-L107 HydrophobicContact CD1-CB 4.08Å; L60-R108 VanDerWaalsContact CD1-C 3.48Å; L60-F125 HydrophobicContact CD2-CE1 4.18Å
61F92.9Very high96.2Very high51 Ų5129.1 Ų29.122%0.22414%0.139CC..THydrogen-bonded Turntrans49.8-119.7-171.9-71.7-81.8000111.9N19 Q20 P149N19-F61 PolarHBondContact ND2-O 3.45Å; Q20-F61 HydrophobicContact CB-CD1 3.87Å; Q20-F61 HydrophobicContact CB-CE1 3.7Å; Q20-F61 HydrophobicContact CB-CG 4.47Å; Q20-F61 HydrophobicContact CB-CZ 4.19Å; Q20-F61 HydrophobicContact CG-CD1 4.41Å; Q20-F61 HydrophobicContact CG-CE1 4.34Å; Q20-F61 HydrophobicContact CG-CE2 4.48Å; Q20-F61 HydrophobicContact CG-CZ 4.42Å; F61-P149 HydrophobicContact CE1-CB 4.21Å; F61-P149 HydrophobicContact CE2-CB 4.01Å; F61-P149 HydrophobicContact CZ-CB 3.52Å; F61-P149 HydrophobicContact CZ-CG 4.34Å; F61-P149 WeakPolarHBondContact CZ-O 3.36Å
62R93Very high96.4Very high146 Ų14622.3 Ų22.355%0.55111%0.112SC*.THydrogen-bonded Turntrans-112.821.8173.4-62.8178.8176.5-99.70.4110.9G23 C24 N37 L60G23-R62 VanDerWaalsContact C-NH2 3.35Å; G23-R62 PolarHBondContact O-NH2 2.94Å; C24-R62 PolarHBondContact SG-NH1 2.99Å; C24-R62 VanDerWaalsContact SG-NH1 3.39Å; N37-R62 PolarHBondContact OD1-NH1 2.73Å; L60-R62 PolarHBondContact O-N 2.73Å
63C92.1Very high96.4Very high55 Ų5529.8 Ų29.837%0.37214%0.141SC..SBendtrans-74164.1174.1-60.20000110.5L60 Y65L60-C63 HydrophobicContact CB-CB 4.47Å; L60-C63 HydrophobicContact CG-CB 4.45Å; L60-C63 WeakPolarHBondContact O-CB 3.39Å; L60-C63 PolarHBondContact O-N 2.84Å; L60-C63 PolarHBondContact O-SG 2.96Å; C63-Y65 PolarHBondContact O-N 2.88Å; C63-Y65 VanDerWaalsContact O-N 3.17Å
64N93.2Very high96.3Very high59 Ų5937.7 Ų37.732%0.31618%0.176SC..SBendtrans-75.79.8176.463-58.6000113.8D86 D87 L88N64-D86 PolarHBondContact ND2-OD1 3.5Å; N64-D86 CarbonylContact O-C 3.52Å; N64-D86 WeakPolarHBondContact O-CA 3.39Å; N64-D87 HydrophobicContact CB-CB 4.28Å; N64-D87 WeakPolarHBondContact O-CB 3.32Å; N64-D87 PolarHBondContact O-N 2.74Å; N64-L88 HydrophobicContact CB-CB 4.27Å
65Y96.6Very high96.2Very high70 Ų7040.4 Ų40.428%0.27519%0.194SC..EExtended strand (participates in β ladder)trans-106.1128.7178.7-69.9-61.2000111.5L60 C63 I84 W85 D86 V93 F125L60-Y65 PolarHBondContact N-O 3.08Å; C63-Y65 PolarHBondContact O-N 2.88Å; C63-Y65 VanDerWaalsContact O-N 3.17Å; Y65-I84 HydrophobicContact CD1-CG2 3.94Å; Y65-W85 WeakPolarHBondContact CA-O 3.15Å; Y65-D86 HydrophobicContact CD1-CB 4.28Å; Y65-D86 HydrophobicContact CE1-CB 3.85Å; Y65-V93 HydrophobicContact CD1-CG2 4.44Å; Y65-V93 HydrophobicContact CE1-CG2 3.97Å; Y65-F125 HydrophobicContact CD2-CE2 4.43Å; Y65-F125 HydrophobicContact CD2-CZ 4.31Å; Y65-F125 HydrophobicContact CG-CE2 4.44Å; Y65-F125 HydrophobicContact CG-CZ 4.05Å
66L98.1Very high96.2Very high8 Ų844.7 Ų44.74%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-123.5139.5173.6-55.6170.5000108.6F33 V35 V57 E58 M59 L68 I84 W85F33-L66 HydrophobicContact CD2-CD1 4.01Å; F33-L66 HydrophobicContact CE2-CD1 3.33Å; F33-L66 HydrophobicContact CZ-CD1 3.66Å; V35-L66 HydrophobicContact CG2-CD1 4.4Å; V57-L66 HydrophobicContact CG1-CD2 4.43Å; E58-L66 CarbonylContact O-C 3.55Å; E58-L66 WeakPolarHBondContact O-CA 3.46Å; M59-L66 HydrophobicContact CB-CD2 4.1Å; M59-L66 HydrophobicContact CG-CD2 3.47Å; M59-L66 VanDerWaalsContact CG-CD2 3.47Å; L66-L68 HydrophobicContact CB-CD2 4.03Å; L66-I84 CarbonylContact O-C 3.57Å; L66-I84 WeakPolarHBondContact O-CA 3.12Å; L66-W85 HydrophobicContact CB-CB 4.3Å; L66-W85 PolarHBondContact N-O 2.98Å; L66-W85 PolarHBondContact O-N 2.79Å
67A98.6Very high96.1Very high0 Ų045.5 Ų45.50%022%0.215CC..EExtended strand (participates in β ladder)trans-95.1126.5163.200000109.4V57 E58 V82 M83 I84 V105 L107V57-A67 WeakPolarHBondContact CA-O 3.25Å; E58-A67 HydrophobicContact CB-CB 4.28Å; E58-A67 PolarHBondContact N-O 2.8Å; E58-A67 PolarHBondContact O-N 3.4Å; A67-V82 HydrophobicContact CB-CG1 4.21Å; A67-M83 WeakPolarHBondContact CA-O 3.45Å; A67-I84 HydrophobicContact CB-CD1 3.73Å; A67-V105 HydrophobicContact CB-CB 4.04Å; A67-V105 HydrophobicContact CB-CG1 3.58Å; A67-V105 HydrophobicContact CB-CG2 4.47Å; A67-L107 HydrophobicContact CB-CD1 3.81Å; A67-L107 HydrophobicContact CB-CD2 4.14Å; A67-L107 HydrophobicContact CB-CG 4.11Å
68L98.7Very high96Very high0 Ų048.4 Ų48.40%023%0.234CC..EExtended strand (participates in β ladder)trans-115.6138.9-179.1-48.2179.1000109.8F33 V54 H56 V57 L66 Y77 M83 W85F33-L68 HydrophobicContact CD1-CD1 4.04Å; F33-L68 HydrophobicContact CD1-CD2 4.18Å; F33-L68 HydrophobicContact CE1-CD1 3.93Å; F33-L68 HydrophobicContact CE1-CD2 4.47Å; F33-L68 HydrophobicContact CG-CD2 4.46Å; V54-L68 HydrophobicContact CG1-CB 4.13Å; V54-L68 HydrophobicContact CG1-CD2 4.22Å; H56-L68 WeakPolarHBondContact O-CA 3.12Å; V57-L68 HydrophobicContact CB-CD2 4.35Å; V57-L68 HydrophobicContact CG1-CD2 3.85Å; V57-L68 HydrophobicContact CG2-CD2 4.01Å; L66-L68 HydrophobicContact CB-CD2 4.03Å; L68-Y77 HydrophobicContact CD1-CE2 4.31Å; L68-M83 HydrophobicContact CB-CB 4.33Å; L68-M83 PolarHBondContact N-O 2.98Å; L68-M83 PolarHBondContact O-N 3.11Å; L68-W85 HydrophobicContact CD1-CB 3.74Å; L68-W85 HydrophobicContact CD1-CD2 4.39Å; L68-W85 HydrophobicContact CD1-CE3 4.42Å; L68-W85 HydrophobicContact CD1-CG 4.15Å; L68-W85 HydrophobicContact CG-CB 4.1Å
69V98.6Very high96Very high5 Ų550.1 Ų50.13%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-123.7132.8166.2-175.70000107.5V54 G55 H56 V82 V102 V105V54-V69 WeakPolarHBondContact CG1-O 3.41Å; G55-V69 PolarHBondContact N-O 2.89Å; H56-V69 HydrophobicContact CB-CB 3.96Å; H56-V69 HydrophobicContact CB-CG2 4.23Å; H56-V69 PolarHBondContact N-O 3.08Å; H56-V69 PolarHBondContact O-N 2.91Å; H56-V69 VanDerWaalsContact O-N 3.08Å; V69-V82 HydrophobicContact CG2-CG2 4.32Å; V69-V102 HydrophobicContact CG1-CB 4.1Å; V69-V102 HydrophobicContact CG2-CB 4.14Å; V69-V102 HydrophobicContact CG2-CG1 3.75Å; V69-V105 HydrophobicContact CG2-CG2 3.92Å
70G97.8Very high96Very high3 Ų351.5 Ų51.53%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-62.9150.317800000112Y77G70-Y77 WeakPolarHBondContact CA-O 3.18Å
71G95.7Very high96.1Very high2 Ų253.2 Ų53.22%0.02126%0.26CS..  trans-166.6-177.7176.700000113.3G53 P75G53-G71 CarbonylContact C-O 3.53Å; G53-G71 WeakPolarHBondContact CA-O 3.22Å; G53-G71 PolarHBondContact O-N 3.38Å; G53-G71 VanDerWaalsContact O-N 3.16Å; G71-P75 WeakPolarHBondContact O-CA 3.3Å
72G94.2Very high96.4Very high17 Ų1750.8 Ų50.818%0.17525%0.249CC..SBendtrans84.8-174.7-172.300000112.1P5 K74P5-G72 WeakPolarHBondContact O-CA 3.29Å; G72-K74 VanDerWaalsContact C-N 3.25Å; G72-K74 PolarHBondContact O-N 3.2Å
73K93.3Very high96.7Very high167 Ų16744.2 Ų44.273%0.72622%0.224SC*.SBendtrans-65.1-29.2-179.5-65.9176.4-178.2170.90113.3
74K94.6Very high97Very high167 Ų16741.6 Ų41.673%0.72621%0.207SC*.SBendtrans-131.888.3177.6-65.7-176.2-179.4-176.70107.8G52 G53 G72G52-K74 CarbonylContact C-O 3.6Å; G52-K74 WeakPolarHBondContact CA-O 3.41Å; G53-K74 PolarHBondContact N-O 3.38Å; G72-K74 VanDerWaalsContact C-N 3.25Å; G72-K74 PolarHBondContact O-N 3.2Å
75P96.6Very high97.2Very high57 Ų5739.4 Ų39.437%0.3719%0.194SC..BIsolated β-bridgetrans-76.1141.6-175.432.5-37.2000111.6G71 Y77G71-P75 WeakPolarHBondContact O-CA 3.3Å; P75-Y77 VanDerWaalsContact C-N 3.32Å; P75-Y77 WeakPolarHBondContact CB-O 3.16Å
76K96.8Very high97.2Very high91 Ų9136.1 Ų36.140%0.39618%0.181SC..SBendtrans-64.9-38.4177177.465.2-176175.60112.4F49 E51 G53F49-K76 HydrophobicContact CB-CD 4.23Å; F49-K76 HydrophobicContact CD2-CB 4.08Å; F49-K76 HydrophobicContact CD2-CD 3.91Å; F49-K76 HydrophobicContact CD2-CG 3.72Å; F49-K76 HydrophobicContact CE2-CB 4.33Å; F49-K76 HydrophobicContact CE2-CG 3.89Å; F49-K76 HydrophobicContact CG-CD 4.1Å; F49-K76 HydrophobicContact CG-CG 4.37Å; E51-K76 WeakPolarHBondContact O-CD 3.29Å; G53-K76 PolarHBondContact O-N 2.98Å
77Y96.6Very high96.9Very high31 Ų3137.5 Ų37.512%0.12219%0.189CC..SBendtrans-123.5155.5-179.3-52.7-67.2000108.9L68 G70 P75 M83L68-Y77 HydrophobicContact CD1-CE2 4.31Å; G70-Y77 WeakPolarHBondContact CA-O 3.18Å; P75-Y77 VanDerWaalsContact C-N 3.32Å; P75-Y77 WeakPolarHBondContact CB-O 3.16Å; Y77-M83 HydrophobicContact CD1-CE 3.56Å; Y77-M83 HydrophobicContact CD1-CG 3.75Å; Y77-M83 HydrophobicContact CD1-SD 4.12Å; Y77-M83 HydrophobicContact CD2-CB 4.44Å; Y77-M83 HydrophobicContact CD2-CG 3.69Å; Y77-M83 HydrophobicContact CE1-CE 3.64Å; Y77-M83 HydrophobicContact CE1-CG 4.07Å; Y77-M83 HydrophobicContact CE2-CB 4.38Å; Y77-M83 HydrophobicContact CE2-CG 4.03Å; Y77-M83 HydrophobicContact CG-CE 4.32Å; Y77-M83 HydrophobicContact CG-CG 3.53Å; Y77-M83 HydrophobicContact CG-SD 4.32Å
78P97.4Very high96.7Very high62 Ų6244.4 Ų44.440%0.40323%0.225SC..  trans-56.5143.2171.3-24.835.4000112N80 K81P78-N80 WeakPolarHBondContact CB-OD1 3.44Å; P78-N80 PolarHBondContact O-N 3.12Å; P78-K81 HydrophobicContact CB-CB 4.4Å; P78-K81 HydrophobicContact CB-CD 4.3Å; P78-K81 HydrophobicContact CB-CG 4.05Å; P78-K81 HydrophobicContact CG-CD 3.93Å; P78-K81 HydrophobicContact CG-CG 4.24Å; P78-K81 PolarHBondContact O-N 3.03Å; P78-K81 VanDerWaalsContact O-N 3.08Å
79T97.1Very high96.5Very high47 Ų4750.3 Ų50.329%0.28825%0.25SS..THydrogen-bonded Turntrans-68.8-13.5-178.855.10000113.1V102T79-V102 PolarHBondContact O-N 2.85Å
80N98.3Very high96.3Very high37 Ų3754.1 Ų54.120%0.19827%0.267CS..THydrogen-bonded Turntrans-9811.2174.869.3-40000113.1P78 F98 T100P78-N80 WeakPolarHBondContact CB-OD1 3.44Å; P78-N80 PolarHBondContact O-N 3.12Å; N80-F98 WeakPolarHBondContact CB-O 3.13Å; N80-F98 PolarHBondContact ND2-O 3.3Å; N80-F98 WeakPolarHBondContact O-CB 3.21Å; N80-F98 WeakPolarHBondContact O-CD2 3Å; N80-F98 PolarHBondContact O-N 3.15Å; N80-T100 WeakPolarHBondContact CA-O 3.45Å; N80-T100 WeakPolarHBondContact CB-O 3.42Å
81K98.4Very high96.2Very high43 Ų4359.5 Ų59.519%0.18729%0.289CS..EExtended strand (participates in β ladder)trans-118.1137.8176.3-68.8-167.6-176.5-151.40111.8P78 M83 I96 E97P78-K81 HydrophobicContact CB-CB 4.4Å; P78-K81 HydrophobicContact CB-CD 4.3Å; P78-K81 HydrophobicContact CB-CG 4.05Å; P78-K81 HydrophobicContact CG-CD 3.93Å; P78-K81 HydrophobicContact CG-CG 4.24Å; P78-K81 PolarHBondContact O-N 3.03Å; P78-K81 VanDerWaalsContact O-N 3.08Å; K81-M83 HydrophobicContact CB-SD 4.16Å; K81-I96 WeakPolarHBondContact CA-O 3.36Å; K81-E97 HydrophobicContact CD-CB 4.4Å; K81-E97 WeakPolarHBondContact CE-OE1 3.33Å; K81-E97 WeakPolarHBondContact CE-OE2 3.49Å; K81-E97 HydrophobicContact CG-CB 4.06Å; K81-E97 HydrophobicContact CG-CG 4.11Å; K81-E97 IonicContact NZ-OE1 2.84Å; K81-E97 IonicContact NZ-OE2 3.2Å; K81-E97 PolarHBondContact NZ-OE2 3.33Å
82V98.8Very high96.2Very high0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-100.4126.3167.7178.80000108.8A67 V69 I84 E95 I96 F98 V102 V105 V114A67-V82 HydrophobicContact CB-CG1 4.21Å; V69-V82 HydrophobicContact CG2-CG2 4.32Å; V82-I84 HydrophobicContact CG1-CD1 4.05Å; V82-E95 WeakPolarHBondContact O-CA 3.44Å; V82-I96 PolarHBondContact N-O 3.06Å; V82-I96 PolarHBondContact O-N 2.83Å; V82-F98 HydrophobicContact CB-CE2 4.41Å; V82-F98 HydrophobicContact CG2-CD2 4.49Å; V82-F98 HydrophobicContact CG2-CE2 3.84Å; V82-V102 HydrophobicContact CG2-CB 4.46Å; V82-V102 HydrophobicContact CG2-CG1 3.97Å; V82-V102 HydrophobicContact CG2-CG2 3.9Å; V82-V105 HydrophobicContact CB-CG2 4.49Å; V82-V105 HydrophobicContact CG1-CG1 4.33Å; V82-V105 HydrophobicContact CG1-CG2 3.98Å; V82-V105 HydrophobicContact CG2-CG2 3.66Å; V82-V114 HydrophobicContact CG2-CG1 3.94Å; V82-V114 HydrophobicContact CG2-CG2 3.97Å
83M98.5Very high96.4Very high7 Ų762.1 Ų62.13%0.03430%0.301CS..EExtended strand (participates in β ladder)trans-110.7116.8177.5-47.9-57.4-83.500108.7A67 L68 Y77 K81 W85 T92 E95A67-M83 WeakPolarHBondContact CA-O 3.45Å; L68-M83 HydrophobicContact CB-CB 4.33Å; L68-M83 PolarHBondContact N-O 2.98Å; L68-M83 PolarHBondContact O-N 3.11Å; Y77-M83 HydrophobicContact CD1-CE 3.56Å; Y77-M83 HydrophobicContact CD1-CG 3.75Å; Y77-M83 HydrophobicContact CD1-SD 4.12Å; Y77-M83 HydrophobicContact CD2-CB 4.44Å; Y77-M83 HydrophobicContact CD2-CG 3.69Å; Y77-M83 HydrophobicContact CE1-CE 3.64Å; Y77-M83 HydrophobicContact CE1-CG 4.07Å; Y77-M83 HydrophobicContact CE2-CB 4.38Å; Y77-M83 HydrophobicContact CE2-CG 4.03Å; Y77-M83 HydrophobicContact CG-CE 4.32Å; Y77-M83 HydrophobicContact CG-CG 3.53Å; Y77-M83 HydrophobicContact CG-SD 4.32Å; K81-M83 HydrophobicContact CB-SD 4.16Å; M83-W85 PolarHBondContact O-N 3.22Å; M83-T92 HydrophobicContact CB-CG2 3.79Å; M83-T92 HydrophobicContact CE-CG2 3.91Å; M83-E95 HydrophobicContact CE-CB 4.45Å; M83-E95 HydrophobicContact CE-CG 3.56Å; M83-E95 WeakPolarHBondContact CE-OE1 3.41Å; M83-E95 HydrophobicContact SD-CB 4.23Å; M83-E95 HydrophobicContact SD-CG 3.91Å
84I98.5Very high96.6Very high0 Ų054.8 Ų54.80%027%0.27CS..EExtended strand (participates in β ladder)trans-86.6110.1170.3-50.9-58.6000108.2Y65 L66 A67 V82 T92 V93 I94 L107 I112 F125Y65-I84 HydrophobicContact CD1-CG2 3.94Å; L66-I84 CarbonylContact O-C 3.57Å; L66-I84 WeakPolarHBondContact O-CA 3.12Å; A67-I84 HydrophobicContact CB-CD1 3.73Å; V82-I84 HydrophobicContact CG1-CD1 4.05Å; I84-T92 CarbonylContact O-C 3.52Å; I84-T92 WeakPolarHBondContact O-CA 3.46Å; I84-T92 WeakPolarHBondContact O-CG2 3.29Å; I84-V93 HydrophobicContact CB-CG2 4.4Å; I84-V93 HydrophobicContact CG2-CG2 4.18Å; I84-V93 VanDerWaalsContact O-CG2 3.31Å; I84-V93 WeakPolarHBondContact O-CG2 3.42Å; I84-V93 PolarHBondContact O-N 2.93Å; I84-I94 HydrophobicContact CB-CB 3.81Å; I84-I94 HydrophobicContact CB-CD1 4.28Å; I84-I94 HydrophobicContact CB-CG1 4.39Å; I84-I94 HydrophobicContact CG1-CB 3.74Å; I84-I94 HydrophobicContact CG1-CD1 4.14Å; I84-I94 HydrophobicContact CG1-CG1 4.48Å; I84-I94 HydrophobicContact CG1-CG2 4.09Å; I84-I94 HydrophobicContact CG2-CD1 4.45Å; I84-I94 PolarHBondContact N-O 2.88Å; I84-L107 HydrophobicContact CD1-CD2 4.32Å; I84-I112 HydrophobicContact CD1-CD1 4.14Å; I84-I112 HydrophobicContact CG1-CD1 4.09Å; I84-F125 HydrophobicContact CG2-CE2 4.32Å; I84-F125 HydrophobicContact CG2-CZ 3.82Å
85W98Very high96.8Very high13 Ų1352.6 Ų52.65%0.04926%0.262CS..EExtended strand (participates in β ladder)trans-88.6129.3178.2178.3-92.4000110.6F33 Q47 F49 Y65 L66 L68 M83 D87 K90 K91F33-W85 HydrophobicContact CE1-CD2 4.4Å; F33-W85 AromaticContact CZ-CD1 3.91Å; F33-W85 HydrophobicContact CZ-CG 4.45Å; F33-W85 AromaticContact CZ-NE1 3.63Å; Q47-W85 HydrophobicContact CG-CH2 4.25Å; Q47-W85 HydrophobicContact CG-CZ2 3.95Å; F49-W85 HydrophobicContact CE1-CH2 4.28Å; F49-W85 HydrophobicContact CE1-CZ3 4.36Å; Y65-W85 WeakPolarHBondContact CA-O 3.15Å; L66-W85 HydrophobicContact CB-CB 4.3Å; L66-W85 PolarHBondContact N-O 2.98Å; L66-W85 PolarHBondContact O-N 2.79Å; L68-W85 HydrophobicContact CD1-CB 3.74Å; L68-W85 HydrophobicContact CD1-CD2 4.39Å; L68-W85 HydrophobicContact CD1-CE3 4.42Å; L68-W85 HydrophobicContact CD1-CG 4.15Å; L68-W85 HydrophobicContact CG-CB 4.1Å; M83-W85 PolarHBondContact O-N 3.22Å; W85-D87 PolarHBondContact NE1-OD1 2.97Å; W85-K90 HydrophobicContact CH2-CB 4.48Å; W85-K90 WeakPolarHBondContact CH2-O 3Å; W85-K90 VanDerWaalsContact CZ2-CA 3.43Å; W85-K90 HydrophobicContact CZ2-CB 4.02Å; W85-K90 HydrophobicContact CZ2-CD 4.27Å; W85-K91 VanDerWaalsContact CE3-C 3.48Å
86D96.9Very high96.9Very high2 Ų250.7 Ų50.71%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-96.6106.4168.5-174.6-25.7000108.4N64 Y65 L88 K89 K90 K91 V93N64-D86 PolarHBondContact ND2-OD1 3.5Å; N64-D86 CarbonylContact O-C 3.52Å; N64-D86 WeakPolarHBondContact O-CA 3.39Å; Y65-D86 HydrophobicContact CD1-CB 4.28Å; Y65-D86 HydrophobicContact CE1-CB 3.85Å; D86-L88 VanDerWaalsContact C-N 3.29Å; D86-L88 PolarHBondContact O-N 3.28Å; D86-L88 WeakPolarHBondContact OD1-CB 3.26Å; D86-L88 PolarHBondContact OD1-N 2.92Å; D86-K89 HydrophobicContact CB-CB 4.16Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 HydrophobicContact CB-CG 4.48Å; D86-K89 CarbonylContact O-C 3.55Å; D86-K89 PolarHBondContact O-N 3.42Å; D86-K89 PolarHBondContact OD1-N 3.16Å; D86-K89 VanDerWaalsContact OD2-CD 3.24Å; D86-K89 WeakPolarHBondContact OD2-CD 3.21Å; D86-K89 VanDerWaalsContact OD2-CE 3.29Å; D86-K89 WeakPolarHBondContact OD2-CE 3.27Å; D86-K89 IonicContact OD2-NZ 3.52Å; D86-K90 WeakPolarHBondContact O-CA 3.4Å; D86-K90 PolarHBondContact O-N 3.34Å; D86-K91 PolarHBondContact N-O 2.91Å; D86-K91 PolarHBondContact O-N 3.46Å; D86-V93 HydrophobicContact CB-CG1 3.59Å; D86-V93 HydrophobicContact CB-CG2 4.14Å
87D92.6Very high97Very high36 Ų3652.2 Ų52.219%0.19326%0.257CS..THydrogen-bonded Turntrans-69.8-26.1-175.8-167.155000113.3N64 W85 K90N64-D87 HydrophobicContact CB-CB 4.28Å; N64-D87 WeakPolarHBondContact O-CB 3.32Å; N64-D87 PolarHBondContact O-N 2.74Å; W85-D87 PolarHBondContact NE1-OD1 2.97Å; D87-K90 VanDerWaalsContact CG-NZ 3.27Å; D87-K90 WeakPolarHBondContact O-CD 3.47Å; D87-K90 WeakPolarHBondContact O-CE 3.21Å; D87-K90 PolarHBondContact O-NZ 2.8Å; D87-K90 IonicContact OD1-NZ 3.3Å; D87-K90 PolarHBondContact OD1-NZ 2.81Å; D87-K90 IonicContact OD2-NZ 3.58Å; D87-K90 PolarHBondContact OD2-NZ 2.94Å
88L93.1Very high97Very high146 Ų14651.3 Ų51.376%0.76425%0.254SS*.THydrogen-bonded Turntrans-70.7-37.2173.8-176.166.4000110.9N64 D86N64-L88 HydrophobicContact CB-CB 4.27Å; D86-L88 VanDerWaalsContact C-N 3.29Å; D86-L88 PolarHBondContact O-N 3.28Å; D86-L88 WeakPolarHBondContact OD1-CB 3.26Å; D86-L88 PolarHBondContact OD1-N 2.92Å
89K95Very high96.9Very high123 Ų12354 Ų5454%0.53527%0.274SS..THydrogen-bonded Turntrans-91.3-6.9179.4-61.7180-169.8162.30113.6D86 K91D86-K89 HydrophobicContact CB-CB 4.16Å; D86-K89 HydrophobicContact CB-CD 4.48Å; D86-K89 HydrophobicContact CB-CG 4.48Å; D86-K89 CarbonylContact O-C 3.55Å; D86-K89 PolarHBondContact O-N 3.42Å; D86-K89 PolarHBondContact OD1-N 3.16Å; D86-K89 VanDerWaalsContact OD2-CD 3.24Å; D86-K89 WeakPolarHBondContact OD2-CD 3.21Å; D86-K89 VanDerWaalsContact OD2-CE 3.29Å; D86-K89 WeakPolarHBondContact OD2-CE 3.27Å; D86-K89 IonicContact OD2-NZ 3.52Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 HydrophobicContact CB-CD 4.46Å; K89-K91 HydrophobicContact CB-CG 3.93Å; K89-K91 PolarHBondContact O-N 2.7Å
90K94Very high96.9Very high86 Ų8654.5 Ų54.537%0.37428%0.278SS..THydrogen-bonded Turntrans48.345-174.6-57.2-66.1176.2-1720112.8E45 W85 D86 D87E45-K90 IonicContact OE1-NZ 2.78Å; E45-K90 PolarHBondContact OE1-NZ 2.94Å; E45-K90 IonicContact OE2-NZ 2.74Å; E45-K90 PolarHBondContact OE2-NZ 2.95Å; W85-K90 HydrophobicContact CH2-CB 4.48Å; W85-K90 WeakPolarHBondContact CH2-O 3Å; W85-K90 VanDerWaalsContact CZ2-CA 3.43Å; W85-K90 HydrophobicContact CZ2-CB 4.02Å; W85-K90 HydrophobicContact CZ2-CD 4.27Å; D86-K90 WeakPolarHBondContact O-CA 3.4Å; D86-K90 PolarHBondContact O-N 3.34Å; D87-K90 VanDerWaalsContact CG-NZ 3.27Å; D87-K90 WeakPolarHBondContact O-CD 3.47Å; D87-K90 WeakPolarHBondContact O-CE 3.21Å; D87-K90 PolarHBondContact O-NZ 2.8Å; D87-K90 IonicContact OD1-NZ 3.3Å; D87-K90 PolarHBondContact OD1-NZ 2.81Å; D87-K90 IonicContact OD2-NZ 3.58Å; D87-K90 PolarHBondContact OD2-NZ 2.94Å
91K95.3Very high96.8Very high116 Ų11657.2 Ų57.250%0.50429%0.289SS..EExtended strand (participates in β ladder)trans-152.8158.4178.571.2178.8-174.11740113.1W85 D86 K89 V93W85-K91 VanDerWaalsContact CE3-C 3.48Å; D86-K91 PolarHBondContact N-O 2.91Å; D86-K91 PolarHBondContact O-N 3.46Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 HydrophobicContact CB-CD 4.46Å; K89-K91 HydrophobicContact CB-CG 3.93Å; K89-K91 PolarHBondContact O-N 2.7Å; K91-V93 HydrophobicContact CG-CG1 4.33Å
92T96.8Very high96.8Very high32 Ų3255.8 Ų55.820%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-69.8135.2166.9-51.10000110.6M83 I84 I94 E95M83-T92 HydrophobicContact CB-CG2 3.79Å; M83-T92 HydrophobicContact CE-CG2 3.91Å; I84-T92 CarbonylContact O-C 3.52Å; I84-T92 WeakPolarHBondContact O-CA 3.46Å; I84-T92 WeakPolarHBondContact O-CG2 3.29Å; T92-I94 VanDerWaalsContact CG2-O 3.27Å; T92-I94 WeakPolarHBondContact CG2-O 3.47Å; T92-E95 HydrophobicContact CG2-CG 3.92Å
93V97.6Very high96.8Very high41 Ų4157.3 Ų57.325%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-116.6-20.8179.9-66.70000113.8Y65 I84 D86 K91Y65-V93 HydrophobicContact CD1-CG2 4.44Å; Y65-V93 HydrophobicContact CE1-CG2 3.97Å; I84-V93 HydrophobicContact CB-CG2 4.4Å; I84-V93 HydrophobicContact CG2-CG2 4.18Å; I84-V93 VanDerWaalsContact O-CG2 3.31Å; I84-V93 WeakPolarHBondContact O-CG2 3.42Å; I84-V93 PolarHBondContact O-N 2.93Å; D86-V93 HydrophobicContact CB-CG1 3.59Å; D86-V93 HydrophobicContact CB-CG2 4.14Å; K91-V93 HydrophobicContact CG-CG1 4.33Å
94I98.2Very high96.8Very high13 Ų1357.2 Ų57.27%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-138.4138.6176.1-59.9164000107.9I84 T92 I96 F125 T126 P129I84-I94 HydrophobicContact CB-CB 3.81Å; I84-I94 HydrophobicContact CB-CD1 4.28Å; I84-I94 HydrophobicContact CB-CG1 4.39Å; I84-I94 HydrophobicContact CG1-CB 3.74Å; I84-I94 HydrophobicContact CG1-CD1 4.14Å; I84-I94 HydrophobicContact CG1-CG1 4.48Å; I84-I94 HydrophobicContact CG1-CG2 4.09Å; I84-I94 HydrophobicContact CG2-CD1 4.45Å; I84-I94 PolarHBondContact N-O 2.88Å; T92-I94 VanDerWaalsContact CG2-O 3.27Å; T92-I94 WeakPolarHBondContact CG2-O 3.47Å; I94-I96 HydrophobicContact CG2-CD1 4.36Å; I94-I96 HydrophobicContact CG2-CG1 3.96Å; I94-F125 HydrophobicContact CD1-CE2 4.33Å; I94-T126 VanDerWaalsContact CD1-O 3.22Å; I94-T126 WeakPolarHBondContact CD1-O 3.46Å; I94-P129 HydrophobicContact CD1-CG 4.38Å; I94-P129 HydrophobicContact CG2-CG 3.34Å
95E98.3Very high96.8Very high121 Ų12157.2 Ų57.257%0.56529%0.29SS*.EExtended strand (participates in β ladder)trans-126.8131.3173.6-54.4-169.7-176.900109.1V82 M83 T92V82-E95 WeakPolarHBondContact O-CA 3.44Å; M83-E95 HydrophobicContact CE-CB 4.45Å; M83-E95 HydrophobicContact CE-CG 3.56Å; M83-E95 WeakPolarHBondContact CE-OE1 3.41Å; M83-E95 HydrophobicContact SD-CB 4.23Å; M83-E95 HydrophobicContact SD-CG 3.91Å; T92-E95 HydrophobicContact CG2-CG 3.92Å
96I98.5Very high96.9Very high18 Ų1858.6 Ų58.69%0.09230%0.297CS..EExtended strand (participates in β ladder)trans-128.6121.9176-45.4177.3000108.2K81 V82 I94 F98 I112 F123 P129K81-I96 WeakPolarHBondContact CA-O 3.36Å; V82-I96 PolarHBondContact N-O 3.06Å; V82-I96 PolarHBondContact O-N 2.83Å; I94-I96 HydrophobicContact CG2-CD1 4.36Å; I94-I96 HydrophobicContact CG2-CG1 3.96Å; I96-F98 HydrophobicContact CB-CE2 3.87Å; I96-F98 HydrophobicContact CB-CZ 4.12Å; I96-F98 HydrophobicContact CG2-CE1 4.24Å; I96-F98 HydrophobicContact CG2-CE2 3.57Å; I96-F98 HydrophobicContact CG2-CZ 3.4Å; I96-F98 WeakPolarHBondContact O-CE2 3.4Å; I96-I112 HydrophobicContact CD1-CD1 4.22Å; I96-I112 HydrophobicContact CD1-CG2 4.38Å; I96-F123 HydrophobicContact CD1-CG 4.38Å; I96-F123 HydrophobicContact CG2-CE1 4.17Å; I96-F123 HydrophobicContact CG2-CZ 4.08Å; I96-P129 HydrophobicContact CD1-CB 3.92Å; I96-P129 HydrophobicContact CD1-CG 3.9Å; I96-P129 HydrophobicContact CG1-CG 4.23Å
97E98.3Very high96.9Very high123 Ų12358.7 Ų58.758%0.57530%0.297SS*.EExtended strand (participates in β ladder)trans-103.4140.1-178.4179.8163.7-164.100111.7K81K81-E97 HydrophobicContact CD-CB 4.4Å; K81-E97 WeakPolarHBondContact CE-OE1 3.33Å; K81-E97 WeakPolarHBondContact CE-OE2 3.49Å; K81-E97 HydrophobicContact CG-CB 4.06Å; K81-E97 HydrophobicContact CG-CG 4.11Å; K81-E97 IonicContact NZ-OE1 2.84Å; K81-E97 IonicContact NZ-OE2 3.2Å; K81-E97 PolarHBondContact NZ-OE2 3.33Å
98F98.3Very high96.9Very high11 Ų1157.5 Ų57.55%0.04829%0.29CS..  trans-124.3158.5-179.2-60.2-87.8000110.5N80 V82 I96 T100 V102 V114 L116 K121 F123N80-F98 WeakPolarHBondContact CB-O 3.13Å; N80-F98 PolarHBondContact ND2-O 3.3Å; N80-F98 WeakPolarHBondContact O-CB 3.21Å; N80-F98 WeakPolarHBondContact O-CD2 3Å; N80-F98 PolarHBondContact O-N 3.15Å; V82-F98 HydrophobicContact CB-CE2 4.41Å; V82-F98 HydrophobicContact CG2-CD2 4.49Å; V82-F98 HydrophobicContact CG2-CE2 3.84Å; I96-F98 HydrophobicContact CB-CE2 3.87Å; I96-F98 HydrophobicContact CB-CZ 4.12Å; I96-F98 HydrophobicContact CG2-CE1 4.24Å; I96-F98 HydrophobicContact CG2-CE2 3.57Å; I96-F98 HydrophobicContact CG2-CZ 3.4Å; I96-F98 WeakPolarHBondContact O-CE2 3.4Å; F98-T100 VanDerWaalsContact C-N 3.29Å; F98-V102 HydrophobicContact CD2-CG2 3.7Å; F98-V102 HydrophobicContact CE2-CG2 4.26Å; F98-V102 HydrophobicContact CG-CG2 4.33Å; F98-V114 HydrophobicContact CD2-CG1 4.25Å; F98-V114 HydrophobicContact CE1-CB 4.2Å; F98-V114 HydrophobicContact CE1-CG1 4.06Å; F98-V114 HydrophobicContact CE2-CB 4.28Å; F98-V114 HydrophobicContact CE2-CG1 3.71Å; F98-V114 HydrophobicContact CE2-CG2 4.09Å; F98-V114 HydrophobicContact CZ-CB 3.73Å; F98-V114 HydrophobicContact CZ-CG1 3.6Å; F98-V114 HydrophobicContact CZ-CG2 3.63Å; F98-L116 HydrophobicContact CB-CD2 4.17Å; F98-L116 HydrophobicContact CD1-CD1 4.01Å; F98-L116 HydrophobicContact CD1-CD2 4.15Å; F98-L116 HydrophobicContact CG-CD2 4.08Å; F98-K121 HydrophobicContact CD1-CD 4Å; F98-K121 HydrophobicContact CE1-CB 4.41Å; F98-K121 HydrophobicContact CE1-CD 3.74Å; F98-F123 AromaticContact CE1-CE2 3.78Å; F98-F123 HydrophobicContact CE1-CE2 3.78Å; F98-F123 AromaticContact CE1-CZ 3.68Å; F98-F123 HydrophobicContact CE1-CZ 3.68Å; F98-F123 AromaticContact CZ-CE2 3.7Å; F98-F123 HydrophobicContact CZ-CE2 3.7Å; F98-F123 AromaticContact CZ-CZ 3.82Å; F98-F123 HydrophobicContact CZ-CZ 3.82Å
99S95Very high96.9Very high118 Ų11859.3 Ų59.383%0.82529%0.287SS*.SBendtrans-78.7-13.217754.40000113.6
100T96.6Very high96.9Very high59 Ų5956 Ų5636%0.36228%0.275SS..SBendtrans-132.1166-179.264.10000110.1N80 F98N80-T100 WeakPolarHBondContact CA-O 3.45Å; N80-T100 WeakPolarHBondContact CB-O 3.42Å; F98-T100 VanDerWaalsContact C-N 3.29Å
101E97Very high97Very high93 Ų9354.2 Ų54.244%0.43527%0.266SS..  trans-58.9142.5176.4-60.6-169.2148.800112.4K103E101-K103 IonicContact OE2-NZ 3.07Å; E101-K103 PolarHBondContact OE2-NZ 3.19Å
102V98.6Very high97.1Very high13 Ų1348.7 Ų48.78%0.07924%0.242CC..  trans-86.3124171.9177.80000108.6V69 T79 V82 F98 V105 V114 L116V69-V102 HydrophobicContact CG1-CB 4.1Å; V69-V102 HydrophobicContact CG2-CB 4.14Å; V69-V102 HydrophobicContact CG2-CG1 3.75Å; T79-V102 PolarHBondContact O-N 2.85Å; V82-V102 HydrophobicContact CG2-CB 4.46Å; V82-V102 HydrophobicContact CG2-CG1 3.97Å; V82-V102 HydrophobicContact CG2-CG2 3.9Å; F98-V102 HydrophobicContact CD2-CG2 3.7Å; F98-V102 HydrophobicContact CE2-CG2 4.26Å; F98-V102 HydrophobicContact CG-CG2 4.33Å; V102-V105 HydrophobicContact CG1-CG2 3.88Å; V102-V114 HydrophobicContact CB-CG1 4.42Å; V102-V114 HydrophobicContact CG1-CG1 3.71Å; V102-V114 HydrophobicContact CG2-CG1 3.92Å; V102-L116 HydrophobicContact CG2-CD2 4.04Å
103K98.3Very high97.2Very high33 Ų3347.1 Ų47.114%0.14323%0.232CC..  trans-93-33.5-178.8-56.5-51.2-173.8-178.70112.8E101 V115 D117E101-K103 IonicContact OE2-NZ 3.07Å; E101-K103 PolarHBondContact OE2-NZ 3.19Å; K103-V115 PolarHBondContact N-O 2.86Å; K103-D117 WeakPolarHBondContact CE-OD1 3.22Å; K103-D117 WeakPolarHBondContact CE-OD2 3.37Å; K103-D117 IonicContact NZ-OD1 3.55Å; K103-D117 IonicContact NZ-OD2 3.44Å; K103-D117 PolarHBondContact NZ-OD2 3.29Å
104A98.5Very high97.3Very high4 Ų445.2 Ų45.23%0.03322%0.221CC..EExtended strand (participates in β ladder)trans-158.2160.9173.500000111.3V115 G143A104-V115 HydrophobicContact CB-CB 4.07Å; A104-V115 HydrophobicContact CB-CG2 4.02Å; A104-V115 PolarHBondContact N-O 3.45Å; A104-V115 PolarHBondContact O-N 3.11Å; A104-G143 VanDerWaalsContact CB-O 3.32Å; A104-G143 WeakPolarHBondContact CB-O 3.48Å
105V98.7Very high97.3Very high0 Ų044.6 Ų44.60%022%0.217CC..EExtended strand (participates in β ladder)trans-125.6143169.3-174.70000108.4H56 E58 A67 V69 V82 V102 L107 I112 V113H56-V105 PolarHBondContact NE2-N 3.19Å; E58-V105 HydrophobicContact CB-CB 4.37Å; E58-V105 WeakPolarHBondContact CB-O 3.31Å; E58-V105 VanDerWaalsContact CG-O 3.22Å; E58-V105 WeakPolarHBondContact CG-O 3.44Å; A67-V105 HydrophobicContact CB-CB 4.04Å; A67-V105 HydrophobicContact CB-CG1 3.58Å; A67-V105 HydrophobicContact CB-CG2 4.47Å; V69-V105 HydrophobicContact CG2-CG2 3.92Å; V82-V105 HydrophobicContact CB-CG2 4.49Å; V82-V105 HydrophobicContact CG1-CG1 4.33Å; V82-V105 HydrophobicContact CG1-CG2 3.98Å; V82-V105 HydrophobicContact CG2-CG2 3.66Å; V102-V105 HydrophobicContact CG1-CG2 3.88Å; V105-L107 HydrophobicContact CG1-CD2 3.99Å; V105-L107 HydrophobicContact CG1-CG 4.44Å; V105-I112 HydrophobicContact CG1-CG2 4.24Å; V105-V113 CarbonylContact C-O 3.53Å; V105-V113 WeakPolarHBondContact CA-O 3.44Å
106K98.5Very high97.3Very high42 Ų4239 Ų3918%0.18319%0.191CC..EExtended strand (participates in β ladder)trans-126.1133.2170.6-62.3-66.5164.3-158.80109.9E58 V113 C145 L147E58-K106 WeakPolarHBondContact OE1-CD 3.48Å; E58-K106 IonicContact OE1-NZ 2.78Å; E58-K106 IonicContact OE2-NZ 2.68Å; E58-K106 PolarHBondContact OE2-NZ 2.65Å; K106-V113 HydrophobicContact CB-CB 4.13Å; K106-V113 PolarHBondContact N-O 3.2Å; K106-V113 PolarHBondContact O-N 3.26Å; K106-C145 VanDerWaalsContact CE-O 3.26Å; K106-C145 WeakPolarHBondContact CE-O 3.3Å; K106-C145 HydrophobicContact CG-CB 4.38Å; K106-L147 HydrophobicContact CB-CB 3.84Å; K106-L147 HydrophobicContact CB-CD2 3.88Å; K106-L147 HydrophobicContact CG-CB 4.38Å
107L97.2Very high97.3Very high4 Ų439.7 Ų39.72%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-114.6140.7-176.3-63.3-175.8000112Q20 E58 L60 A67 I84 V105 I112 F125Q20-L107 PolarHBondContact NE2-O 3.21Å; E58-L107 HydrophobicContact CG-CB 4.31Å; E58-L107 HydrophobicContact CG-CD1 4.46Å; E58-L107 HydrophobicContact CG-CG 3.98Å; L60-L107 HydrophobicContact CB-CB 4.16Å; L60-L107 HydrophobicContact CB-CD1 4.11Å; L60-L107 HydrophobicContact CD1-CB 4.08Å; A67-L107 HydrophobicContact CB-CD1 3.81Å; A67-L107 HydrophobicContact CB-CD2 4.14Å; A67-L107 HydrophobicContact CB-CG 4.11Å; I84-L107 HydrophobicContact CD1-CD2 4.32Å; V105-L107 HydrophobicContact CG1-CD2 3.99Å; V105-L107 HydrophobicContact CG1-CG 4.44Å; L107-I112 HydrophobicContact CD2-CB 4.25Å; L107-I112 HydrophobicContact CD2-CG1 4.01Å; L107-I112 HydrophobicContact CD2-CG2 3.98Å; L107-F125 HydrophobicContact CD1-CE1 4.22Å; L107-F125 HydrophobicContact CD2-CD1 4.3Å; L107-F125 HydrophobicContact CD2-CE1 3.89Å; L107-F125 HydrophobicContact CG-CE1 4.48Å
108R94.3Very high97.2Very high12 Ų1236.8 Ų36.85%0.04519%0.189CC..  trans-127.6171.7160.4-82.917161.7110.2-2.9109L60 D110 R111 F125 L147 C148 N150 N153 S154L60-R108 VanDerWaalsContact CD1-C 3.48Å; R108-D110 IonicContact CZ-OD1 2.93Å; R108-D110 IonicContact NE-OD1 3.62Å; R108-D110 PolarHBondContact NE-OD1 3.09Å; R108-D110 VanDerWaalsContact NE-OD1 3.14Å; R108-D110 IonicContact NH2-OD1 2.74Å; R108-D110 PolarHBondContact O-N 3.37Å; R108-D110 VanDerWaalsContact O-N 3.14Å; R108-R111 HydrophobicContact CB-CB 4.33Å; R108-R111 PolarHBondContact N-O 2.84Å; R108-F125 VanDerWaalsContact O-CD1 3.3Å; R108-F125 WeakPolarHBondContact O-CD1 3.39Å; R108-L147 HydrophobicContact CB-CD2 4.19Å; R108-L147 VanDerWaalsContact CD-CG 3.5Å; R108-L147 HydrophobicContact CG-CD1 4.33Å; R108-L147 HydrophobicContact CG-CD2 3.52Å; R108-L147 HydrophobicContact CG-CG 3.72Å; R108-C148 WeakPolarHBondContact CD-O 3.42Å; R108-C148 PolarHBondContact NH1-O 2.66Å; R108-N150 PolarHBondContact NH1-O 3Å; R108-N153 PolarHBondContact NH1-O 2.96Å; R108-S154 VanDerWaalsContact NH1-CA 3.33Å; R108-S154 PolarHBondContact NH2-OG 3.02Å
109R92.3Very high97.2Very high184 Ų18439.2 Ų39.269%0.69420%0.201SC*.SBendtrans-59.2-24.5176-67.5-175.5179.2166.41113.5
110D93.8Very high97.4Very high54 Ų5433.6 Ų33.629%0.28916%0.162SC..SBendtrans-124.8-3.8-172.168.3-36.4000113.8R108 F125R108-D110 IonicContact CZ-OD1 2.93Å; R108-D110 IonicContact NE-OD1 3.62Å; R108-D110 PolarHBondContact NE-OD1 3.09Å; R108-D110 VanDerWaalsContact NE-OD1 3.14Å; R108-D110 IonicContact NH2-OD1 2.74Å; R108-D110 PolarHBondContact O-N 3.37Å; R108-D110 VanDerWaalsContact O-N 3.14Å; D110-F125 PolarHBondContact O-N 3.39Å
111R96.7Very high97.5Very high47 Ų4733 Ų3318%0.17715%0.154CC..EExtended strand (participates in β ladder)trans-139.4140.4-176.9-61.9-64.9-176.4-73.1-8.5112.4R108 V122 F123 L171R108-R111 HydrophobicContact CB-CB 4.33Å; R108-R111 PolarHBondContact N-O 2.84Å; R111-V122 HydrophobicContact CB-CG1 4.49Å; R111-V122 HydrophobicContact CG-CG1 4.41Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.49Å; R111-L171 HydrophobicContact CG-CD1 4.4Å
112I98.5Very high97.6Very high0 Ų028.6 Ų28.60%013%0.133CC..EExtended strand (participates in β ladder)trans-109.8119.9163.3-56.6168.3000106.3I84 I96 V105 L107 V114 F123 F125 P129I84-I112 HydrophobicContact CD1-CD1 4.14Å; I84-I112 HydrophobicContact CG1-CD1 4.09Å; I96-I112 HydrophobicContact CD1-CD1 4.22Å; I96-I112 HydrophobicContact CD1-CG2 4.38Å; V105-I112 HydrophobicContact CG1-CG2 4.24Å; L107-I112 HydrophobicContact CD2-CB 4.25Å; L107-I112 HydrophobicContact CD2-CG1 4.01Å; L107-I112 HydrophobicContact CD2-CG2 3.98Å; I112-V114 HydrophobicContact CG2-CG2 4.05Å; I112-F123 HydrophobicContact CB-CB 4.3Å; I112-F123 PolarHBondContact N-O 3Å; I112-F123 PolarHBondContact O-N 2.91Å; I112-F125 HydrophobicContact CD1-CD1 4.14Å; I112-F125 HydrophobicContact CD1-CE1 4.5Å; I112-F125 HydrophobicContact CD1-CG 4.17Å; I112-F125 HydrophobicContact CG1-CB 4.09Å; I112-F125 HydrophobicContact CG1-CD1 3.47Å; I112-F125 VanDerWaalsContact CG1-CD1 3.47Å; I112-F125 HydrophobicContact CG1-CE1 4.02Å; I112-F125 HydrophobicContact CG1-CG 3.84Å; I112-P129 HydrophobicContact CD1-CG 4.29Å
113V98.8Very high97.6Very high0 Ų028.7 Ų28.70%013%0.133CC..EExtended strand (participates in β ladder)trans-110.7122.5177.9179.10000108.2V105 K106 I120 V122 L147 L156 L171V105-V113 CarbonylContact C-O 3.53Å; V105-V113 WeakPolarHBondContact CA-O 3.44Å; K106-V113 HydrophobicContact CB-CB 4.13Å; K106-V113 PolarHBondContact N-O 3.2Å; K106-V113 PolarHBondContact O-N 3.26Å; V113-I120 HydrophobicContact CG1-CG2 3.44Å; V113-I120 VanDerWaalsContact CG1-CG2 3.44Å; V113-V122 HydrophobicContact CG1-CG2 4.44Å; V113-V122 HydrophobicContact CG2-CG1 4.28Å; V113-V122 HydrophobicContact CG2-CG2 4.19Å; V113-L147 HydrophobicContact CB-CD2 4.45Å; V113-L147 HydrophobicContact CG2-CD1 4.38Å; V113-L147 HydrophobicContact CG2-CD2 3.79Å; V113-L156 HydrophobicContact CG1-CD1 3.94Å; V113-L156 HydrophobicContact CG1-CD2 4.41Å; V113-L156 HydrophobicContact CG2-CD1 4.46Å; V113-L171 HydrophobicContact CG2-CD1 4.41Å
114V98.9Very high97.6Very high0 Ų028.4 Ų28.40%013%0.134CC..EExtended strand (participates in β ladder)trans-114.4126.3-178.2-1750000109.4V82 F98 V102 I112 L116 I120 K121 F123V82-V114 HydrophobicContact CG2-CG1 3.94Å; V82-V114 HydrophobicContact CG2-CG2 3.97Å; F98-V114 HydrophobicContact CD2-CG1 4.25Å; F98-V114 HydrophobicContact CE1-CB 4.2Å; F98-V114 HydrophobicContact CE1-CG1 4.06Å; F98-V114 HydrophobicContact CE2-CB 4.28Å; F98-V114 HydrophobicContact CE2-CG1 3.71Å; F98-V114 HydrophobicContact CE2-CG2 4.09Å; F98-V114 HydrophobicContact CZ-CB 3.73Å; F98-V114 HydrophobicContact CZ-CG1 3.6Å; F98-V114 HydrophobicContact CZ-CG2 3.63Å; V102-V114 HydrophobicContact CB-CG1 4.42Å; V102-V114 HydrophobicContact CG1-CG1 3.71Å; V102-V114 HydrophobicContact CG2-CG1 3.92Å; I112-V114 HydrophobicContact CG2-CG2 4.05Å; V114-L116 HydrophobicContact CG1-CD2 4.09Å; V114-I120 CarbonylContact O-C 3.56Å; V114-I120 WeakPolarHBondContact O-CA 3.46Å; V114-K121 PolarHBondContact N-O 2.82Å; V114-K121 PolarHBondContact O-N 2.98Å; V114-F123 HydrophobicContact CG2-CD2 4.34Å; V114-F123 HydrophobicContact CG2-CE2 4.2Å
115V98.8Very high97.5Very high0 Ų029.8 Ų29.80%014%0.139CC..EExtended strand (participates in β ladder)trans-102.1121.9-178.5-170.70000109K103 A104 I120 N140 C145K103-V115 PolarHBondContact N-O 2.86Å; A104-V115 HydrophobicContact CB-CB 4.07Å; A104-V115 HydrophobicContact CB-CG2 4.02Å; A104-V115 PolarHBondContact N-O 3.45Å; A104-V115 PolarHBondContact O-N 3.11Å; V115-I120 HydrophobicContact CB-CG1 4.34Å; V115-I120 HydrophobicContact CG1-CD1 4.41Å; V115-I120 HydrophobicContact CG1-CG1 4Å; V115-I120 HydrophobicContact CG2-CD1 4.39Å; V115-I120 HydrophobicContact CG2-CG1 4.18Å; V115-N140 WeakPolarHBondContact CG1-ND2 3.42Å; V115-C145 HydrophobicContact CG2-CB 3.44Å; V115-C145 VanDerWaalsContact CG2-CB 3.44Å
116L98.6Very high97.4Very high3 Ų333 Ų332%0.01616%0.159CC..  trans-108-176.7174.5-52.3-179.8000109.6F98 V102 V114 S118 M119 K121F98-L116 HydrophobicContact CB-CD2 4.17Å; F98-L116 HydrophobicContact CD1-CD1 4.01Å; F98-L116 HydrophobicContact CD1-CD2 4.15Å; F98-L116 HydrophobicContact CG-CD2 4.08Å; V102-L116 HydrophobicContact CG2-CD2 4.04Å; V114-L116 HydrophobicContact CG1-CD2 4.09Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 3.33Å; L116-M119 WeakPolarHBondContact CA-O 3.03Å; L116-M119 HydrophobicContact CB-CG 4.08Å; L116-M119 WeakPolarHBondContact CB-O 3.42Å; L116-M119 HydrophobicContact CD1-CG 3.83Å; L116-M119 HydrophobicContact CD1-SD 4.13Å; L116-M119 HydrophobicContact CG-CG 4.33Å; L116-M119 PolarHBondContact N-O 3.22Å; L116-K121 HydrophobicContact CD1-CD 4.27Å
117D97.1Very high97.1Very high34 Ų3438.2 Ų38.218%0.18218%0.184CC..SBendtrans-62.3-32-177.2-89.1-50.3000114.6K103 Y139 N140K103-D117 WeakPolarHBondContact CE-OD1 3.22Å; K103-D117 WeakPolarHBondContact CE-OD2 3.37Å; K103-D117 IonicContact NZ-OD1 3.55Å; K103-D117 IonicContact NZ-OD2 3.44Å; K103-D117 PolarHBondContact NZ-OD2 3.29Å; D117-Y139 HydrophobicContact CB-CD2 4.19Å; D117-Y139 HydrophobicContact CB-CE2 3.88Å; D117-Y139 CarbonylContact O-C 3.59Å; D117-Y139 WeakPolarHBondContact O-CA 3.34Å; D117-Y139 WeakPolarHBondContact OD1-CE2 3.5Å; D117-N140 PolarHBondContact O-N 3.41Å
118S97.4Very high97.1Very high62 Ų6243 Ų4343%0.43421%0.21SC..SBendtrans-140.29.8-175.759.80000113.7L116 T137L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 3.33Å; S118-T137 WeakPolarHBondContact CA-OG1 3.31Å; S118-T137 PolarHBondContact O-N 3.26Å; S118-T137 PolarHBondContact O-OG1 3.32Å
119M98.3Very high97.2Very high61 Ų6144.1 Ų44.130%0.322%0.218SC..EExtended strand (participates in β ladder)trans-155.9158.6178.466.8-176.772.600111.8L116 V134 F135 T137L116-M119 WeakPolarHBondContact CA-O 3.03Å; L116-M119 HydrophobicContact CB-CG 4.08Å; L116-M119 WeakPolarHBondContact CB-O 3.42Å; L116-M119 HydrophobicContact CD1-CG 3.83Å; L116-M119 HydrophobicContact CD1-SD 4.13Å; L116-M119 HydrophobicContact CG-CG 4.33Å; L116-M119 PolarHBondContact N-O 3.22Å; M119-V134 HydrophobicContact CB-CG1 4.26Å; M119-V134 HydrophobicContact SD-CG1 4.15Å; M119-F135 CarbonylContact C-O 3.53Å; M119-F135 WeakPolarHBondContact CA-O 3.35Å; M119-F135 WeakPolarHBondContact CB-O 3.12Å; M119-T137 PolarHBondContact N-OG1 2.95Å
120I98.8Very high97.5Very high0 Ų041.1 Ų41.10%021%0.212CC..EExtended strand (participates in β ladder)trans-117.6133.5171.4-68.5172.5000108.3V113 V114 V115 V134 F135 T137 C145 L156 F158V113-I120 HydrophobicContact CG1-CG2 3.44Å; V113-I120 VanDerWaalsContact CG1-CG2 3.44Å; V114-I120 CarbonylContact O-C 3.56Å; V114-I120 WeakPolarHBondContact O-CA 3.46Å; V115-I120 HydrophobicContact CB-CG1 4.34Å; V115-I120 HydrophobicContact CG1-CD1 4.41Å; V115-I120 HydrophobicContact CG1-CG1 4Å; V115-I120 HydrophobicContact CG2-CD1 4.39Å; V115-I120 HydrophobicContact CG2-CG1 4.18Å; I120-V134 CarbonylContact O-C 3.57Å; I120-V134 WeakPolarHBondContact O-CA 3.43Å; I120-F135 PolarHBondContact N-O 2.91Å; I120-F135 PolarHBondContact O-N 2.87Å; I120-T137 HydrophobicContact CD1-CG2 3.96Å; I120-T137 HydrophobicContact CG1-CG2 3.98Å; I120-C145 HydrophobicContact CD1-CB 4.28Å; I120-L156 HydrophobicContact CG2-CD2 4.3Å; I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.85Å; I120-F158 HydrophobicContact CD1-CD2 3.99Å; I120-F158 HydrophobicContact CD1-CG 3.46Å; I120-F158 VanDerWaalsContact CD1-CG 3.46Å
121K98.8Very high97.7Very high47 Ų4743 Ų4320%0.20422%0.219CC..EExtended strand (participates in β ladder)trans-114.5131.8176.7-66-175.4165.2-157.30110.1F98 V114 L116 F123 H133 V134F98-K121 HydrophobicContact CD1-CD 4Å; F98-K121 HydrophobicContact CE1-CB 4.41Å; F98-K121 HydrophobicContact CE1-CD 3.74Å; V114-K121 PolarHBondContact N-O 2.82Å; V114-K121 PolarHBondContact O-N 2.98Å; L116-K121 HydrophobicContact CD1-CD 4.27Å; K121-F123 HydrophobicContact CB-CD2 4.38Å; K121-F123 HydrophobicContact CB-CE2 3.5Å; K121-F123 VanDerWaalsContact CB-CE2 3.5Å; K121-F123 HydrophobicContact CB-CZ 4.01Å; K121-F123 HydrophobicContact CD-CZ 4.32Å; K121-H133 WeakPolarHBondContact CA-O 3.48Å; K121-V134 HydrophobicContact CG-CG1 4.37Å; K121-V134 HydrophobicContact CG-CG2 4.23Å
122V98.8Very high97.8Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-110.8129.8-179.7-176.90000109.2R111 V113 L132 H133 F135 L156 L171R111-V122 HydrophobicContact CB-CG1 4.49Å; R111-V122 HydrophobicContact CG-CG1 4.41Å; V113-V122 HydrophobicContact CG1-CG2 4.44Å; V113-V122 HydrophobicContact CG2-CG1 4.28Å; V113-V122 HydrophobicContact CG2-CG2 4.19Å; V122-L132 PolarHBondContact O-N 3.11Å; V122-H133 HydrophobicContact CB-CB 4.2Å; V122-H133 HydrophobicContact CG2-CB 4.38Å; V122-H133 PolarHBondContact N-O 3.18Å; V122-H133 PolarHBondContact O-N 3.43Å; V122-F135 HydrophobicContact CG2-CD2 4.24Å; V122-F135 HydrophobicContact CG2-CE2 3.84Å; V122-L156 HydrophobicContact CG2-CD2 4.06Å; V122-L171 HydrophobicContact CG1-CD1 4.25Å; V122-L171 HydrophobicContact CG1-CD2 4.43Å; V122-L171 HydrophobicContact CG2-CD2 4.17Å
123F98.8Very high97.8Very high15 Ų1546.3 Ų46.37%0.06624%0.238CC..EExtended strand (participates in β ladder)trans-124157.1-180-58.8-101.2000111.3I96 F98 R111 I112 V114 K121 P129 H130 Q131I96-F123 HydrophobicContact CD1-CG 4.38Å; I96-F123 HydrophobicContact CG2-CE1 4.17Å; I96-F123 HydrophobicContact CG2-CZ 4.08Å; F98-F123 AromaticContact CE1-CE2 3.78Å; F98-F123 HydrophobicContact CE1-CE2 3.78Å; F98-F123 AromaticContact CE1-CZ 3.68Å; F98-F123 HydrophobicContact CE1-CZ 3.68Å; F98-F123 AromaticContact CZ-CE2 3.7Å; F98-F123 HydrophobicContact CZ-CE2 3.7Å; F98-F123 AromaticContact CZ-CZ 3.82Å; F98-F123 HydrophobicContact CZ-CZ 3.82Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.49Å; I112-F123 HydrophobicContact CB-CB 4.3Å; I112-F123 PolarHBondContact N-O 3Å; I112-F123 PolarHBondContact O-N 2.91Å; V114-F123 HydrophobicContact CG2-CD2 4.34Å; V114-F123 HydrophobicContact CG2-CE2 4.2Å; K121-F123 HydrophobicContact CB-CD2 4.38Å; K121-F123 HydrophobicContact CB-CE2 3.5Å; K121-F123 VanDerWaalsContact CB-CE2 3.5Å; K121-F123 HydrophobicContact CB-CZ 4.01Å; K121-F123 HydrophobicContact CD-CZ 4.32Å; F123-P129 HydrophobicContact CB-CB 4.03Å; F123-P129 HydrophobicContact CD1-CB 4.28Å; F123-H130 CarbonylContact C-O 3.6Å; F123-H130 WeakPolarHBondContact CA-O 3.33Å; F123-Q131 HydrophobicContact CD1-CB 3.82Å; F123-Q131 HydrophobicContact CD1-CG 4.29Å; F123-Q131 HydrophobicContact CE1-CB 3.58Å; F123-Q131 HydrophobicContact CE1-CG 3.88Å; F123-Q131 HydrophobicContact CZ-CB 4.28Å; F123-Q131 HydrophobicContact CZ-CG 4.06Å
124T97.9Very high97.8Very high28 Ų2849.5 Ų49.517%0.17226%0.257CS..EExtended strand (participates in β ladder)trans-66140.9165.459.30000110.8T126 P129 H130 L132T124-T126 VanDerWaalsContact C-N 3.35Å; T124-T126 PolarHBondContact O-N 3.45Å; T124-T126 PolarHBondContact OG1-OG1 2.81Å; T124-P129 WeakPolarHBondContact O-CB 3.27Å; T124-H130 HydrophobicContact CG2-CB 4.46Å; T124-H130 PolarHBondContact N-O 2.88Å; T124-H130 PolarHBondContact OG1-N 2.77Å; T124-L132 HydrophobicContact CG2-CD1 3.82Å; T124-L132 HydrophobicContact CG2-CD2 3.81Å; T124-L132 HydrophobicContact CG2-CG 3.94Å
125F96.6Very high97.8Very high33 Ų3350.9 Ų50.915%0.14526%0.263CS..SBendtrans-86.378.9169.5-156128.5000109.5L60 Y65 I84 I94 L107 R108 D110 I112L60-F125 HydrophobicContact CD2-CE1 4.18Å; Y65-F125 HydrophobicContact CD2-CE2 4.43Å; Y65-F125 HydrophobicContact CD2-CZ 4.31Å; Y65-F125 HydrophobicContact CG-CE2 4.44Å; Y65-F125 HydrophobicContact CG-CZ 4.05Å; I84-F125 HydrophobicContact CG2-CE2 4.32Å; I84-F125 HydrophobicContact CG2-CZ 3.82Å; I94-F125 HydrophobicContact CD1-CE2 4.33Å; L107-F125 HydrophobicContact CD1-CE1 4.22Å; L107-F125 HydrophobicContact CD2-CD1 4.3Å; L107-F125 HydrophobicContact CD2-CE1 3.89Å; L107-F125 HydrophobicContact CG-CE1 4.48Å; R108-F125 VanDerWaalsContact O-CD1 3.3Å; R108-F125 WeakPolarHBondContact O-CD1 3.39Å; D110-F125 PolarHBondContact O-N 3.39Å; I112-F125 HydrophobicContact CD1-CD1 4.14Å; I112-F125 HydrophobicContact CD1-CE1 4.5Å; I112-F125 HydrophobicContact CD1-CG 4.17Å; I112-F125 HydrophobicContact CG1-CB 4.09Å; I112-F125 HydrophobicContact CG1-CD1 3.47Å; I112-F125 VanDerWaalsContact CG1-CD1 3.47Å; I112-F125 HydrophobicContact CG1-CE1 4.02Å; I112-F125 HydrophobicContact CG1-CG 3.84Å
126T96.6Very high97.7Very high67 Ų6757.7 Ų57.741%0.41130%0.295SS..SBendtrans-134.8171.4177.461.40000110I94 T124 N128 P129I94-T126 VanDerWaalsContact CD1-O 3.22Å; I94-T126 WeakPolarHBondContact CD1-O 3.46Å; T124-T126 VanDerWaalsContact C-N 3.35Å; T124-T126 PolarHBondContact O-N 3.45Å; T124-T126 PolarHBondContact OG1-OG1 2.81Å; T126-N128 PolarHBondContact O-N 3.14Å; T126-N128 PolarHBondContact OG1-O 2.83Å; T126-P129 WeakPolarHBondContact O-CD 3.23Å
127H92.3Very high97.7Very high151 Ų15158.1 Ų58.170%0.69930%0.298SS*.SBendtrans-54.3-36.3177.9-177.5-77000112.8P129H127-P129 WeakPolarHBondContact O-CD 3.39Å
128N96.3Very high97.7Very high106 Ų10658.2 Ų58.257%0.56730%0.301SS*.SBendtrans-117.389.9174.3-61.3-29.7000108T126 H130T126-N128 PolarHBondContact O-N 3.14Å; T126-N128 PolarHBondContact OG1-O 2.83Å; N128-H130 PolarHBondContact O-CE1 2.95Å; N128-H130 VanDerWaalsContact O-CE1 3.23Å; N128-H130 PolarHBondContact O-N 2.86Å; N128-H130 PolarHBondContact O-ND1 3.49Å
129P98.2Very high97.7Very high34 Ų3462.7 Ų62.722%0.22131%0.309CS..PPolyproline II helixtrans-58.8127.5-178.6-22.731.5000111.8I94 I96 I112 F123 T124 T126 H127I94-P129 HydrophobicContact CD1-CG 4.38Å; I94-P129 HydrophobicContact CG2-CG 3.34Å; I96-P129 HydrophobicContact CD1-CB 3.92Å; I96-P129 HydrophobicContact CD1-CG 3.9Å; I96-P129 HydrophobicContact CG1-CG 4.23Å; I112-P129 HydrophobicContact CD1-CG 4.29Å; F123-P129 HydrophobicContact CB-CB 4.03Å; F123-P129 HydrophobicContact CD1-CB 4.28Å; T124-P129 WeakPolarHBondContact O-CB 3.27Å; T126-P129 WeakPolarHBondContact O-CD 3.23Å; H127-P129 WeakPolarHBondContact O-CD 3.39Å
130H98.1Very high97.7Very high121 Ų12160 Ų6056%0.5630%0.296SS*.PPolyproline II helixtrans-103.1130.9173.6-66.775.5000108.8F123 T124 N128 L132F123-H130 CarbonylContact C-O 3.6Å; F123-H130 WeakPolarHBondContact CA-O 3.33Å; T124-H130 HydrophobicContact CG2-CB 4.46Å; T124-H130 PolarHBondContact N-O 2.88Å; T124-H130 PolarHBondContact OG1-N 2.77Å; N128-H130 PolarHBondContact O-CE1 2.95Å; N128-H130 VanDerWaalsContact O-CE1 3.23Å; N128-H130 PolarHBondContact O-N 2.86Å; N128-H130 PolarHBondContact O-ND1 3.49Å; H130-L132 PolarHBondContact O-N 3.15Å
131Q98.4Very high97.6Very high95 Ų9563 Ų6344%0.44432%0.315SS..EExtended strand (participates in β ladder)trans-68.8124.5174.6-165.4-173.7-90.600109F123 V134F123-Q131 HydrophobicContact CD1-CB 3.82Å; F123-Q131 HydrophobicContact CD1-CG 4.29Å; F123-Q131 HydrophobicContact CE1-CB 3.58Å; F123-Q131 HydrophobicContact CE1-CG 3.88Å; F123-Q131 HydrophobicContact CZ-CB 4.28Å; F123-Q131 HydrophobicContact CZ-CG 4.06Å; Q131-V134 VanDerWaalsContact NE2-CG2 3.31Å
132L98.1Very high97.4Very high67 Ų6764.9 Ų64.935%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-99.7-48.1-179.9-61.2178000111.5V122 T124 H130V122-L132 PolarHBondContact O-N 3.11Å; T124-L132 HydrophobicContact CG2-CD1 3.82Å; T124-L132 HydrophobicContact CG2-CD2 3.81Å; T124-L132 HydrophobicContact CG2-CG 3.94Å; H130-L132 PolarHBondContact O-N 3.15Å
133H98.2Very high97.4Very high48 Ų4865.1 Ų65.122%0.22233%0.327CS..EExtended strand (participates in β ladder)trans-140.9153.4-172.6-52-67.2000111.8K121 V122 F135 T174K121-H133 WeakPolarHBondContact CA-O 3.48Å; V122-H133 HydrophobicContact CB-CB 4.2Å; V122-H133 HydrophobicContact CG2-CB 4.38Å; V122-H133 PolarHBondContact N-O 3.18Å; V122-H133 PolarHBondContact O-N 3.43Å; H133-F135 HydrophobicContact CB-CD2 4.5Å; H133-F135 HydrophobicContact CB-CE2 3.74Å; H133-F135 HydrophobicContact CB-CZ 3.75Å; H133-T174 PolarHBondContact CE1-OG1 2.81Å
134V98.3Very high97.4Very high67 Ų6765.5 Ų65.541%0.40633%0.329SS..EExtended strand (participates in β ladder)trans-129.3128.6168.5-174.20000107.3M119 I120 K121 Q131M119-V134 HydrophobicContact CB-CG1 4.26Å; M119-V134 HydrophobicContact SD-CG1 4.15Å; I120-V134 CarbonylContact O-C 3.57Å; I120-V134 WeakPolarHBondContact O-CA 3.43Å; K121-V134 HydrophobicContact CG-CG1 4.37Å; K121-V134 HydrophobicContact CG-CG2 4.23Å; Q131-V134 VanDerWaalsContact NE2-CG2 3.31Å
135F98.4Very high97.4Very high29 Ų2964.6 Ų64.613%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-118.2127.6174.8-57.6-71.1000108.9M119 I120 V122 H133 L156 F158 V169 L171M119-F135 CarbonylContact C-O 3.53Å; M119-F135 WeakPolarHBondContact CA-O 3.35Å; M119-F135 WeakPolarHBondContact CB-O 3.12Å; I120-F135 PolarHBondContact N-O 2.91Å; I120-F135 PolarHBondContact O-N 2.87Å; V122-F135 HydrophobicContact CG2-CD2 4.24Å; V122-F135 HydrophobicContact CG2-CE2 3.84Å; H133-F135 HydrophobicContact CB-CD2 4.5Å; H133-F135 HydrophobicContact CB-CE2 3.74Å; H133-F135 HydrophobicContact CB-CZ 3.75Å; F135-L156 HydrophobicContact CD2-CD2 3.99Å; F135-L156 HydrophobicContact CE2-CD2 3.9Å; F135-F158 HydrophobicContact CB-CE1 4.25Å; F135-F158 HydrophobicContact CB-CE2 3.83Å; F135-F158 HydrophobicContact CB-CZ 3.48Å; F135-F158 VanDerWaalsContact CB-CZ 3.48Å; F135-F158 HydrophobicContact CD1-CZ 4.14Å; F135-F158 HydrophobicContact CD2-CE1 4.23Å; F135-F158 HydrophobicContact CD2-CZ 4.19Å; F135-F158 HydrophobicContact CG-CE1 4.18Å; F135-F158 AromaticContact CG-CZ 3.68Å; F135-F158 HydrophobicContact CG-CZ 3.68Å; F135-V169 HydrophobicContact CD1-CG2 4.26Å; F135-V169 HydrophobicContact CE1-CB 4.47Å; F135-V169 HydrophobicContact CE1-CG1 4.01Å; F135-V169 HydrophobicContact CE1-CG2 3.92Å; F135-V169 HydrophobicContact CZ-CB 4.33Å; F135-V169 HydrophobicContact CZ-CG1 3.78Å; F135-V169 HydrophobicContact CZ-CG2 4.23Å; F135-L171 HydrophobicContact CE2-CD2 3.98Å; F135-L171 HydrophobicContact CZ-CD2 4.23Å
136E98.2Very high97.5Very high144 Ų14464 Ų6467%0.67332%0.322SS*.EExtended strand (participates in β ladder)trans-74.2145.7172.4-64-175.7164.300110.3T161E136-T161 HydrophobicContact CB-CG2 4.04Å
137T98.4Very high97.6Very high11 Ų1161.6 Ų61.67%0.06731%0.307CS..  trans-128.4165.4175.868.50000109.4S118 M119 I120 F158 P159S118-T137 WeakPolarHBondContact CA-OG1 3.31Å; S118-T137 PolarHBondContact O-N 3.26Å; S118-T137 PolarHBondContact O-OG1 3.32Å; M119-T137 PolarHBondContact N-OG1 2.95Å; I120-T137 HydrophobicContact CD1-CG2 3.96Å; I120-T137 HydrophobicContact CG1-CG2 3.98Å; T137-F158 HydrophobicContact CG2-CD2 3.69Å; T137-F158 HydrophobicContact CG2-CE2 4.22Å; T137-F158 HydrophobicContact CG2-CG 4.49Å; T137-P159 WeakPolarHBondContact CB-O 3.3Å
138C97.6Very high97.8Very high37 Ų3754.4 Ų54.425%0.2527%0.274CS..SBendtrans-59.7173.6156.871.60000109.9N140 P159 G160C138-N140 PolarHBondContact O-N 3.07Å; C138-N140 VanDerWaalsContact O-N 3.1Å; C138-P159 VanDerWaalsContact SG-CB 3.59Å; C138-G160 VanDerWaalsContact CB-O 3.26Å; C138-G160 WeakPolarHBondContact CB-O 3.47Å; C138-G160 PolarHBondContact N-O 2.99Å
139Y97.7Very high97.5Very high156 Ų15650.4 Ų50.461%0.61225%0.254SS*.  trans-56.4120.9170.6-174.2-122.6000110.2D117 P141D117-Y139 HydrophobicContact CB-CD2 4.19Å; D117-Y139 HydrophobicContact CB-CE2 3.88Å; D117-Y139 CarbonylContact O-C 3.59Å; D117-Y139 WeakPolarHBondContact O-CA 3.34Å; D117-Y139 WeakPolarHBondContact OD1-CE2 3.5Å; Y139-P141 HydrophobicContact CD1-CB 4.47Å; Y139-P141 HydrophobicContact CD1-CG 3.98Å; Y139-P141 HydrophobicContact CE1-CB 3.76Å; Y139-P141 HydrophobicContact CE1-CG 3.67Å; Y139-P141 VanDerWaalsContact O-CD 3.32Å; Y139-P141 WeakPolarHBondContact O-CD 3.44Å
140N97.8Very high97Very high4 Ų451.5 Ų51.52%0.02126%0.258CS..  trans-124.161.2-168.8-168.88.4000111.9V115 D117 C138 K142 G143 L144V115-N140 WeakPolarHBondContact CG1-ND2 3.42Å; D117-N140 PolarHBondContact O-N 3.41Å; C138-N140 PolarHBondContact O-N 3.07Å; C138-N140 VanDerWaalsContact O-N 3.1Å; N140-K142 PolarHBondContact O-N 2.78Å; N140-K142 VanDerWaalsContact O-N 3.16Å; N140-G143 PolarHBondContact O-N 3.28Å; N140-G143 PolarHBondContact OD1-N 3.21Å; N140-L144 PolarHBondContact ND2-N 3.1Å; N140-L144 PolarHBondContact ND2-O 3.26Å; N140-L144 WeakPolarHBondContact OD1-CB 3.33Å; N140-L144 PolarHBondContact OD1-N 3.48Å
141P95.8Very high96.4Very high62 Ų6249.9 Ų49.940%0.40326%0.26SS..THydrogen-bonded Turntrans-65.6-23.9-173.827.2-35.4000113Y139 G143Y139-P141 HydrophobicContact CD1-CB 4.47Å; Y139-P141 HydrophobicContact CD1-CG 3.98Å; Y139-P141 HydrophobicContact CE1-CB 3.76Å; Y139-P141 HydrophobicContact CE1-CG 3.67Å; Y139-P141 VanDerWaalsContact O-CD 3.32Å; Y139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-G143 VanDerWaalsContact C-N 3.31Å
142K95.8Very high96Very high87 Ų8752.5 Ų52.538%0.37828%0.277SS..THydrogen-bonded Turntrans-83.8-4.9177.3-63.2-171.2-178.2-169.50113.1N140 L144 N232N140-K142 PolarHBondContact O-N 2.78Å; N140-K142 VanDerWaalsContact O-N 3.16Å; K142-L144 VanDerWaalsContact C-N 3.29Å; K142-L144 HydrophobicContact CB-CD2 3.85Å; K142-L144 HydrophobicContact CB-CG 3.97Å; K142-L144 PolarHBondContact O-N 2.84Å; K142-N232 PolarHBondContact NZ-OD1 2.94Å
143G97.8Very high95.7Very high6 Ų650.9 Ų50.96%0.06227%0.269CS..  trans6136.4-177.100000113.1A104 N140 P141 C145A104-G143 VanDerWaalsContact CB-O 3.32Å; A104-G143 WeakPolarHBondContact CB-O 3.48Å; N140-G143 PolarHBondContact O-N 3.28Å; N140-G143 PolarHBondContact OD1-N 3.21Å; P141-G143 VanDerWaalsContact C-N 3.31Å; G143-C145 PolarHBondContact O-N 2.85Å
144L98.6Very high95.5Very high23 Ų2349.1 Ų49.112%0.1226%0.262CS..  trans-63.4118.5-178.9-57.6-177.2000109.8N140 K142 P159 L188 I191N140-L144 PolarHBondContact ND2-N 3.1Å; N140-L144 PolarHBondContact ND2-O 3.26Å; N140-L144 WeakPolarHBondContact OD1-CB 3.33Å; N140-L144 PolarHBondContact OD1-N 3.48Å; K142-L144 VanDerWaalsContact C-N 3.29Å; K142-L144 HydrophobicContact CB-CD2 3.85Å; K142-L144 HydrophobicContact CB-CG 3.97Å; K142-L144 PolarHBondContact O-N 2.84Å; L144-P159 HydrophobicContact CB-CG 3.69Å; L144-P159 HydrophobicContact CD1-CG 4.11Å; L144-P159 HydrophobicContact CG-CG 4.44Å; L144-P159 WeakPolarHBondContact O-CD 3.2Å; L144-L188 HydrophobicContact CD1-CB 3.87Å; L144-L188 WeakPolarHBondContact CD1-O 3.26Å; L144-I191 HydrophobicContact CB-CD1 4.23Å
145C98.6Very high95.5Very high8 Ų847 Ų475%0.05425%0.248CC..  trans-167.4136.7178.8179.50000108.4K106 V115 I120 G143 L156 A157K106-C145 VanDerWaalsContact CE-O 3.26Å; K106-C145 WeakPolarHBondContact CE-O 3.3Å; K106-C145 HydrophobicContact CG-CB 4.38Å; V115-C145 HydrophobicContact CG2-CB 3.44Å; V115-C145 VanDerWaalsContact CG2-CB 3.44Å; I120-C145 HydrophobicContact CD1-CB 4.28Å; G143-C145 PolarHBondContact O-N 2.85Å; C145-L156 WeakPolarHBondContact SG-CD1 3.44Å; C145-A157 WeakPolarHBondContact CA-O 3.47Å
146V98.6Very high95.5Very high20 Ų2045.7 Ų45.712%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-127.9137.6173.6-64.60000109.4A157 I191 L193 I200V146-A157 HydrophobicContact CG2-CB 3.57Å; V146-A157 PolarHBondContact N-O 3.07Å; V146-A157 PolarHBondContact O-N 3.21Å; V146-I191 HydrophobicContact CG1-CB 4.44Å; V146-I191 HydrophobicContact CG1-CG2 4.09Å; V146-I191 WeakPolarHBondContact CG1-O 3.35Å; V146-I191 HydrophobicContact CG2-CG2 3.89Å; V146-L193 HydrophobicContact CB-CB 3.93Å; V146-L193 HydrophobicContact CG2-CB 3.83Å; V146-I200 HydrophobicContact CG2-CD1 4.12Å
147L98.2Very high95.6Very high18 Ų1838.9 Ų38.99%0.09421%0.211CC..EExtended strand (participates in β ladder)trans-125.4123.4-177.2179.560.3000107.8K106 R108 V113 P149 L156 L171K106-L147 HydrophobicContact CB-CB 3.84Å; K106-L147 HydrophobicContact CB-CD2 3.88Å; K106-L147 HydrophobicContact CG-CB 4.38Å; R108-L147 HydrophobicContact CB-CD2 4.19Å; R108-L147 VanDerWaalsContact CD-CG 3.5Å; R108-L147 HydrophobicContact CG-CD1 4.33Å; R108-L147 HydrophobicContact CG-CD2 3.52Å; R108-L147 HydrophobicContact CG-CG 3.72Å; V113-L147 HydrophobicContact CB-CD2 4.45Å; V113-L147 HydrophobicContact CG2-CD1 4.38Å; V113-L147 HydrophobicContact CG2-CD2 3.79Å; L147-P149 WeakPolarHBondContact O-CD 2.92Å; L147-L156 HydrophobicContact CB-CD1 4.46Å; L147-L156 HydrophobicContact CD1-CB 4.26Å; L147-L156 HydrophobicContact CD1-CD1 4.16Å; L147-L171 HydrophobicContact CD1-CD1 3.83Å
148C96.9Very high95.6Very high0 Ų038.3 Ų38.30%021%0.207CC..  trans-62.9127.6178.9-1710000109.3R108 N153 L155 L193 G197R108-C148 WeakPolarHBondContact CD-O 3.42Å; R108-C148 PolarHBondContact NH1-O 2.66Å; C148-N153 WeakPolarHBondContact CB-O 3.48Å; C148-N153 PolarHBondContact SG-O 3.2Å; C148-L155 HydrophobicContact CB-CB 4.18Å; C148-L155 WeakPolarHBondContact CB-O 3.4Å; C148-L155 PolarHBondContact N-O 2.82Å; C148-L193 HydrophobicContact CB-CD2 3.67Å; C148-G197 VanDerWaalsContact SG-CA 3.6Å
149P88.9Confident95.6Very high21 Ų2136.8 Ų36.814%0.13620%0.197CC..  trans-89.5-6.4-176.339.5-40.8000112.8Q20 F61 L147 L195Q20-P149 HydrophobicContact CB-CB 3.71Å; Q20-P149 HydrophobicContact CB-CG 4.03Å; Q20-P149 HydrophobicContact CG-CB 3.55Å; Q20-P149 HydrophobicContact CG-CG 4.32Å; F61-P149 HydrophobicContact CE1-CB 4.21Å; F61-P149 HydrophobicContact CE2-CB 4.01Å; F61-P149 HydrophobicContact CZ-CB 3.52Å; F61-P149 HydrophobicContact CZ-CG 4.34Å; F61-P149 WeakPolarHBondContact CZ-O 3.36Å; L147-P149 WeakPolarHBondContact O-CD 2.92Å; P149-L195 HydrophobicContact CG-CD2 4.05Å
150N89.4Confident95.7Very high57 Ų5729.4 Ų29.431%0.30517%0.168SC..  trans-68.6138.2-179.6-174.7-45.2000111.4R108 N152 N153R108-N150 PolarHBondContact NH1-O 3Å; N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.1Å; N150-N152 PolarHBondContact OD1-N 3.5Å; N150-N153 HydrophobicContact CB-CB 4.15Å; N150-N153 PolarHBondContact O-N 2.93Å
151S85.5Confident95.6Very high88 Ų8832.6 Ų32.662%0.61519%0.188SC*.THydrogen-bonded Turntrans-62.7-32.2-178.955.60000113.5
152N89.5Confident95.7Very high150 Ų15035.4 Ų35.480%0.80220%0.195SC*.THydrogen-bonded Turntrans-96.6-3.3-173.9-58.6-16.1000112.9N150N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.1Å; N150-N152 PolarHBondContact OD1-N 3.5Å
153N91.9Very high95.7Very high33 Ų3334.5 Ų34.518%0.17620%0.2CC..  trans-134.7110.9-177.2-179.4-11.4000108.9R108 C148 N150 L155 Q196 G197R108-N153 PolarHBondContact NH1-O 2.96Å; C148-N153 WeakPolarHBondContact CB-O 3.48Å; C148-N153 PolarHBondContact SG-O 3.2Å; N150-N153 HydrophobicContact CB-CB 4.15Å; N150-N153 PolarHBondContact O-N 2.93Å; N153-L155 WeakPolarHBondContact OD1-CB 3.33Å; N153-L155 WeakPolarHBondContact OD1-CD1 3.41Å; N153-L155 WeakPolarHBondContact OD1-CG 3.38Å; N153-L155 PolarHBondContact OD1-N 3.35Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; N153-Q196 PolarHBondContact ND2-O 2.74Å; N153-G197 PolarHBondContact ND2-O 2.77Å
154S94.7Very high95.7Very high10 Ų1034.3 Ų34.37%0.0720%0.198CC..  trans-104.431.5-175.6-53.10000113.4R108 L156 L171R108-S154 VanDerWaalsContact NH1-CA 3.33Å; R108-S154 PolarHBondContact NH2-OG 3.02Å; S154-L156 PolarHBondContact O-N 2.94Å; S154-L171 WeakPolarHBondContact O-CB 3.13Å; S154-L171 WeakPolarHBondContact O-CG 3.32Å; S154-L171 PolarHBondContact O-N 2.86Å
155L97.8Very high95.7Very high24 Ų2435 Ų3513%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-64.4131.8179.1-71.2167000112C148 N153 I168 V169 D170 G197C148-L155 HydrophobicContact CB-CB 4.18Å; C148-L155 WeakPolarHBondContact CB-O 3.4Å; C148-L155 PolarHBondContact N-O 2.82Å; N153-L155 WeakPolarHBondContact OD1-CB 3.33Å; N153-L155 WeakPolarHBondContact OD1-CD1 3.41Å; N153-L155 WeakPolarHBondContact OD1-CG 3.38Å; N153-L155 PolarHBondContact OD1-N 3.35Å; N153-L155 VanDerWaalsContact OD1-N 3.14Å; L155-I168 HydrophobicContact CB-CG2 4.44Å; L155-I168 HydrophobicContact CD2-CG2 3.65Å; L155-I168 HydrophobicContact CG-CG2 4.46Å; L155-V169 CarbonylContact C-O 3.54Å; L155-V169 WeakPolarHBondContact CA-O 3.26Å; L155-D170 HydrophobicContact CD2-CB 4.23Å; L155-G197 WeakPolarHBondContact CD1-O 3.17Å
156L98.7Very high95.8Very high0 Ų034.7 Ų34.70%020%0.199CC..EExtended strand (participates in β ladder)trans-116.8127.7170.7174.467.6000107.4V113 I120 V122 F135 C145 L147 S154 F158 I168 V169 L171V113-L156 HydrophobicContact CG1-CD1 3.94Å; V113-L156 HydrophobicContact CG1-CD2 4.41Å; V113-L156 HydrophobicContact CG2-CD1 4.46Å; I120-L156 HydrophobicContact CG2-CD2 4.3Å; V122-L156 HydrophobicContact CG2-CD2 4.06Å; F135-L156 HydrophobicContact CD2-CD2 3.99Å; F135-L156 HydrophobicContact CE2-CD2 3.9Å; C145-L156 WeakPolarHBondContact SG-CD1 3.44Å; L147-L156 HydrophobicContact CB-CD1 4.46Å; L147-L156 HydrophobicContact CD1-CB 4.26Å; L147-L156 HydrophobicContact CD1-CD1 4.16Å; S154-L156 PolarHBondContact O-N 2.94Å; L156-F158 HydrophobicContact CD2-CD1 4.11Å; L156-F158 HydrophobicContact CD2-CE1 3.9Å; L156-F158 HydrophobicContact CG-CD1 3.82Å; L156-F158 HydrophobicContact CG-CE1 3.96Å; L156-I168 WeakPolarHBondContact O-CA 3.49Å; L156-V169 PolarHBondContact N-O 2.86Å; L156-V169 PolarHBondContact O-N 3.04Å; L156-L171 HydrophobicContact CB-CD1 3.97Å; L156-L171 HydrophobicContact CB-CD2 4.17Å; L156-L171 HydrophobicContact CB-CG 3.89Å; L156-L171 HydrophobicContact CD2-CD1 4.32Å; L156-L171 HydrophobicContact CD2-CD2 3.93Å; L156-L171 HydrophobicContact CD2-CG 4.44Å
157A98.8Very high95.8Very high1 Ų135.6 Ų35.61%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-128.9137.6178.300000111.6C145 V146 V166 Q167 I168 I200C145-A157 WeakPolarHBondContact CA-O 3.47Å; V146-A157 HydrophobicContact CG2-CB 3.57Å; V146-A157 PolarHBondContact N-O 3.07Å; V146-A157 PolarHBondContact O-N 3.21Å; A157-V166 HydrophobicContact CB-CG1 4.25Å; A157-Q167 VanDerWaalsContact CA-O 3.3Å; A157-Q167 WeakPolarHBondContact CA-O 3.26Å; A157-I168 HydrophobicContact CB-CG1 4.11Å; A157-I168 HydrophobicContact CB-CG2 4.42Å; A157-I200 HydrophobicContact CB-CD1 3.45Å; A157-I200 VanDerWaalsContact CB-CD1 3.45Å
158F98.9Very high95.8Very high0 Ų034.9 Ų34.90%020%0.198CC..EExtended strand (participates in β ladder)trans-157.2164.2-173.250-89.9000111.4I120 F135 T137 L156 G160 V166 Q167 V169I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.85Å; I120-F158 HydrophobicContact CD1-CD2 3.99Å; I120-F158 HydrophobicContact CD1-CG 3.46Å; I120-F158 VanDerWaalsContact CD1-CG 3.46Å; F135-F158 HydrophobicContact CB-CE1 4.25Å; F135-F158 HydrophobicContact CB-CE2 3.83Å; F135-F158 HydrophobicContact CB-CZ 3.48Å; F135-F158 VanDerWaalsContact CB-CZ 3.48Å; F135-F158 HydrophobicContact CD1-CZ 4.14Å; F135-F158 HydrophobicContact CD2-CE1 4.23Å; F135-F158 HydrophobicContact CD2-CZ 4.19Å; F135-F158 HydrophobicContact CG-CE1 4.18Å; F135-F158 AromaticContact CG-CZ 3.68Å; F135-F158 HydrophobicContact CG-CZ 3.68Å; T137-F158 HydrophobicContact CG2-CD2 3.69Å; T137-F158 HydrophobicContact CG2-CE2 4.22Å; T137-F158 HydrophobicContact CG2-CG 4.49Å; L156-F158 HydrophobicContact CD2-CD1 4.11Å; L156-F158 HydrophobicContact CD2-CE1 3.9Å; L156-F158 HydrophobicContact CG-CD1 3.82Å; L156-F158 HydrophobicContact CG-CE1 3.96Å; F158-G160 PolarHBondContact O-N 2.78Å; F158-V166 WeakPolarHBondContact O-CA 3.34Å; F158-Q167 HydrophobicContact CD2-CB 4.2Å; F158-Q167 HydrophobicContact CE2-CB 3.81Å; F158-Q167 HydrophobicContact CE2-CG 4.19Å; F158-Q167 HydrophobicContact CZ-CB 4.12Å; F158-Q167 HydrophobicContact CZ-CG 4.14Å; F158-Q167 PolarHBondContact N-O 2.93Å; F158-Q167 PolarHBondContact O-N 2.64Å; F158-V169 HydrophobicContact CE1-CG2 4.01Å; F158-V169 HydrophobicContact CZ-CG2 4.04Å
159P98.8Very high95.8Very high4 Ų435.3 Ų35.33%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-58125.1171.7-22.533.3000111.3T137 C138 L144 H165 L188 I191T137-P159 WeakPolarHBondContact CB-O 3.3Å; C138-P159 VanDerWaalsContact SG-CB 3.59Å; L144-P159 HydrophobicContact CB-CG 3.69Å; L144-P159 HydrophobicContact CD1-CG 4.11Å; L144-P159 HydrophobicContact CG-CG 4.44Å; L144-P159 WeakPolarHBondContact O-CD 3.2Å; P159-H165 WeakPolarHBondContact CA-O 3.46Å; P159-L188 HydrophobicContact CB-CD1 4.16Å; P159-L188 HydrophobicContact CG-CD1 4.27Å; P159-I191 HydrophobicContact CG-CD1 4.13Å
160G98.1Very high96.2Very high1 Ų136.6 Ų36.61%0.0121%0.206CC..  trans-67.4-179.7174.300000112C138 F158 H162 H165C138-G160 VanDerWaalsContact CB-O 3.26Å; C138-G160 WeakPolarHBondContact CB-O 3.47Å; C138-G160 PolarHBondContact N-O 2.99Å; F158-G160 PolarHBondContact O-N 2.78Å; G160-H162 VanDerWaalsContact C-N 3.25Å; G160-H162 PolarHBondContact O-N 3.15Å; G160-H165 PolarHBondContact N-O 3.05Å
161T97.4Very high96.6Very high72 Ų7234.2 Ų34.244%0.44219%0.193SC..SBendtrans-68.5-26.4176.352.70000112.5E136E136-T161 HydrophobicContact CB-CG2 4.04Å
162H97.1Very high97Very high120 Ų12033.5 Ų33.556%0.55619%0.192SC*.SBendtrans-87.4137.3174.9-62.5173.4000111.5G160 G164 H165G160-H162 VanDerWaalsContact C-N 3.25Å; G160-H162 PolarHBondContact O-N 3.15Å; H162-G164 PolarHBondContact O-N 2.87Å; H162-H165 HydrophobicContact CB-CB 4.18Å; H162-H165 WeakPolarHBondContact O-CB 3.44Å; H162-H165 PolarHBondContact O-N 2.86Å; H162-H165 VanDerWaalsContact O-N 3.14Å
163S96.2Very high97.3Very high68 Ų6829.9 Ų29.948%0.47617%0.173SC..THydrogen-bonded Turntrans-57.5132.4179-171.90000111.1H165 A187S163-H165 PolarHBondContact O-N 3.23Å; S163-A187 PolarHBondContact OG-N 2.86Å
164G97.9Very high97.3Very high2 Ų231.1 Ų31.12%0.02118%0.182CC..THydrogen-bonded Turntrans77.6-2.9178.600000115.4H162 A183 H184 G186H162-G164 PolarHBondContact O-N 2.87Å; G164-A183 WeakPolarHBondContact O-CB 3.25Å; G164-A183 PolarHBondContact O-N 2.93Å; G164-A183 VanDerWaalsContact O-N 3.16Å; G164-H184 CarbonylContact C-O 3.58Å; G164-H184 VanDerWaalsContact CA-O 3.32Å; G164-H184 WeakPolarHBondContact CA-O 3.47Å; G164-H184 PolarHBondContact O-N 2.79Å; G164-G186 WeakPolarHBondContact CA-O 3.39Å
165H98.7Very high97.3Very high39 Ų3939.4 Ų39.418%0.18122%0.22CC..EExtended strand (participates in β ladder)trans-85.4147.6174-76.9-130.2000112.2P159 G160 H162 S163 D180 I181 L188P159-H165 WeakPolarHBondContact CA-O 3.46Å; G160-H165 PolarHBondContact N-O 3.05Å; H162-H165 HydrophobicContact CB-CB 4.18Å; H162-H165 WeakPolarHBondContact O-CB 3.44Å; H162-H165 PolarHBondContact O-N 2.86Å; H162-H165 VanDerWaalsContact O-N 3.14Å; S163-H165 PolarHBondContact O-N 3.23Å; H165-D180 IonicContact CE1-OD2 3.45Å; H165-D180 PolarHBondContact CE1-OD2 2.8Å; H165-D180 IonicContact CG-OD1 3.66Å; H165-D180 VanDerWaalsContact ND1-CG 3.32Å; H165-D180 IonicContact ND1-OD1 3.02Å; H165-D180 PolarHBondContact ND1-OD1 3.2Å; H165-D180 IonicContact ND1-OD2 2.9Å; H165-D180 PolarHBondContact ND1-OD2 2.94Å; H165-I181 CarbonylContact C-O 3.58Å; H165-I181 VanDerWaalsContact CA-O 3.23Å; H165-I181 WeakPolarHBondContact CA-O 3.43Å; H165-L188 VanDerWaalsContact O-CD1 3.31Å; H165-L188 WeakPolarHBondContact O-CD1 3.29Å
166V98.8Very high97.1Very high1 Ų143.6 Ų43.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-114.5126168.61780000109A157 F158 I168 I181 A183 L188 I191 I200 T202A157-V166 HydrophobicContact CB-CG1 4.25Å; F158-V166 WeakPolarHBondContact O-CA 3.34Å; V166-I168 HydrophobicContact CG1-CG1 4.17Å; V166-I181 HydrophobicContact CB-CB 4.37Å; V166-I181 PolarHBondContact N-O 3.18Å; V166-I181 PolarHBondContact O-N 3.44Å; V166-A183 HydrophobicContact CG2-CB 4.13Å; V166-L188 HydrophobicContact CG2-CD1 3.43Å; V166-L188 VanDerWaalsContact CG2-CD1 3.43Å; V166-I191 HydrophobicContact CG2-CD1 4.13Å; V166-I200 HydrophobicContact CG1-CD1 3.82Å; V166-T202 HydrophobicContact CG2-CG2 3.81Å
167Q98.6Very high97Very high38 Ų3848.4 Ų48.418%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-97.1134.5171.4-165.5171.3-54.400109.7A157 F158 P178 V179A157-Q167 VanDerWaalsContact CA-O 3.3Å; A157-Q167 WeakPolarHBondContact CA-O 3.26Å; F158-Q167 HydrophobicContact CD2-CB 4.2Å; F158-Q167 HydrophobicContact CE2-CB 3.81Å; F158-Q167 HydrophobicContact CE2-CG 4.19Å; F158-Q167 HydrophobicContact CZ-CB 4.12Å; F158-Q167 HydrophobicContact CZ-CG 4.14Å; F158-Q167 PolarHBondContact N-O 2.93Å; F158-Q167 PolarHBondContact O-N 2.64Å; Q167-P178 HydrophobicContact CG-CB 3.76Å; Q167-P178 HydrophobicContact CG-CG 4.43Å; Q167-V179 CarbonylContact C-O 3.58Å; Q167-V179 WeakPolarHBondContact CA-O 3.23Å
168I98.6Very high96.9Very high4 Ų451.7 Ų51.72%0.02129%0.289CS..EExtended strand (participates in β ladder)trans-121.4127.6177.4-45.5-170.4000109.4L155 L156 A157 V166 P178 V179 I181 I200 T215L155-I168 HydrophobicContact CB-CG2 4.44Å; L155-I168 HydrophobicContact CD2-CG2 3.65Å; L155-I168 HydrophobicContact CG-CG2 4.46Å; L156-I168 WeakPolarHBondContact O-CA 3.49Å; A157-I168 HydrophobicContact CB-CG1 4.11Å; A157-I168 HydrophobicContact CB-CG2 4.42Å; V166-I168 HydrophobicContact CG1-CG1 4.17Å; I168-P178 CarbonylContact O-C 3.58Å; I168-P178 VanDerWaalsContact O-CA 3.27Å; I168-P178 WeakPolarHBondContact O-CA 3.31Å; I168-P178 WeakPolarHBondContact O-CB 3.16Å; I168-V179 HydrophobicContact CB-CB 4.2Å; I168-V179 PolarHBondContact N-O 2.79Å; I168-V179 PolarHBondContact O-N 3.09Å; I168-I181 HydrophobicContact CD1-CD1 3.59Å; I168-I181 HydrophobicContact CG1-CD1 4.26Å; I168-I200 HydrophobicContact CD1-CG2 4.26Å; I168-T215 HydrophobicContact CD1-CG2 4.17Å
169V98.3Very high96.9Very high8 Ų853.2 Ų53.25%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-125.9139.3-179.6-176.10000109.7F135 L155 L156 F158 T174 P178F135-V169 HydrophobicContact CD1-CG2 4.26Å; F135-V169 HydrophobicContact CE1-CB 4.47Å; F135-V169 HydrophobicContact CE1-CG1 4.01Å; F135-V169 HydrophobicContact CE1-CG2 3.92Å; F135-V169 HydrophobicContact CZ-CB 4.33Å; F135-V169 HydrophobicContact CZ-CG1 3.78Å; F135-V169 HydrophobicContact CZ-CG2 4.23Å; L155-V169 CarbonylContact C-O 3.54Å; L155-V169 WeakPolarHBondContact CA-O 3.26Å; L156-V169 PolarHBondContact N-O 2.86Å; L156-V169 PolarHBondContact O-N 3.04Å; F158-V169 HydrophobicContact CE1-CG2 4.01Å; F158-V169 HydrophobicContact CZ-CG2 4.04Å; V169-T174 HydrophobicContact CG1-CG2 4.29Å; V169-P178 HydrophobicContact CG2-CB 4.08Å
170D97.1Very high96.9Very high49 Ų4956.9 Ų56.926%0.26232%0.318SS..EExtended strand (participates in β ladder)trans-89.7110.4167.3-176.2-1000110.1L155 A172 N173 T174L155-D170 HydrophobicContact CD2-CB 4.23Å; D170-A172 PolarHBondContact O-N 2.89Å; D170-A172 WeakPolarHBondContact OD1-CB 3.44Å; D170-A172 PolarHBondContact OD1-N 2.69Å; D170-N173 CarbonylContact O-C 3.52Å; D170-N173 PolarHBondContact O-N 2.93Å; D170-T174 PolarHBondContact O-N 3.17Å
171L96.8Very high96.9Very high6 Ų656.9 Ų56.93%0.03132%0.318CS..THydrogen-bonded Turntrans-70.4-9.7179.7-60.1179.5000113.8R111 V113 V122 F135 L147 S154 L156R111-L171 HydrophobicContact CG-CD1 4.4Å; V113-L171 HydrophobicContact CG2-CD1 4.41Å; V122-L171 HydrophobicContact CG1-CD1 4.25Å; V122-L171 HydrophobicContact CG1-CD2 4.43Å; V122-L171 HydrophobicContact CG2-CD2 4.17Å; F135-L171 HydrophobicContact CE2-CD2 3.98Å; F135-L171 HydrophobicContact CZ-CD2 4.23Å; L147-L171 HydrophobicContact CD1-CD1 3.83Å; S154-L171 WeakPolarHBondContact O-CB 3.13Å; S154-L171 WeakPolarHBondContact O-CG 3.32Å; S154-L171 PolarHBondContact O-N 2.86Å; L156-L171 HydrophobicContact CB-CD1 3.97Å; L156-L171 HydrophobicContact CB-CD2 4.17Å; L156-L171 HydrophobicContact CB-CG 3.89Å; L156-L171 HydrophobicContact CD2-CD1 4.32Å; L156-L171 HydrophobicContact CD2-CD2 3.93Å; L156-L171 HydrophobicContact CD2-CG 4.44Å
172A94.4Very high96.9Very high73 Ų7357.9 Ų57.960%0.60333%0.325SS*.THydrogen-bonded Turntrans-87.1-19.7170.500000112.4D170D170-A172 PolarHBondContact O-N 2.89Å; D170-A172 WeakPolarHBondContact OD1-CB 3.44Å; D170-A172 PolarHBondContact OD1-N 2.69Å
173N94.8Very high97Very high75 Ų7552.1 Ų52.140%0.40130%0.299SS..  trans-145.376.3179.5-174.6-1000110.9D170 E175 K176D170-N173 CarbonylContact O-C 3.52Å; D170-N173 PolarHBondContact O-N 2.93Å; N173-E175 PolarHBondContact O-N 3.01Å; N173-K176 WeakPolarHBondContact O-CB 3.48Å; N173-K176 PolarHBondContact O-N 2.88Å; N173-K176 PolarHBondContact OD1-N 2.87Å
174T93Very high97.1Very high59 Ų5949.4 Ų49.436%0.36228%0.279SS..THydrogen-bonded Turntrans-76.3-6-178.655.70000114.1H133 V169 D170 K176H133-T174 PolarHBondContact CE1-OG1 2.81Å; V169-T174 HydrophobicContact CG1-CG2 4.29Å; D170-T174 PolarHBondContact O-N 3.17Å; T174-K176 VanDerWaalsContact C-N 3.33Å
175E93.9Very high97.1Very high183 Ų18358.6 Ų58.686%0.85532%0.321SS*.THydrogen-bonded Turntrans-75.7-26.5171.4-61.4-174.7160.300111.5N173N173-E175 PolarHBondContact O-N 3.01Å
176K94.8Very high96.9Very high113 Ų11358.2 Ų58.249%0.49133%0.327SS..SBendtrans-65132.2172.3-171.8-176.2176.1-174.10109.1N173 T174N173-K176 WeakPolarHBondContact O-CB 3.48Å; N173-K176 PolarHBondContact O-N 2.88Å; N173-K176 PolarHBondContact OD1-N 2.87Å; T174-K176 VanDerWaalsContact C-N 3.33Å
177P95.7Very high96.9Very high101 Ų10159.7 Ų59.766%0.65634%0.34SS*.PPolyproline II helixtrans-59.6143.2177.924.6-34.2000110.9
178P97.4Very high96.9Very high69 Ų6958.7 Ų58.745%0.44834%0.336SS..PPolyproline II helixtrans-63150.6176.327-34000111.1Q167 I168 V169Q167-P178 HydrophobicContact CG-CB 3.76Å; Q167-P178 HydrophobicContact CG-CG 4.43Å; I168-P178 CarbonylContact O-C 3.58Å; I168-P178 VanDerWaalsContact O-CA 3.27Å; I168-P178 WeakPolarHBondContact O-CA 3.31Å; I168-P178 WeakPolarHBondContact O-CB 3.16Å; V169-P178 HydrophobicContact CG2-CB 4.08Å
179V98.3Very high96.8Very high33 Ų3358.8 Ų58.820%0.234%0.337CS..EExtended strand (participates in β ladder)trans-85.4121.9167.1-177.50000107.6Q167 I168 I181Q167-V179 CarbonylContact C-O 3.58Å; Q167-V179 WeakPolarHBondContact CA-O 3.23Å; I168-V179 HydrophobicContact CB-CB 4.2Å; I168-V179 PolarHBondContact N-O 2.79Å; I168-V179 PolarHBondContact O-N 3.09Å; V179-I181 HydrophobicContact CG1-CG1 4.01Å
180D98.4Very high96.8Very high81 Ų8159 Ų5943%0.43334%0.339SS..EExtended strand (participates in β ladder)trans-103.5122.5173.7-178.738.1000109.9H165H165-D180 IonicContact CE1-OD2 3.45Å; H165-D180 PolarHBondContact CE1-OD2 2.8Å; H165-D180 IonicContact CG-OD1 3.66Å; H165-D180 VanDerWaalsContact ND1-CG 3.32Å; H165-D180 IonicContact ND1-OD1 3.02Å; H165-D180 PolarHBondContact ND1-OD1 3.2Å; H165-D180 IonicContact ND1-OD2 2.9Å; H165-D180 PolarHBondContact ND1-OD2 2.94Å
181I98.8Very high96.9Very high1 Ų157.5 Ų57.51%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-114113.8-176.2-55.4-179.2000108.9H165 V166 I168 V179 A183 I200 F213H165-I181 CarbonylContact C-O 3.58Å; H165-I181 VanDerWaalsContact CA-O 3.23Å; H165-I181 WeakPolarHBondContact CA-O 3.43Å; V166-I181 HydrophobicContact CB-CB 4.37Å; V166-I181 PolarHBondContact N-O 3.18Å; V166-I181 PolarHBondContact O-N 3.44Å; I168-I181 HydrophobicContact CD1-CD1 3.59Å; I168-I181 HydrophobicContact CG1-CD1 4.26Å; V179-I181 HydrophobicContact CG1-CG1 4.01Å; I181-A183 HydrophobicContact CG2-CB 4.13Å; I181-A183 PolarHBondContact O-N 2.95Å; I181-I200 HydrophobicContact CD1-CG2 4.34Å; I181-F213 HydrophobicContact CD1-CB 4.03Å; I181-F213 HydrophobicContact CD1-CG 4.36Å; I181-F213 HydrophobicContact CG2-CD1 3.46Å; I181-F213 VanDerWaalsContact CG2-CD1 3.46Å; I181-F213 HydrophobicContact CG2-CD2 4.29Å; I181-F213 HydrophobicContact CG2-CE1 3.52Å; I181-F213 HydrophobicContact CG2-CE2 4.32Å; I181-F213 HydrophobicContact CG2-CG 3.88Å; I181-F213 HydrophobicContact CG2-CZ 3.98Å
182P98.4Very high97Very high92 Ų9257.5 Ų57.560%0.59733%0.331SS*.EExtended strand (participates in β ladder)trans-72.574.9170.430.6-34.5000110
183A98.4Very high97.2Very high0 Ų055.3 Ų55.30%031%0.309CS..  trans-73.8-37-166.500000112.5G164 V166 I181 L188 T202 R211 F213G164-A183 WeakPolarHBondContact O-CB 3.25Å; G164-A183 PolarHBondContact O-N 2.93Å; G164-A183 VanDerWaalsContact O-N 3.16Å; V166-A183 HydrophobicContact CG2-CB 4.13Å; I181-A183 HydrophobicContact CG2-CB 4.13Å; I181-A183 PolarHBondContact O-N 2.95Å; A183-L188 HydrophobicContact CB-CD2 4.5Å; A183-T202 HydrophobicContact CB-CG2 4.37Å; A183-R211 VanDerWaalsContact O-CD 3.3Å; A183-R211 WeakPolarHBondContact O-CD 3.29Å; A183-R211 PolarHBondContact O-NH1 2.77Å; A183-F213 HydrophobicContact CB-CE2 3.77Å; A183-F213 HydrophobicContact CB-CZ 3.83Å
184H98.4Very high97.3Very high11 Ų1151.9 Ų51.95%0.05129%0.291CS..  trans-146.6158.1179.8-62.4-93.3000111.1G164 G186 L188 T202 S204G164-H184 CarbonylContact C-O 3.58Å; G164-H184 VanDerWaalsContact CA-O 3.32Å; G164-H184 WeakPolarHBondContact CA-O 3.47Å; G164-H184 PolarHBondContact O-N 2.79Å; H184-G186 VanDerWaalsContact C-N 3.3Å; H184-L188 HydrophobicContact CB-CD2 4.46Å; H184-T202 PolarHBondContact NE2-O 3.15Å; H184-T202 PolarHBondContact NE2-OG1 2.84Å; H184-S204 PolarHBondContact ND1-OG 2.99Å
185E96.7Very high97.4Very high194 Ų19450.9 Ų50.991%0.90728%0.283SS*.SBendtrans-73.2-23.7172.7-63-66.1149.300112.8
186G96.1Very high97.4Very high31 Ų3145.6 Ų45.632%0.3226%0.258SS..SBendtrans-118.2169.1-176.500000112.1G164 H184G164-G186 WeakPolarHBondContact CA-O 3.39Å; H184-G186 VanDerWaalsContact C-N 3.3Å
187A97.9Very high97.5Very high33 Ų3340.2 Ų40.227%0.27324%0.235SC..  trans-53.8142.1-176.100000112.3S163 S204 E205S163-A187 PolarHBondContact OG-N 2.86Å; A187-S204 CarbonylContact O-C 3.14Å; A187-S204 WeakPolarHBondContact O-CA 3.17Å; A187-S204 VanDerWaalsContact O-CB 3.31Å; A187-S204 WeakPolarHBondContact O-CB 3.19Å; A187-E205 HydrophobicContact CB-CG 4.24Å; A187-E205 PolarHBondContact O-N 2.72Å
188L98.6Very high97.6Very high17 Ų1738.2 Ų38.29%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-73.1138.5177.8-61.7177.9000110.1L144 P159 H165 V166 A183 H184 I191L144-L188 HydrophobicContact CD1-CB 3.87Å; L144-L188 WeakPolarHBondContact CD1-O 3.26Å; P159-L188 HydrophobicContact CB-CD1 4.16Å; P159-L188 HydrophobicContact CG-CD1 4.27Å; H165-L188 VanDerWaalsContact O-CD1 3.31Å; H165-L188 WeakPolarHBondContact O-CD1 3.29Å; V166-L188 HydrophobicContact CG2-CD1 3.43Å; V166-L188 VanDerWaalsContact CG2-CD1 3.43Å; A183-L188 HydrophobicContact CB-CD2 4.5Å; H184-L188 HydrophobicContact CB-CD2 4.46Å; L188-I191 HydrophobicContact CD1-CD1 3.78Å; L188-I191 HydrophobicContact CD1-CG1 4.31Å
189C97.6Very high97.6Very high5 Ų537.1 Ų37.13%0.03421%0.208CC..EExtended strand (participates in β ladder)trans-115-22.8177.677.40000112.9A203 S204 E205C189-A203 PolarHBondContact N-O 2.86Å; C189-A203 PolarHBondContact SG-O 2.84Å; C189-S204 PolarHBondContact SG-O 2.9Å; C189-E205 HydrophobicContact CB-CG 4.07Å
190C98.4Very high97.6Very high14 Ų1435.6 Ų35.610%0.09520%0.198CC..EExtended strand (participates in β ladder)trans-156.3141.1-179.5-162.60000110.7T202 A203 I233 I236C190-T202 WeakPolarHBondContact O-CA 3.48Å; C190-A203 HydrophobicContact CB-CB 4.36Å; C190-A203 PolarHBondContact N-O 2.9Å; C190-A203 PolarHBondContact O-N 2.65Å; C190-I233 HydrophobicContact CB-CB 4.24Å; C190-I233 HydrophobicContact CB-CG2 3.91Å; C190-I236 HydrophobicContact CB-CD1 4.06Å; C190-I236 HydrophobicContact CB-CG1 4.47Å
191I98.6Very high97.7Very high17 Ų1731.7 Ų31.79%0.08718%0.178CC..EExtended strand (participates in β ladder)trans-138.1138.7176.3-55.9177.2000107.7L144 V146 P159 V166 L188 I200 A201 T202L144-I191 HydrophobicContact CB-CD1 4.23Å; V146-I191 HydrophobicContact CG1-CB 4.44Å; V146-I191 HydrophobicContact CG1-CG2 4.09Å; V146-I191 WeakPolarHBondContact CG1-O 3.35Å; V146-I191 HydrophobicContact CG2-CG2 3.89Å; P159-I191 HydrophobicContact CG-CD1 4.13Å; V166-I191 HydrophobicContact CG2-CD1 4.13Å; L188-I191 HydrophobicContact CD1-CD1 3.78Å; L188-I191 HydrophobicContact CD1-CG1 4.31Å; I191-I200 HydrophobicContact CG2-CD1 3.49Å; I191-I200 VanDerWaalsContact CG2-CD1 3.49Å; I191-I200 HydrophobicContact CG2-CG1 3.69Å; I191-A201 CarbonylContact C-O 3.51Å; I191-A201 WeakPolarHBondContact CA-O 3.09Å; I191-T202 HydrophobicContact CG2-CG2 4.49Å
192A98.6Very high97.7Very high5 Ų531.7 Ų31.74%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-139.5141175.100000110.8I200 A201 I236A192-I200 CarbonylContact O-C 3.55Å; A192-I200 WeakPolarHBondContact O-CA 3.45Å; A192-A201 PolarHBondContact N-O 2.87Å; A192-A201 PolarHBondContact O-N 3.13Å; A192-I236 HydrophobicContact CB-CB 3.81Å; A192-I236 HydrophobicContact CB-CG2 3.84Å; A192-I236 WeakPolarHBondContact CB-O 3.32Å
193L98.4Very high97.7Very high27 Ų2727.3 Ų27.314%0.14115%0.149CC..EExtended strand (participates in β ladder)trans-111.6141.7176.5-167.674.7000108.6V146 C148 R199 I200 T215V146-L193 HydrophobicContact CB-CB 3.93Å; V146-L193 HydrophobicContact CG2-CB 3.83Å; C148-L193 HydrophobicContact CB-CD2 3.67Å; L193-R199 WeakPolarHBondContact CD1-O 3.39Å; L193-I200 HydrophobicContact CD1-CB 4.15Å; L193-T215 HydrophobicContact CD1-CG2 3.73Å
194N97.5Very high97.7Very high3 Ų327.9 Ų27.92%0.01615%0.153CC..  trans-71.5162169.371.8-26.6000111.5Q196 G197 T198 R199 F238 A242N194-Q196 PolarHBondContact ND2-OE1 3.06Å; N194-Q196 VanDerWaalsContact ND2-OE1 3.15Å; N194-Q196 PolarHBondContact O-N 3.05Å; N194-G197 PolarHBondContact O-N 2.92Å; N194-G197 WeakPolarHBondContact OD1-CA 3.39Å; N194-G197 PolarHBondContact OD1-N 2.82Å; N194-G197 VanDerWaalsContact OD1-N 3.11Å; N194-T198 PolarHBondContact ND2-OG1 2.99Å; N194-T198 PolarHBondContact OD1-N 3.45Å; N194-R199 PolarHBondContact N-O 3.1Å; N194-R199 PolarHBondContact OD1-N 2.76Å; N194-R199 PolarHBondContact OD1-O 2.94Å; N194-F238 HydrophobicContact CB-CB 4.01Å; N194-F238 HydrophobicContact CB-CD1 4.15Å; N194-F238 HydrophobicContact CB-CD2 3.81Å; N194-F238 HydrophobicContact CB-CE2 4.29Å; N194-F238 HydrophobicContact CB-CG 3.73Å; N194-A242 HydrophobicContact CB-CB 3.77Å
195L93.8Very high97.6Very high39 Ų3932.9 Ų32.920%0.20418%0.176CC..THydrogen-bonded Turntrans-57-34.2-178.3-78.8174.1000113.8Q20 D21 P149 G197 Q240Q20-L195 WeakPolarHBondContact O-CD2 3.18Å; D21-L195 HydrophobicContact CB-CD2 4.49Å; P149-L195 HydrophobicContact CG-CD2 4.05Å; L195-G197 VanDerWaalsContact C-N 3.28Å; L195-G197 PolarHBondContact O-N 3.05Å; L195-Q240 HydrophobicContact CD1-CG 4.23Å
196Q94.6Very high97.7Very high71 Ų7129.9 Ų29.933%0.33216%0.16SC..THydrogen-bonded Turntrans-79.2-11.7-179.9-60.374.731.100112.8N153 N194 T198 Q240N153-Q196 PolarHBondContact ND2-O 2.74Å; N194-Q196 PolarHBondContact ND2-OE1 3.06Å; N194-Q196 VanDerWaalsContact ND2-OE1 3.15Å; N194-Q196 PolarHBondContact O-N 3.05Å; Q196-T198 HydrophobicContact CB-CG2 4.15Å; Q196-T198 PolarHBondContact O-N 3.12Å; Q196-Q240 PolarHBondContact NE2-O 3.07Å
197G96.9Very high97.7Very high0 Ų028.4 Ų28.40%015%0.145CC..SBendtrans68.818.7-177.100000114.3C148 N153 L155 N194 L195 T215C148-G197 VanDerWaalsContact SG-CA 3.6Å; N153-G197 PolarHBondContact ND2-O 2.77Å; L155-G197 WeakPolarHBondContact CD1-O 3.17Å; N194-G197 PolarHBondContact O-N 2.92Å; N194-G197 WeakPolarHBondContact OD1-CA 3.39Å; N194-G197 PolarHBondContact OD1-N 2.82Å; N194-G197 VanDerWaalsContact OD1-N 3.11Å; L195-G197 VanDerWaalsContact C-N 3.28Å; L195-G197 PolarHBondContact O-N 3.05Å; G197-T215 WeakPolarHBondContact O-CB 3.21Å; G197-T215 PolarHBondContact O-OG1 2.84Å
198T97.3Very high97.6Very high60 Ų6027.3 Ų27.337%0.36814%0.135SC..SBendtrans-93.3-17.2-178.755.30000113N194 Q196 T215N194-T198 PolarHBondContact ND2-OG1 2.99Å; N194-T198 PolarHBondContact OD1-N 3.45Å; Q196-T198 HydrophobicContact CB-CG2 4.15Å; Q196-T198 PolarHBondContact O-N 3.12Å; T198-T215 VanDerWaalsContact C-OG1 3.25Å; T198-T215 VanDerWaalsContact CA-OG1 3.26Å; T198-T215 WeakPolarHBondContact CA-OG1 3.38Å; T198-T215 PolarHBondContact O-N 2.69Å; T198-T215 VanDerWaalsContact O-N 3.09Å; T198-T215 PolarHBondContact O-OG1 3.46Å
199R98.2Very high97.6Very high46 Ų4627.6 Ų27.617%0.17414%0.137CC..EExtended strand (participates in β ladder)trans-138.6138.9-176.6-60.9-174.2-176.11677.9112.3L193 N194 I212 F213 I221 F238 A242 E260L193-R199 WeakPolarHBondContact CD1-O 3.39Å; N194-R199 PolarHBondContact N-O 3.1Å; N194-R199 PolarHBondContact OD1-N 2.76Å; N194-R199 PolarHBondContact OD1-O 2.94Å; R199-I212 HydrophobicContact CB-CG2 4.14Å; R199-F213 VanDerWaalsContact CA-O 3.29Å; R199-F213 WeakPolarHBondContact CA-O 3.32Å; R199-I221 HydrophobicContact CG-CD1 4Å; R199-F238 HydrophobicContact CB-CE1 4.27Å; R199-F238 HydrophobicContact CB-CZ 4.04Å; R199-A242 PolarHBondContact NH1-O 2.97Å; R199-E260 IonicContact CZ-OE1 3.87Å; R199-E260 VanDerWaalsContact CZ-OE1 3.23Å; R199-E260 IonicContact NH1-OE1 3.7Å; R199-E260 PolarHBondContact NH1-OE1 2.87Å; R199-E260 IonicContact NH2-OE1 3.14Å; R199-E260 PolarHBondContact NH2-OE1 3.33Å
200I98.8Very high97.6Very high0 Ų027.4 Ų27.40%014%0.135CC..EExtended strand (participates in β ladder)trans-122.2125.5176.2-174.5156.8000110.1V146 A157 V166 I168 I181 I191 A192 L193 T202 I212 F213 T215V146-I200 HydrophobicContact CG2-CD1 4.12Å; A157-I200 HydrophobicContact CB-CD1 3.45Å; A157-I200 VanDerWaalsContact CB-CD1 3.45Å; V166-I200 HydrophobicContact CG1-CD1 3.82Å; I168-I200 HydrophobicContact CD1-CG2 4.26Å; I181-I200 HydrophobicContact CD1-CG2 4.34Å; I191-I200 HydrophobicContact CG2-CD1 3.49Å; I191-I200 VanDerWaalsContact CG2-CD1 3.49Å; I191-I200 HydrophobicContact CG2-CG1 3.69Å; A192-I200 CarbonylContact O-C 3.55Å; A192-I200 WeakPolarHBondContact O-CA 3.45Å; L193-I200 HydrophobicContact CD1-CB 4.15Å; I200-T202 HydrophobicContact CG1-CG2 4.15Å; I200-I212 CarbonylContact O-C 3.52Å; I200-I212 VanDerWaalsContact O-CA 3.29Å; I200-I212 WeakPolarHBondContact O-CA 3.4Å; I200-F213 HydrophobicContact CG2-CB 3.8Å; I200-F213 PolarHBondContact N-O 3.16Å; I200-F213 PolarHBondContact O-N 3.08Å; I200-T215 HydrophobicContact CB-CG2 4Å; I200-T215 HydrophobicContact CG2-CG2 4.02Å
201A98.8Very high97.7Very high0 Ų029.2 Ų29.20%014%0.14CC..EExtended strand (participates in β ladder)trans-99.1138.2172.200000109.8I191 A192 I210 R211 I212 I236 F238I191-A201 CarbonylContact C-O 3.51Å; I191-A201 WeakPolarHBondContact CA-O 3.09Å; A192-A201 PolarHBondContact N-O 2.87Å; A192-A201 PolarHBondContact O-N 3.13Å; A201-I210 HydrophobicContact CB-CG2 4.48Å; A201-R211 CarbonylContact C-O 3.46Å; A201-R211 VanDerWaalsContact CA-O 3.28Å; A201-R211 WeakPolarHBondContact CA-O 3.34Å; A201-I212 HydrophobicContact CB-CG1 4.25Å; A201-I236 HydrophobicContact CB-CG2 3.75Å; A201-F238 HydrophobicContact CB-CE2 3.68Å; A201-F238 HydrophobicContact CB-CZ 3.71Å
202T98.9Very high97.7Very high0 Ų028.4 Ų28.40%014%0.136CC..EExtended strand (participates in β ladder)trans-137.2148.8-175.462.70000111.1V166 A183 H184 C190 I191 I200 I210 R211 F213V166-T202 HydrophobicContact CG2-CG2 3.81Å; A183-T202 HydrophobicContact CB-CG2 4.37Å; H184-T202 PolarHBondContact NE2-O 3.15Å; H184-T202 PolarHBondContact NE2-OG1 2.84Å; C190-T202 WeakPolarHBondContact O-CA 3.48Å; I191-T202 HydrophobicContact CG2-CG2 4.49Å; I200-T202 HydrophobicContact CG1-CG2 4.15Å; T202-I210 WeakPolarHBondContact O-CA 3.04Å; T202-R211 PolarHBondContact N-O 3.3Å; T202-R211 PolarHBondContact O-N 3.37Å; T202-R211 PolarHBondContact OG1-O 3.18Å; T202-F213 HydrophobicContact CG2-CD2 4.48Å; T202-F213 HydrophobicContact CG2-CE2 4.47Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.02Å
203A98.8Very high97.7Very high0 Ų028.7 Ų28.70%014%0.137CC..EExtended strand (participates in β ladder)trans-136.1145.2168.700000110.5C189 C190 I210 I233 I236C189-A203 PolarHBondContact N-O 2.86Å; C189-A203 PolarHBondContact SG-O 2.84Å; C190-A203 HydrophobicContact CB-CB 4.36Å; C190-A203 PolarHBondContact N-O 2.9Å; C190-A203 PolarHBondContact O-N 2.65Å; A203-I210 HydrophobicContact CB-CD1 3.65Å; A203-I233 HydrophobicContact CB-CB 4.22Å; A203-I233 HydrophobicContact CB-CG1 3.81Å; A203-I233 HydrophobicContact CB-CG2 4.38Å; A203-I236 HydrophobicContact CB-CD1 4.05Å
204S98.4Very high97.7Very high12 Ų1229.5 Ų29.58%0.08414%0.141CC..EExtended strand (participates in β ladder)trans-92.6170.3169.854.30000111.7H184 A187 C189 K206 G207H184-S204 PolarHBondContact ND1-OG 2.99Å; A187-S204 CarbonylContact O-C 3.14Å; A187-S204 WeakPolarHBondContact O-CA 3.17Å; A187-S204 VanDerWaalsContact O-CB 3.31Å; A187-S204 WeakPolarHBondContact O-CB 3.19Å; C189-S204 PolarHBondContact SG-O 2.9Å; S204-K206 PolarHBondContact O-N 2.88Å; S204-G207 WeakPolarHBondContact O-CA 3.32Å; S204-G207 PolarHBondContact O-N 3.18Å
205E97.4Very high97.7Very high116 Ų11629.5 Ų29.554%0.54214%0.141SC..THydrogen-bonded Turntrans-56.2-21.9173.3-67.2-176153.600113.6A187 C189 G207A187-E205 HydrophobicContact CB-CG 4.24Å; A187-E205 PolarHBondContact O-N 2.72Å; C189-E205 HydrophobicContact CB-CG 4.07Å; E205-G207 VanDerWaalsContact C-N 3.3Å; E205-G207 PolarHBondContact O-N 3.25Å
206K97.5Very high97.8Very high131 Ų13131.6 Ų31.657%0.5716%0.159SC*.THydrogen-bonded Turntrans-66.9-31.2170.9-167.1173.8-178.41710112.2S204 T208 T230S204-K206 PolarHBondContact O-N 2.88Å; K206-T208 HydrophobicContact CG-CG2 4.18Å; K206-T208 PolarHBondContact O-N 2.75Å; K206-T230 VanDerWaalsContact O-CA 3.26Å; K206-T230 WeakPolarHBondContact O-CA 3.34Å; K206-T230 WeakPolarHBondContact O-CG2 3.34Å
207G97Very high97.8Very high0 Ų031.2 Ų31.20%017%0.168CC..  trans55.415171.900000117.4S204 E205 R226 A231S204-G207 WeakPolarHBondContact O-CA 3.32Å; S204-G207 PolarHBondContact O-N 3.18Å; E205-G207 VanDerWaalsContact C-N 3.3Å; E205-G207 PolarHBondContact O-N 3.25Å; G207-R226 PolarHBondContact O-NE 2.89Å; G207-A231 WeakPolarHBondContact CA-O 3.49Å
208T96.8Very high97.9Very high11 Ų1131.9 Ų31.97%0.06718%0.175CC..SBendtrans-83.9-29.2177.448.90000111.8K206 R226 G227 Q229K206-T208 HydrophobicContact CG-CG2 4.18Å; K206-T208 PolarHBondContact O-N 2.75Å; T208-R226 PolarHBondContact O-N 2.95Å; T208-G227 WeakPolarHBondContact CB-O 3.45Å; T208-Q229 WeakPolarHBondContact CG2-O 3.28Å
209L97.7Very high97.9Very high23 Ų2335.6 Ų35.612%0.1219%0.188CC..EExtended strand (participates in β ladder)trans-125.2138.5-176.3-62.9175.8000110.3E223 L224 R225L209-E223 HydrophobicContact CB-CG 4.45Å; L209-E223 HydrophobicContact CD1-CG 4.23Å; L209-E223 HydrophobicContact CD2-CG 4.03Å; L209-E223 HydrophobicContact CG-CG 4.47Å; L209-L224 CarbonylContact C-O 3.56Å; L209-L224 WeakPolarHBondContact CA-O 3.36Å; L209-R225 HydrophobicContact CD2-CB 4.14Å; L209-R225 HydrophobicContact CD2-CG 4.39Å
210I98.5Very high97.9Very high0 Ų037.7 Ų37.70%020%0.202CC..EExtended strand (participates in β ladder)trans-112.7127.8169.5-46.5-61.6000106.5A201 T202 A203 L224 I233 I236 I245 V247A201-I210 HydrophobicContact CB-CG2 4.48Å; T202-I210 WeakPolarHBondContact O-CA 3.04Å; A203-I210 HydrophobicContact CB-CD1 3.65Å; I210-L224 HydrophobicContact CB-CB 4.33Å; I210-L224 PolarHBondContact N-O 2.84Å; I210-L224 PolarHBondContact O-N 3Å; I210-I233 HydrophobicContact CD1-CD1 4.28Å; I210-I233 HydrophobicContact CD1-CG1 4.24Å; I210-I236 HydrophobicContact CD1-CD1 4.27Å; I210-I236 HydrophobicContact CG2-CD1 4Å; I210-I245 HydrophobicContact CG2-CD1 3.94Å; I210-V247 HydrophobicContact CD1-CG1 3.95Å; I210-V247 HydrophobicContact CG1-CG1 4.29Å; I210-V247 HydrophobicContact CG1-CG2 4.24Å
211R98.7Very high97.8Very high52 Ų5240.6 Ų40.620%0.19622%0.217CC..EExtended strand (participates in β ladder)trans-117.4134.1-178-71.5179.9178.6141.6-2110.6A183 A201 T202 F213 L220 Q222 E223A183-R211 VanDerWaalsContact O-CD 3.3Å; A183-R211 WeakPolarHBondContact O-CD 3.29Å; A183-R211 PolarHBondContact O-NH1 2.77Å; A201-R211 CarbonylContact C-O 3.46Å; A201-R211 VanDerWaalsContact CA-O 3.28Å; A201-R211 WeakPolarHBondContact CA-O 3.34Å; T202-R211 PolarHBondContact N-O 3.3Å; T202-R211 PolarHBondContact O-N 3.37Å; T202-R211 PolarHBondContact OG1-O 3.18Å; R211-F213 HydrophobicContact CB-CD2 4.27Å; R211-F213 HydrophobicContact CB-CE2 3.39Å; R211-F213 HydrophobicContact CB-CZ 3.76Å; R211-F213 HydrophobicContact CG-CZ 4.49Å; R211-L220 HydrophobicContact CB-CD1 3.75Å; R211-L220 HydrophobicContact CG-CD1 3.95Å; R211-Q222 WeakPolarHBondContact CA-O 3.19Å; R211-E223 HydrophobicContact CG-CB 4.4Å; R211-E223 HydrophobicContact CG-CG 4.12Å; R211-E223 IonicContact CZ-OE2 3.28Å; R211-E223 VanDerWaalsContact CZ-OE2 3.28Å; R211-E223 IonicContact NE-OE2 2.82Å; R211-E223 PolarHBondContact NE-OE2 3.13Å; R211-E223 IonicContact NH2-OE2 2.84Å; R211-E223 PolarHBondContact NH2-OE2 3.46Å
212I98.8Very high97.7Very high1 Ų141.8 Ų41.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-110.5125.8178.7-54.5178.8000108R199 I200 A201 I221 Q222 L224 F238 I245 A259R199-I212 HydrophobicContact CB-CG2 4.14Å; I200-I212 CarbonylContact O-C 3.52Å; I200-I212 VanDerWaalsContact O-CA 3.29Å; I200-I212 WeakPolarHBondContact O-CA 3.4Å; A201-I212 HydrophobicContact CB-CG1 4.25Å; I212-I221 HydrophobicContact CG2-CD1 4.47Å; I212-I221 WeakPolarHBondContact O-CA 3.14Å; I212-I221 WeakPolarHBondContact O-CB 3.45Å; I212-I221 PolarHBondContact O-N 2.85Å; I212-Q222 HydrophobicContact CB-CB 4.27Å; I212-Q222 HydrophobicContact CD1-CB 4.33Å; I212-Q222 HydrophobicContact CG1-CB 4.46Å; I212-Q222 PolarHBondContact N-O 3.02Å; I212-Q222 PolarHBondContact O-N 3.49Å; I212-L224 HydrophobicContact CD1-CD1 3.81Å; I212-L224 HydrophobicContact CG1-CD1 4.4Å; I212-F238 HydrophobicContact CD1-CE1 4.29Å; I212-F238 HydrophobicContact CG2-CE1 4.32Å; I212-F238 HydrophobicContact CG2-CZ 4.09Å; I212-I245 HydrophobicContact CD1-CD1 4.22Å; I212-I245 HydrophobicContact CD1-CG2 4.34Å; I212-A259 HydrophobicContact CD1-CB 3.63Å
213F98.8Very high97.6Very high11 Ų1145 Ų455%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-118.3151.9179.5-57.1-98.9000111.1I181 A183 R199 I200 T202 R211 Q219 L220I181-F213 HydrophobicContact CD1-CB 4.03Å; I181-F213 HydrophobicContact CD1-CG 4.36Å; I181-F213 HydrophobicContact CG2-CD1 3.46Å; I181-F213 VanDerWaalsContact CG2-CD1 3.46Å; I181-F213 HydrophobicContact CG2-CD2 4.29Å; I181-F213 HydrophobicContact CG2-CE1 3.52Å; I181-F213 HydrophobicContact CG2-CE2 4.32Å; I181-F213 HydrophobicContact CG2-CG 3.88Å; I181-F213 HydrophobicContact CG2-CZ 3.98Å; A183-F213 HydrophobicContact CB-CE2 3.77Å; A183-F213 HydrophobicContact CB-CZ 3.83Å; R199-F213 VanDerWaalsContact CA-O 3.29Å; R199-F213 WeakPolarHBondContact CA-O 3.32Å; I200-F213 HydrophobicContact CG2-CB 3.8Å; I200-F213 PolarHBondContact N-O 3.16Å; I200-F213 PolarHBondContact O-N 3.08Å; T202-F213 HydrophobicContact CG2-CD2 4.48Å; T202-F213 HydrophobicContact CG2-CE2 4.47Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.02Å; R211-F213 HydrophobicContact CB-CD2 4.27Å; R211-F213 HydrophobicContact CB-CE2 3.39Å; R211-F213 HydrophobicContact CB-CZ 3.76Å; R211-F213 HydrophobicContact CG-CZ 4.49Å; F213-Q219 CarbonylContact C-O 3.59Å; F213-Q219 WeakPolarHBondContact CA-O 3.14Å; F213-L220 HydrophobicContact CD1-CB 3.98Å; F213-L220 HydrophobicContact CD1-CD1 4.13Å; F213-L220 HydrophobicContact CE1-CB 3.81Å; F213-L220 HydrophobicContact CE1-CD1 3.7Å; F213-L220 HydrophobicContact CE1-CG 4.34Å; F213-L220 HydrophobicContact CE2-CD1 4.23Å; F213-L220 HydrophobicContact CZ-CD1 3.75Å
214D98.3Very high97.5Very high44 Ų4445 Ų4524%0.23524%0.238CC..EExtended strand (participates in β ladder)trans-71.9132.7163.9-179-94.6000109.3S216 A217 G218 Q219 I221D214-S216 WeakPolarHBondContact OD1-CA 3.11Å; D214-S216 WeakPolarHBondContact OD1-CB 3.47Å; D214-S216 PolarHBondContact OD1-N 2.82Å; D214-A217 PolarHBondContact OD1-N 3.21Å; D214-G218 WeakPolarHBondContact O-CA 3.27Å; D214-G218 PolarHBondContact O-N 3.17Å; D214-Q219 PolarHBondContact N-O 2.92Å; D214-I221 HydrophobicContact CB-CD1 3.93Å; D214-I221 HydrophobicContact CB-CG1 4.18Å
215T98Very high97.4Very high3 Ų346 Ų462%0.01824%0.24CC..THydrogen-bonded Turntrans-81.9-16.7-175.755.70000113.7I168 L193 G197 T198 I200I168-T215 HydrophobicContact CD1-CG2 4.17Å; L193-T215 HydrophobicContact CD1-CG2 3.73Å; G197-T215 WeakPolarHBondContact O-CB 3.21Å; G197-T215 PolarHBondContact O-OG1 2.84Å; T198-T215 VanDerWaalsContact C-OG1 3.25Å; T198-T215 VanDerWaalsContact CA-OG1 3.26Å; T198-T215 WeakPolarHBondContact CA-OG1 3.38Å; T198-T215 PolarHBondContact O-N 2.69Å; T198-T215 VanDerWaalsContact O-N 3.09Å; T198-T215 PolarHBondContact O-OG1 3.46Å; I200-T215 HydrophobicContact CB-CG2 4Å; I200-T215 HydrophobicContact CG2-CG2 4.02Å
216S96.4Very high97.3Very high83 Ų8341.1 Ų41.158%0.5822%0.216SC*.THydrogen-bonded Turntrans-86.6-44.2-178.2-59.70000111.7D214D214-S216 WeakPolarHBondContact OD1-CA 3.11Å; D214-S216 WeakPolarHBondContact OD1-CB 3.47Å; D214-S216 PolarHBondContact OD1-N 2.82Å
217A95.2Very high97.1Very high62 Ų6235.1 Ų35.151%0.51219%0.192SC..THydrogen-bonded Turntrans-104.1-11.5-177.800000113.6D214 Q219D214-A217 PolarHBondContact OD1-N 3.21Å; A217-Q219 HydrophobicContact CB-CG 3.97Å; A217-Q219 PolarHBondContact O-N 2.79Å
218G97.6Very high96.8Very high15 Ų1538.7 Ų38.716%0.15522%0.217CC..  trans71.211.8-177.200000114.4D214D214-G218 WeakPolarHBondContact O-CA 3.27Å; D214-G218 PolarHBondContact O-N 3.17Å
219Q98Very high96.6Very high137 Ų13744.5 Ų44.564%0.6424%0.243SC*.  trans-79.3139-174.2-69.3-175.9-13.700111.9F213 D214 A217 I221F213-Q219 CarbonylContact C-O 3.59Å; F213-Q219 WeakPolarHBondContact CA-O 3.14Å; D214-Q219 PolarHBondContact N-O 2.92Å; A217-Q219 HydrophobicContact CB-CG 3.97Å; A217-Q219 PolarHBondContact O-N 2.79Å; Q219-I221 PolarHBondContact O-N 2.99Å
220L98.1Very high96.6Very high90 Ų9047.6 Ų47.647%0.47126%0.263SS..EExtended strand (participates in β ladder)trans-67.1118172.9-179.668.1000110.3R211 F213 Q222R211-L220 HydrophobicContact CB-CD1 3.75Å; R211-L220 HydrophobicContact CG-CD1 3.95Å; F213-L220 HydrophobicContact CD1-CB 3.98Å; F213-L220 HydrophobicContact CD1-CD1 4.13Å; F213-L220 HydrophobicContact CE1-CB 3.81Å; F213-L220 HydrophobicContact CE1-CD1 3.7Å; F213-L220 HydrophobicContact CE1-CG 4.34Å; F213-L220 HydrophobicContact CE2-CD1 4.23Å; F213-L220 HydrophobicContact CZ-CD1 3.75Å; L220-Q222 WeakPolarHBondContact CD1-O 3.44Å
221I96.8Very high96.5Very high62 Ų6247.7 Ų47.732%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-91.4-47.9177.3-54.7173.7000110.4R199 I212 D214 Q219R199-I221 HydrophobicContact CG-CD1 4Å; I212-I221 HydrophobicContact CG2-CD1 4.47Å; I212-I221 WeakPolarHBondContact O-CA 3.14Å; I212-I221 WeakPolarHBondContact O-CB 3.45Å; I212-I221 PolarHBondContact O-N 2.85Å; D214-I221 HydrophobicContact CB-CD1 3.93Å; D214-I221 HydrophobicContact CB-CG1 4.18Å; Q219-I221 PolarHBondContact O-N 2.99Å
222Q96.1Very high96.3Very high24 Ų2447.8 Ų47.811%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-141.7145.4-179.2-69.6-57.8-37.500112.2R211 I212 L220 L224 A259R211-Q222 WeakPolarHBondContact CA-O 3.19Å; I212-Q222 HydrophobicContact CB-CB 4.27Å; I212-Q222 HydrophobicContact CD1-CB 4.33Å; I212-Q222 HydrophobicContact CG1-CB 4.46Å; I212-Q222 PolarHBondContact N-O 3.02Å; I212-Q222 PolarHBondContact O-N 3.49Å; L220-Q222 WeakPolarHBondContact CD1-O 3.44Å; Q222-L224 HydrophobicContact CB-CD2 4.43Å; Q222-L224 HydrophobicContact CB-CG 4.35Å; Q222-A259 VanDerWaalsContact CG-O 3.29Å; Q222-A259 WeakPolarHBondContact CG-O 3.49Å
223E96.9Very high96.3Very high69 Ų6947.9 Ų47.932%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-117.7120.3164.1-175.7175.695.700108.8L209 R211L209-E223 HydrophobicContact CB-CG 4.45Å; L209-E223 HydrophobicContact CD1-CG 4.23Å; L209-E223 HydrophobicContact CD2-CG 4.03Å; L209-E223 HydrophobicContact CG-CG 4.47Å; R211-E223 HydrophobicContact CG-CB 4.4Å; R211-E223 HydrophobicContact CG-CG 4.12Å; R211-E223 IonicContact CZ-OE2 3.28Å; R211-E223 VanDerWaalsContact CZ-OE2 3.28Å; R211-E223 IonicContact NE-OE2 2.82Å; R211-E223 PolarHBondContact NE-OE2 3.13Å; R211-E223 IonicContact NH2-OE2 2.84Å; R211-E223 PolarHBondContact NH2-OE2 3.46Å
224L97.3Very high96.2Very high0 Ų050.6 Ų50.60%028%0.279CS..EExtended strand (participates in β ladder)trans-117129.1-173.3-58.6172.3000109.2L209 I210 I212 Q222 I245 F257 N265 K283L209-L224 CarbonylContact C-O 3.56Å; L209-L224 WeakPolarHBondContact CA-O 3.36Å; I210-L224 HydrophobicContact CB-CB 4.33Å; I210-L224 PolarHBondContact N-O 2.84Å; I210-L224 PolarHBondContact O-N 3Å; I212-L224 HydrophobicContact CD1-CD1 3.81Å; I212-L224 HydrophobicContact CG1-CD1 4.4Å; Q222-L224 HydrophobicContact CB-CD2 4.43Å; Q222-L224 HydrophobicContact CB-CG 4.35Å; L224-I245 HydrophobicContact CD1-CD1 3.49Å; L224-I245 VanDerWaalsContact CD1-CD1 3.49Å; L224-I245 HydrophobicContact CD1-CG1 4.02Å; L224-F257 HydrophobicContact CB-CD1 3.84Å; L224-F257 HydrophobicContact CB-CE1 3.96Å; L224-F257 HydrophobicContact CB-CG 4.36Å; L224-F257 HydrophobicContact CD1-CB 3.73Å; L224-F257 HydrophobicContact CD1-CD1 4.17Å; L224-F257 HydrophobicContact CD1-CG 3.95Å; L224-F257 HydrophobicContact CD2-CB 4.41Å; L224-F257 HydrophobicContact CD2-CD1 4.14Å; L224-F257 HydrophobicContact CG-CD1 4.27Å; L224-N265 WeakPolarHBondContact CD2-ND2 3.44Å; L224-K283 HydrophobicContact CD2-CB 4.24Å
225R96.8Very high96.2Very high32 Ų3249.2 Ų49.212%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-93.2113.4-179.9-175.9169.7-65.5-72.7-2.9110.5L209 F257 S282 K283 W284L209-R225 HydrophobicContact CD2-CB 4.14Å; L209-R225 HydrophobicContact CD2-CG 4.39Å; R225-F257 WeakPolarHBondContact O-CE1 3.26Å; R225-S282 PolarHBondContact NE-OG 2.94Å; R225-S282 PolarHBondContact NH2-OG 3.4Å; R225-S282 VanDerWaalsContact NH2-OG 3.1Å; R225-K283 PolarHBondContact N-O 3.34Å; R225-W284 HydrophobicContact CB-CD2 4.26Å; R225-W284 VanDerWaalsContact CD-CE2 3.47Å; R225-W284 VanDerWaalsContact CD-CH2 3.49Å; R225-W284 HydrophobicContact CG-CD2 4.12Å; R225-W284 HydrophobicContact CG-CE3 4.12Å; R225-W284 HydrophobicContact CG-CH2 3.88Å; R225-W284 HydrophobicContact CG-CZ2 3.85Å; R225-W284 HydrophobicContact CG-CZ3 4.03Å
226R95.3Very high96.2Very high13 Ų1349.2 Ų49.25%0.04927%0.273CS..  trans-73.1-46.6172-173.8-130.363.993.2-14.3111.6G207 T208 Q229 H255 F257G207-R226 PolarHBondContact O-NE 2.89Å; T208-R226 PolarHBondContact O-N 2.95Å; R226-Q229 PolarHBondContact NH2-O 3.3Å; R226-H255 PolarHBondContact NH1-NE2 2.98Å; R226-H255 PolarHBondContact O-CE1 2.88Å; R226-F257 HydrophobicContact CB-CZ 4.42Å
227G92.6Very high96.3Very high6 Ų646.4 Ų46.46%0.06225%0.251CS..  trans-166.6168-175.100000112.7T208T208-G227 WeakPolarHBondContact CB-O 3.45Å
228S90.2Very high96.5Very high75 Ų7543.6 Ų43.652%0.52423%0.228SC..SBendtrans-80.1-26.9171.1-49.90000112.2Y279S228-Y279 WeakPolarHBondContact OG-CE2 3.18Å; S228-Y279 PolarHBondContact OG-OH 2.88Å
229Q93.6Very high96.5Very high133 Ų13343.6 Ų43.662%0.62122%0.224SC*.SBendtrans-95.1146.9179.8-66.5177.1-4.900111.2T208 R226T208-Q229 WeakPolarHBondContact CG2-O 3.28Å; R226-Q229 PolarHBondContact NH2-O 3.3Å
230T96.8Very high96.4Very high88 Ų8844.6 Ų44.654%0.5423%0.228SC..  trans-54.3141.2170.3-58.70000110.4K206 H251K206-T230 VanDerWaalsContact O-CA 3.26Å; K206-T230 WeakPolarHBondContact O-CA 3.34Å; K206-T230 WeakPolarHBondContact O-CG2 3.34Å; T230-H251 PolarHBondContact O-NE2 3.5Å
231A96Very high96.2Very high1 Ų144.7 Ų44.71%0.00823%0.229CC..  trans-149.1140.1177.200000109.6G207 I233 D250G207-A231 WeakPolarHBondContact CA-O 3.49Å; A231-I233 PolarHBondContact O-N 3.46Å; A231-D250 WeakPolarHBondContact CA-OD1 3.29Å; A231-D250 WeakPolarHBondContact CB-OD1 3.36Å
232N95.2Very high96.2Very high54 Ų5441.8 Ų41.829%0.28922%0.215SC..  trans-76114170.1-174.428.1000109.4K142 Y234 S249 D250K142-N232 PolarHBondContact NZ-OD1 2.94Å; N232-Y234 VanDerWaalsContact ND2-CE1 3.29Å; N232-Y234 WeakPolarHBondContact ND2-CE1 3.21Å; N232-S249 WeakPolarHBondContact O-CA 3.28Å; N232-S249 VanDerWaalsContact O-CB 3.29Å; N232-S249 WeakPolarHBondContact O-CB 3.38Å; N232-D250 HydrophobicContact CB-CB 4.13Å; N232-D250 VanDerWaalsContact CB-OD2 3.26Å; N232-D250 WeakPolarHBondContact CB-OD2 2.85Å; N232-D250 PolarHBondContact N-OD1 2.78Å; N232-D250 PolarHBondContact N-OD2 2.83Å; N232-D250 PolarHBondContact O-N 2.86Å
233I97.9Very high96.3Very high3 Ų341.5 Ų41.52%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-79.4123.7178.3-52.6-54.9000109.3C190 A203 I210 A231 I236 V247C190-I233 HydrophobicContact CB-CB 4.24Å; C190-I233 HydrophobicContact CB-CG2 3.91Å; A203-I233 HydrophobicContact CB-CB 4.22Å; A203-I233 HydrophobicContact CB-CG1 3.81Å; A203-I233 HydrophobicContact CB-CG2 4.38Å; I210-I233 HydrophobicContact CD1-CD1 4.28Å; I210-I233 HydrophobicContact CD1-CG1 4.24Å; A231-I233 PolarHBondContact O-N 3.46Å; I233-I236 HydrophobicContact CG2-CD1 4.25Å; I233-I236 HydrophobicContact CG2-CG1 3.92Å; I233-V247 HydrophobicContact CD1-CG1 4.23Å; I233-V247 HydrophobicContact CG2-CG1 3.86Å
234Y96.9Very high96.3Very high68 Ų6838.6 Ų38.627%0.26720%0.202SC..EExtended strand (participates in β ladder)trans-93.2-36.2-179.2-68.3-49.8000113.2N232 S248 S249 D250 P296N232-Y234 VanDerWaalsContact ND2-CE1 3.29Å; N232-Y234 WeakPolarHBondContact ND2-CE1 3.21Å; Y234-S248 PolarHBondContact N-O 2.86Å; Y234-S249 VanDerWaalsContact CD2-C 3.41Å; Y234-S249 VanDerWaalsContact CE2-C 3.48Å; Y234-D250 HydrophobicContact CE2-CB 3.82Å; Y234-D250 WeakPolarHBondContact OH-CB 3.29Å; Y234-P296 HydrophobicContact CD2-CB 3.93Å; Y234-P296 HydrophobicContact CE1-CB 4.19Å; Y234-P296 HydrophobicContact CE2-CB 3.48Å; Y234-P296 VanDerWaalsContact CE2-CB 3.48Å; Y234-P296 HydrophobicContact CE2-CG 3.84Å; Y234-P296 HydrophobicContact CG-CB 4.44Å
235C98.3Very high96.4Very high15 Ų1538.6 Ų38.610%0.10120%0.202CC..EExtended strand (participates in β ladder)trans-155143.7-175.6-1640000110.7V247 S248 V298 C299C235-V247 WeakPolarHBondContact O-CA 2.99Å; C235-S248 VanDerWaalsContact CB-OG 3.25Å; C235-S248 WeakPolarHBondContact CB-OG 3.17Å; C235-S248 PolarHBondContact N-OG 2.85Å; C235-S248 PolarHBondContact O-N 3.29Å; C235-V298 HydrophobicContact CB-CB 4.19Å; C235-V298 HydrophobicContact CB-CG1 4.29Å; C235-C299 PolarHBondContact SG-O 2.93Å
236I98.8Very high96.5Very high4 Ų437 Ų372%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-129.5135.8165.9-58.7166.2000105.8C190 A192 A201 A203 I210 I233 C246 V247C190-I236 HydrophobicContact CB-CD1 4.06Å; C190-I236 HydrophobicContact CB-CG1 4.47Å; A192-I236 HydrophobicContact CB-CB 3.81Å; A192-I236 HydrophobicContact CB-CG2 3.84Å; A192-I236 WeakPolarHBondContact CB-O 3.32Å; A201-I236 HydrophobicContact CB-CG2 3.75Å; A203-I236 HydrophobicContact CB-CD1 4.05Å; I210-I236 HydrophobicContact CD1-CD1 4.27Å; I210-I236 HydrophobicContact CG2-CD1 4Å; I233-I236 HydrophobicContact CG2-CD1 4.25Å; I233-I236 HydrophobicContact CG2-CG1 3.92Å; I236-C246 WeakPolarHBondContact CA-O 3.36Å; I236-V247 HydrophobicContact CG1-CG1 4.15Å; I236-V247 HydrophobicContact CG1-CG2 4.21Å; I236-V247 HydrophobicContact CG2-CG2 4.32Å
237N98.7Very high96.6Very high23 Ų2336.5 Ų36.512%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-142.4144.8168.9-86.7-38.2000110.8H22 I245 C246 C299H22-N237 PolarHBondContact NE2-OD1 2.78Å; H22-N237 VanDerWaalsContact NE2-OD1 3.1Å; N237-I245 CarbonylContact O-C 3.54Å; N237-I245 VanDerWaalsContact O-CA 3.25Å; N237-I245 WeakPolarHBondContact O-CA 3.29Å; N237-C246 PolarHBondContact N-O 3.1Å; N237-C246 PolarHBondContact O-N 3.47Å; N237-C299 PolarHBondContact ND2-O 3.34Å
238F98.6Very high96.9Very high4 Ų436.2 Ų36.22%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-82.2153.1167.9-70.6-92.3000110H22 N194 R199 A201 I212 A242 L244 I245 A259H22-F238 PolarHBondContact CE1-O 2.74Å; N194-F238 HydrophobicContact CB-CB 4.01Å; N194-F238 HydrophobicContact CB-CD1 4.15Å; N194-F238 HydrophobicContact CB-CD2 3.81Å; N194-F238 HydrophobicContact CB-CE2 4.29Å; N194-F238 HydrophobicContact CB-CG 3.73Å; R199-F238 HydrophobicContact CB-CE1 4.27Å; R199-F238 HydrophobicContact CB-CZ 4.04Å; A201-F238 HydrophobicContact CB-CE2 3.68Å; A201-F238 HydrophobicContact CB-CZ 3.71Å; I212-F238 HydrophobicContact CD1-CE1 4.29Å; I212-F238 HydrophobicContact CG2-CE1 4.32Å; I212-F238 HydrophobicContact CG2-CZ 4.09Å; F238-A242 HydrophobicContact CB-CB 4.42Å; F238-A242 HydrophobicContact CD1-CB 3.73Å; F238-A242 HydrophobicContact CE1-CB 4.38Å; F238-A242 HydrophobicContact CG-CB 4.34Å; F238-L244 WeakPolarHBondContact CA-O 3.42Å; F238-I245 HydrophobicContact CD1-CG2 3.3Å; F238-I245 HydrophobicContact CD2-CG2 4.3Å; F238-I245 HydrophobicContact CE1-CG2 3.42Å; F238-I245 VanDerWaalsContact CE1-CG2 3.42Å; F238-I245 HydrophobicContact CE2-CG2 4.39Å; F238-I245 HydrophobicContact CG-CG2 3.79Å; F238-I245 HydrophobicContact CZ-CG2 3.99Å; F238-A259 HydrophobicContact CE1-CB 4.5Å
239N97.7Very high97.2Very high15 Ų1532.7 Ų32.78%0.0817%0.167CC..  trans-75.2177160.772.6-27.5000110.5D241 A242 S243 L244 F301N239-D241 VanDerWaalsContact C-N 3.33Å; N239-D241 PolarHBondContact ND2-OD1 2.84Å; N239-D241 PolarHBondContact O-N 2.98Å; N239-D241 PolarHBondContact OD1-OD1 3.41Å; N239-D241 VanDerWaalsContact OD1-OD1 3.05Å; N239-A242 PolarHBondContact O-N 2.75Å; N239-A242 VanDerWaalsContact OD1-CA 3.31Å; N239-A242 WeakPolarHBondContact OD1-CA 3.37Å; N239-A242 PolarHBondContact OD1-N 3.35Å; N239-A242 VanDerWaalsContact OD1-N 3.15Å; N239-S243 PolarHBondContact ND2-OG 3.44Å; N239-S243 VanDerWaalsContact ND2-OG 3.13Å; N239-S243 PolarHBondContact OD1-N 3.34Å; N239-L244 HydrophobicContact CB-CB 4.3Å; N239-L244 PolarHBondContact N-O 2.95Å; N239-L244 PolarHBondContact OD1-N 2.87Å; N239-L244 PolarHBondContact OD1-O 3.38Å; N239-L244 VanDerWaalsContact OD1-O 3.12Å; N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.86Å; N239-F301 HydrophobicContact CB-CD2 3.41Å; N239-F301 VanDerWaalsContact CB-CD2 3.41Å; N239-F301 HydrophobicContact CB-CE1 4.12Å; N239-F301 HydrophobicContact CB-CE2 3.69Å; N239-F301 HydrophobicContact CB-CG 3.5Å; N239-F301 VanDerWaalsContact CB-CG 3.5Å; N239-F301 HydrophobicContact CB-CZ 4.04Å; N239-F301 VanDerWaalsContact N-CD2 3.31Å; N239-F301 VanDerWaalsContact N-CE2 3.33Å
240Q95Very high97.2Very high157 Ų15729.6 Ų29.673%0.73416%0.155SC*.THydrogen-bonded Turntrans-58.9-38.4-169.9-170.5179.6-0.700114.5L195 Q196L195-Q240 HydrophobicContact CD1-CG 4.23Å; Q196-Q240 PolarHBondContact NE2-O 3.07Å
241D95.3Very high96.8Very high92 Ų9229 Ų2949%0.49215%0.146SC..THydrogen-bonded Turntrans-95.53179.667.5-1.3000113.4N239 S243N239-D241 VanDerWaalsContact C-N 3.33Å; N239-D241 PolarHBondContact ND2-OD1 2.84Å; N239-D241 PolarHBondContact O-N 2.98Å; N239-D241 PolarHBondContact OD1-OD1 3.41Å; N239-D241 VanDerWaalsContact OD1-OD1 3.05Å; D241-S243 VanDerWaalsContact CG-OG 3.27Å; D241-S243 PolarHBondContact O-N 2.98Å; D241-S243 VanDerWaalsContact OD1-CB 3.23Å; D241-S243 WeakPolarHBondContact OD1-CB 3.26Å; D241-S243 PolarHBondContact OD1-N 3.16Å; D241-S243 PolarHBondContact OD1-OG 3.46Å; D241-S243 PolarHBondContact OD2-OG 2.81Å
242A96.9Very high96.2Very high1 Ų129.1 Ų29.11%0.00815%0.146CC..SBendtrans58.318.9-175.400000115.2N194 R199 F238 N239 L244 A259N194-A242 HydrophobicContact CB-CB 3.77Å; R199-A242 PolarHBondContact NH1-O 2.97Å; F238-A242 HydrophobicContact CB-CB 4.42Å; F238-A242 HydrophobicContact CD1-CB 3.73Å; F238-A242 HydrophobicContact CE1-CB 4.38Å; F238-A242 HydrophobicContact CG-CB 4.34Å; N239-A242 PolarHBondContact O-N 2.75Å; N239-A242 VanDerWaalsContact OD1-CA 3.31Å; N239-A242 WeakPolarHBondContact OD1-CA 3.37Å; N239-A242 PolarHBondContact OD1-N 3.35Å; N239-A242 VanDerWaalsContact OD1-N 3.15Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-A259 WeakPolarHBondContact O-CB 3.15Å
243S97Very high96.1Very high19 Ų1927.4 Ų27.413%0.13314%0.138CC..SBendtrans-74.4-22.5173.967.70000112.7N239 D241 A259 E260N239-S243 PolarHBondContact ND2-OG 3.44Å; N239-S243 VanDerWaalsContact ND2-OG 3.13Å; N239-S243 PolarHBondContact OD1-N 3.34Å; D241-S243 VanDerWaalsContact CG-OG 3.27Å; D241-S243 PolarHBondContact O-N 2.98Å; D241-S243 VanDerWaalsContact OD1-CB 3.23Å; D241-S243 WeakPolarHBondContact OD1-CB 3.26Å; D241-S243 PolarHBondContact OD1-N 3.16Å; D241-S243 PolarHBondContact OD1-OG 3.46Å; D241-S243 PolarHBondContact OD2-OG 2.81Å; S243-A259 PolarHBondContact O-N 2.8Å; S243-E260 PolarHBondContact O-N 3.1Å
244L98.1Very high96.1Very high7 Ų727.3 Ų27.34%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-129.5154.8179.5-55.5-179.4000112.1F238 N239 A242 F257 A258 F286 F301 F322F238-L244 WeakPolarHBondContact CA-O 3.42Å; N239-L244 HydrophobicContact CB-CB 4.3Å; N239-L244 PolarHBondContact N-O 2.95Å; N239-L244 PolarHBondContact OD1-N 2.87Å; N239-L244 PolarHBondContact OD1-O 3.38Å; N239-L244 VanDerWaalsContact OD1-O 3.12Å; A242-L244 VanDerWaalsContact C-N 3.31Å; L244-F257 CarbonylContact C-O 3.19Å; L244-F257 VanDerWaalsContact CA-O 3.26Å; L244-F257 WeakPolarHBondContact CA-O 3.4Å; L244-A258 HydrophobicContact CD2-CB 4.28Å; L244-F286 HydrophobicContact CD2-CE1 3.83Å; L244-F286 HydrophobicContact CD2-CZ 4.04Å; L244-F301 HydrophobicContact CB-CE1 3.86Å; L244-F301 HydrophobicContact CB-CE2 4.3Å; L244-F301 HydrophobicContact CB-CZ 3.47Å; L244-F301 VanDerWaalsContact CB-CZ 3.47Å; L244-F301 HydrophobicContact CD1-CE1 3.84Å; L244-F301 HydrophobicContact CD1-CZ 4.33Å; L244-F322 HydrophobicContact CD1-CE2 3.99Å; L244-F322 HydrophobicContact CD1-CZ 3.69Å
245I98.6Very high96.2Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-128.1146.2163.961.8163.4000111.4I210 I212 L224 N237 F238 V247 I256 F257 A259I210-I245 HydrophobicContact CG2-CD1 3.94Å; I212-I245 HydrophobicContact CD1-CD1 4.22Å; I212-I245 HydrophobicContact CD1-CG2 4.34Å; L224-I245 HydrophobicContact CD1-CD1 3.49Å; L224-I245 VanDerWaalsContact CD1-CD1 3.49Å; L224-I245 HydrophobicContact CD1-CG1 4.02Å; N237-I245 CarbonylContact O-C 3.54Å; N237-I245 VanDerWaalsContact O-CA 3.25Å; N237-I245 WeakPolarHBondContact O-CA 3.29Å; F238-I245 HydrophobicContact CD1-CG2 3.3Å; F238-I245 HydrophobicContact CD2-CG2 4.3Å; F238-I245 HydrophobicContact CE1-CG2 3.42Å; F238-I245 VanDerWaalsContact CE1-CG2 3.42Å; F238-I245 HydrophobicContact CE2-CG2 4.39Å; F238-I245 HydrophobicContact CG-CG2 3.79Å; F238-I245 HydrophobicContact CZ-CG2 3.99Å; I245-V247 HydrophobicContact CD1-CG2 3.93Å; I245-V247 HydrophobicContact CG1-CG2 4.45Å; I245-I256 WeakPolarHBondContact O-CA 3.34Å; I245-F257 HydrophobicContact CD1-CB 4.43Å; I245-F257 HydrophobicContact CD1-CD2 4.2Å; I245-F257 HydrophobicContact CG1-CB 3.8Å; I245-F257 HydrophobicContact CG1-CD2 4.04Å; I245-F257 HydrophobicContact CG1-CG 4.33Å; I245-F257 PolarHBondContact N-O 3.4Å; I245-F257 PolarHBondContact O-N 2.81Å; I245-A259 HydrophobicContact CG2-CB 4.26Å
246C98.6Very high96.2Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-109.5142.116762.80000110.2I236 N237 V254 H255 C299 F301 V308I236-C246 WeakPolarHBondContact CA-O 3.36Å; N237-C246 PolarHBondContact N-O 3.1Å; N237-C246 PolarHBondContact O-N 3.47Å; C246-V254 HydrophobicContact CB-CG1 4.31Å; C246-H255 CarbonylContact C-O 3.56Å; C246-H255 VanDerWaalsContact CA-O 3.28Å; C246-H255 WeakPolarHBondContact CA-O 3.23Å; C246-C299 VanDerWaalsContact SG-SG 3.64Å; C246-F301 HydrophobicContact CB-CE2 3.94Å; C246-F301 HydrophobicContact CB-CZ 4.06Å; C246-V308 HydrophobicContact CB-CG1 4.16Å
247V98.8Very high96.2Very high1 Ų123.6 Ų23.61%0.00612%0.121CC..EExtended strand (participates in β ladder)trans-137.7120.7-175.7-175.70000110I210 I233 C235 I236 I245 V254 H255 F257I210-V247 HydrophobicContact CD1-CG1 3.95Å; I210-V247 HydrophobicContact CG1-CG1 4.29Å; I210-V247 HydrophobicContact CG1-CG2 4.24Å; I233-V247 HydrophobicContact CD1-CG1 4.23Å; I233-V247 HydrophobicContact CG2-CG1 3.86Å; C235-V247 WeakPolarHBondContact O-CA 2.99Å; I236-V247 HydrophobicContact CG1-CG1 4.15Å; I236-V247 HydrophobicContact CG1-CG2 4.21Å; I236-V247 HydrophobicContact CG2-CG2 4.32Å; I245-V247 HydrophobicContact CD1-CG2 3.93Å; I245-V247 HydrophobicContact CG1-CG2 4.45Å; V247-V254 CarbonylContact O-C 3.56Å; V247-V254 WeakPolarHBondContact O-CA 3.25Å; V247-H255 PolarHBondContact N-O 3.08Å; V247-H255 PolarHBondContact O-N 3.04Å; V247-F257 HydrophobicContact CB-CE2 4.26Å; V247-F257 HydrophobicContact CG2-CD2 4.14Å; V247-F257 HydrophobicContact CG2-CE2 3.91Å
248S98.3Very high96.1Very high0 Ų022.5 Ų22.50%012%0.115CC..EExtended strand (participates in β ladder)trans-105.5147.4175.661.60000112Y234 C235 C297 C299Y234-S248 PolarHBondContact N-O 2.86Å; C235-S248 VanDerWaalsContact CB-OG 3.25Å; C235-S248 WeakPolarHBondContact CB-OG 3.17Å; C235-S248 PolarHBondContact N-OG 2.85Å; C235-S248 PolarHBondContact O-N 3.29Å; S248-C297 WeakPolarHBondContact CB-O 3.39Å; S248-C297 PolarHBondContact OG-O 3.22Å; S248-C299 PolarHBondContact N-SG 3.3Å
249S96.1Very high95.9Very high1 Ų122.3 Ų22.31%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-143.6174177.690.70000113.4N232 Y234 H251 G252 T253N232-S249 WeakPolarHBondContact O-CA 3.28Å; N232-S249 VanDerWaalsContact O-CB 3.29Å; N232-S249 WeakPolarHBondContact O-CB 3.38Å; Y234-S249 VanDerWaalsContact CD2-C 3.41Å; Y234-S249 VanDerWaalsContact CE2-C 3.48Å; S249-H251 PolarHBondContact O-N 2.92Å; S249-H251 PolarHBondContact OG-N 3.32Å; S249-G252 PolarHBondContact O-N 2.98Å; S249-G252 VanDerWaalsContact O-N 3.16Å; S249-T253 PolarHBondContact N-O 2.97Å
250D92.9Very high95.6Very high69 Ų6926 Ų2637%0.36913%0.131SC..THydrogen-bonded Turntrans-62.5-7.1172.262.2-11.8000116A231 N232 Y234 G252A231-D250 WeakPolarHBondContact CA-OD1 3.29Å; A231-D250 WeakPolarHBondContact CB-OD1 3.36Å; N232-D250 HydrophobicContact CB-CB 4.13Å; N232-D250 VanDerWaalsContact CB-OD2 3.26Å; N232-D250 WeakPolarHBondContact CB-OD2 2.85Å; N232-D250 PolarHBondContact N-OD1 2.78Å; N232-D250 PolarHBondContact N-OD2 2.83Å; N232-D250 PolarHBondContact O-N 2.86Å; Y234-D250 HydrophobicContact CE2-CB 3.82Å; Y234-D250 WeakPolarHBondContact OH-CB 3.29Å; D250-G252 PolarHBondContact O-N 2.65Å
251H88.8Confident95.3Very high76 Ų7621.9 Ų21.935%0.35211%0.114SC..THydrogen-bonded Turntrans-79.77.9169.6-76.1-135.9000112T230 S249 T253T230-H251 PolarHBondContact O-NE2 3.5Å; S249-H251 PolarHBondContact O-N 2.92Å; S249-H251 PolarHBondContact OG-N 3.32Å; H251-T253 PolarHBondContact O-N 2.95Å
252G84.8Confident94.7Very high2 Ų219.2 Ų19.22%0.02110%0.102CC..SBendtrans64.919.8-178.800000113.5S249 D250 Q290 V291S249-G252 PolarHBondContact O-N 2.98Å; S249-G252 VanDerWaalsContact O-N 3.16Å; D250-G252 PolarHBondContact O-N 2.65Å; G252-Q290 CarbonylContact O-C 3.57Å; G252-Q290 VanDerWaalsContact O-CA 3.31Å; G252-Q290 WeakPolarHBondContact O-CA 3.37Å; G252-Q290 VanDerWaalsContact O-CG 3.25Å; G252-Q290 WeakPolarHBondContact O-CG 2.98Å; G252-V291 VanDerWaalsContact O-CG2 3.3Å; G252-V291 WeakPolarHBondContact O-CG2 3.46Å; G252-V291 PolarHBondContact O-N 3.28Å
253T92.9Very high94.2Very high19 Ų1928.4 Ų28.412%0.11714%0.141CC..EExtended strand (participates in β ladder)trans-118.1144.3-176.650.80000111.4S249 H251 F289 Q290S249-T253 PolarHBondContact N-O 2.97Å; H251-T253 PolarHBondContact O-N 2.95Å; T253-F289 CarbonylContact C-O 3.53Å; T253-F289 VanDerWaalsContact CA-O 3.31Å; T253-F289 WeakPolarHBondContact CA-O 3.21Å; T253-Q290 HydrophobicContact CG2-CB 4.21Å; T253-Q290 HydrophobicContact CG2-CG 4.23Å
254V98Very high93.9Very high0 Ų032.3 Ų32.30%015%0.153CC..EExtended strand (participates in β ladder)trans-111.3119.9169-1760000107.8C246 V247 K288 F289 C299 V308 A310C246-V254 HydrophobicContact CB-CG1 4.31Å; V247-V254 CarbonylContact O-C 3.56Å; V247-V254 WeakPolarHBondContact O-CA 3.25Å; V254-K288 CarbonylContact O-C 3.56Å; V254-K288 WeakPolarHBondContact O-CA 3.33Å; V254-K288 WeakPolarHBondContact O-CB 3.29Å; V254-F289 HydrophobicContact CB-CD1 4.29Å; V254-F289 HydrophobicContact CB-CD2 4.25Å; V254-F289 HydrophobicContact CB-CE1 3.76Å; V254-F289 HydrophobicContact CB-CE2 3.72Å; V254-F289 HydrophobicContact CB-CZ 3.46Å; V254-F289 VanDerWaalsContact CB-CZ 3.46Å; V254-F289 HydrophobicContact CG1-CE1 3.9Å; V254-F289 HydrophobicContact CG1-CE2 4.48Å; V254-F289 HydrophobicContact CG1-CZ 3.75Å; V254-F289 HydrophobicContact CG2-CD2 4.41Å; V254-F289 HydrophobicContact CG2-CE2 3.65Å; V254-F289 HydrophobicContact CG2-CZ 3.73Å; V254-F289 PolarHBondContact N-O 3.34Å; V254-F289 PolarHBondContact O-N 2.9Å; V254-C299 HydrophobicContact CG1-CB 3.9Å; V254-C299 HydrophobicContact CG2-CB 4.35Å; V254-V308 HydrophobicContact CG1-CG1 4.09Å; V254-A310 HydrophobicContact CG2-CB 4.47Å
255H98.4Very high93.6Very high8 Ų832.4 Ų32.44%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-97.6141.5177.6-73.1-100.9000110.5R226 C246 V247 F257 S285R226-H255 PolarHBondContact NH1-NE2 2.98Å; R226-H255 PolarHBondContact O-CE1 2.88Å; C246-H255 CarbonylContact C-O 3.56Å; C246-H255 VanDerWaalsContact CA-O 3.28Å; C246-H255 WeakPolarHBondContact CA-O 3.23Å; V247-H255 PolarHBondContact N-O 3.08Å; V247-H255 PolarHBondContact O-N 3.04Å; H255-F257 HydrophobicContact CB-CD2 4.22Å; H255-F257 HydrophobicContact CB-CE2 3.41Å; H255-F257 VanDerWaalsContact CB-CE2 3.41Å; H255-F257 HydrophobicContact CB-CZ 3.88Å; H255-S285 PolarHBondContact ND1-OG 3.01Å
256I98.4Very high93.2Very high1 Ų138.2 Ų38.21%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-118.8124.4175.8-46.6174.3000108.6I245 S285 F286 S287 F289 F301 V308 F322I245-I256 WeakPolarHBondContact O-CA 3.34Å; I256-S285 CarbonylContact O-C 3.46Å; I256-S285 VanDerWaalsContact O-CA 3.3Å; I256-S285 WeakPolarHBondContact O-CA 3.44Å; I256-S285 VanDerWaalsContact O-CB 3.25Å; I256-S285 WeakPolarHBondContact O-CB 3.31Å; I256-F286 HydrophobicContact CB-CE1 4.45Å; I256-F286 HydrophobicContact CB-CZ 4.2Å; I256-F286 HydrophobicContact CG2-CE1 3.88Å; I256-F286 HydrophobicContact CG2-CE2 4.35Å; I256-F286 HydrophobicContact CG2-CZ 3.54Å; I256-F286 WeakPolarHBondContact O-CD1 3.25Å; I256-F286 PolarHBondContact O-N 3.06Å; I256-F286 VanDerWaalsContact O-N 3.15Å; I256-S287 PolarHBondContact N-O 3.1Å; I256-S287 PolarHBondContact O-N 3.37Å; I256-F289 HydrophobicContact CD1-CE1 4.49Å; I256-F301 HydrophobicContact CG2-CE1 4.25Å; I256-F301 HydrophobicContact CG2-CZ 4.26Å; I256-V308 HydrophobicContact CD1-CB 4.48Å; I256-V308 HydrophobicContact CD1-CG2 3.61Å; I256-V308 HydrophobicContact CG1-CG2 4.13Å; I256-F322 HydrophobicContact CD1-CB 3.94Å; I256-F322 HydrophobicContact CD1-CD1 3.47Å; I256-F322 VanDerWaalsContact CD1-CD1 3.47Å; I256-F322 HydrophobicContact CD1-CD2 4.32Å; I256-F322 HydrophobicContact CD1-CE1 4Å; I256-F322 HydrophobicContact CD1-CG 3.64Å; I256-F322 HydrophobicContact CG2-CZ 4.44Å
257F98.3Very high92.6Very high0 Ų043.2 Ų43.20%020%0.202CC..EExtended strand (participates in β ladder)trans-120.3146.7-179.3-57.3-99000110.6L224 R225 R226 L244 I245 V247 H255 S285L224-F257 HydrophobicContact CB-CD1 3.84Å; L224-F257 HydrophobicContact CB-CE1 3.96Å; L224-F257 HydrophobicContact CB-CG 4.36Å; L224-F257 HydrophobicContact CD1-CB 3.73Å; L224-F257 HydrophobicContact CD1-CD1 4.17Å; L224-F257 HydrophobicContact CD1-CG 3.95Å; L224-F257 HydrophobicContact CD2-CB 4.41Å; L224-F257 HydrophobicContact CD2-CD1 4.14Å; L224-F257 HydrophobicContact CG-CD1 4.27Å; R225-F257 WeakPolarHBondContact O-CE1 3.26Å; R226-F257 HydrophobicContact CB-CZ 4.42Å; L244-F257 CarbonylContact C-O 3.19Å; L244-F257 VanDerWaalsContact CA-O 3.26Å; L244-F257 WeakPolarHBondContact CA-O 3.4Å; I245-F257 HydrophobicContact CD1-CB 4.43Å; I245-F257 HydrophobicContact CD1-CD2 4.2Å; I245-F257 HydrophobicContact CG1-CB 3.8Å; I245-F257 HydrophobicContact CG1-CD2 4.04Å; I245-F257 HydrophobicContact CG1-CG 4.33Å; I245-F257 PolarHBondContact N-O 3.4Å; I245-F257 PolarHBondContact O-N 2.81Å; V247-F257 HydrophobicContact CB-CE2 4.26Å; V247-F257 HydrophobicContact CG2-CD2 4.14Å; V247-F257 HydrophobicContact CG2-CE2 3.91Å; H255-F257 HydrophobicContact CB-CD2 4.22Å; H255-F257 HydrophobicContact CB-CE2 3.41Å; H255-F257 VanDerWaalsContact CB-CE2 3.41Å; H255-F257 HydrophobicContact CB-CZ 3.88Å; F257-S285 VanDerWaalsContact CD1-CA 3.43Å; F257-S285 VanDerWaalsContact CD1-N 3.35Å
258A96.7Very high91.6Very high0 Ų045.2 Ų45.20%022%0.216CC..EExtended strand (participates in β ladder)trans-77123.5161.300000108.5L244 D261 R264 N265 F286L244-A258 HydrophobicContact CD2-CB 4.28Å; A258-D261 WeakPolarHBondContact CB-O 3.48Å; A258-R264 HydrophobicContact CB-CB 3.77Å; A258-N265 PolarHBondContact N-OD1 2.85Å; A258-N265 PolarHBondContact O-ND2 3.09Å; A258-F286 HydrophobicContact CB-CD1 4.36Å; A258-F286 HydrophobicContact CB-CE1 4.35Å
259A95.2Very high90.3Very high0 Ų050.7 Ų50.70%026%0.255CS..SBendtrans-89.7-29.2179.200000112I212 Q222 F238 A242 S243 I245I212-A259 HydrophobicContact CD1-CB 3.63Å; Q222-A259 VanDerWaalsContact CG-O 3.29Å; Q222-A259 WeakPolarHBondContact CG-O 3.49Å; F238-A259 HydrophobicContact CE1-CB 4.5Å; A242-A259 WeakPolarHBondContact O-CB 3.15Å; S243-A259 PolarHBondContact O-N 2.8Å; I245-A259 HydrophobicContact CG2-CB 4.26Å
260E90.8Very high89Confident92 Ų9254.9 Ų54.943%0.4328%0.277SS..SBendtrans-100.6-48.7-178.5-75.1-17115800114.3R199 S243 P262R199-E260 IonicContact CZ-OE1 3.87Å; R199-E260 VanDerWaalsContact CZ-OE1 3.23Å; R199-E260 IonicContact NH1-OE1 3.7Å; R199-E260 PolarHBondContact NH1-OE1 2.87Å; R199-E260 IonicContact NH2-OE1 3.14Å; R199-E260 PolarHBondContact NH2-OE1 3.33Å; S243-E260 PolarHBondContact O-N 3.1Å; E260-P262 WeakPolarHBondContact O-CD 3.36Å
261D89Confident87.8Confident72 Ų7252.8 Ų52.839%0.38527%0.269SS..  trans-100.291.4179.7-177.87.2000110.2A258 K263 R264A258-D261 WeakPolarHBondContact CB-O 3.48Å; D261-K263 PolarHBondContact O-N 3.41Å; D261-K263 VanDerWaalsContact O-N 3.1Å; D261-K263 VanDerWaalsContact OD1-CB 3.3Å; D261-K263 WeakPolarHBondContact OD1-CB 3.38Å; D261-K263 PolarHBondContact OD1-N 3.15Å; D261-R264 HydrophobicContact CB-CG 4.33Å; D261-R264 PolarHBondContact O-N 2.65Å
262P82.1Confident86.7Confident36 Ų3654.7 Ų54.723%0.23429%0.291CS..G310 helixtrans-64.8-15.4-178.327.5-36.8000113.6E260 R264 N265 K283E260-P262 WeakPolarHBondContact O-CD 3.36Å; P262-R264 PolarHBondContact O-N 3.09Å; P262-N265 WeakPolarHBondContact O-CB 3.49Å; P262-N265 PolarHBondContact O-N 3.27Å; P262-N265 VanDerWaalsContact O-N 3.16Å; P262-K283 HydrophobicContact CB-CD 3.54Å; P262-K283 VanDerWaalsContact CB-CE 3.46Å
263K87Confident85.9Confident193 Ų19355.6 Ų55.684%0.83930%0.298SS*.G310 helixtrans-69-22.7178.7-61.2177.2179.1175.80112.2D261 N265D261-K263 PolarHBondContact O-N 3.41Å; D261-K263 VanDerWaalsContact O-N 3.1Å; D261-K263 VanDerWaalsContact OD1-CB 3.3Å; D261-K263 WeakPolarHBondContact OD1-CB 3.38Å; D261-K263 PolarHBondContact OD1-N 3.15Å; K263-N265 VanDerWaalsContact C-N 3.29Å
264R90.8Very high84.6Confident102 Ų10260.6 Ų60.639%0.38533%0.334SS..G310 helixtrans-71.7-26.4173.7-68174.761.7-173.1-2.1112.2A258 D261 P262 F286A258-R264 HydrophobicContact CB-CB 3.77Å; D261-R264 HydrophobicContact CB-CG 4.33Å; D261-R264 PolarHBondContact O-N 2.65Å; P262-R264 PolarHBondContact O-N 3.09Å; R264-F286 WeakPolarHBondContact O-CB 3.46Å
265N92.5Very high83.3Confident9 Ų968.7 Ų68.75%0.04837%0.369CS..SBendtrans-73146.3178.8-72-33.3000111L224 A258 P262 K263 K283 W284L224-N265 WeakPolarHBondContact CD2-ND2 3.44Å; A258-N265 PolarHBondContact N-OD1 2.85Å; A258-N265 PolarHBondContact O-ND2 3.09Å; P262-N265 WeakPolarHBondContact O-CB 3.49Å; P262-N265 PolarHBondContact O-N 3.27Å; P262-N265 VanDerWaalsContact O-N 3.16Å; K263-N265 VanDerWaalsContact C-N 3.29Å; N265-K283 HydrophobicContact CB-CB 4.09Å; N265-W284 CarbonylContact C-O 3.59Å; N265-W284 WeakPolarHBondContact CA-O 3.28Å; N265-W284 WeakPolarHBondContact CB-O 3.32Å
266K88.4Confident81.7Confident121 Ų12170.9 Ų70.953%0.52638%0.381SS..BIsolated β-bridgetrans-68.3137.6177-73.2174.3-176.31740109.3W284 F286K266-W284 HydrophobicContact CB-CB 4.04Å; K266-W284 PolarHBondContact N-O 2.85Å; K266-W284 WeakPolarHBondContact O-CB 3.49Å; K266-W284 PolarHBondContact O-N 3.43Å; K266-F286 VanDerWaalsContact CE-O 3.29Å; K266-F286 WeakPolarHBondContact CE-O 3.3Å; K266-F286 PolarHBondContact NZ-O 3.2Å
267Q86.4Confident80.1Confident105 Ų10574.8 Ų74.849%0.49141%0.407SS..  trans-136152.3176.7-160.2177.813.100109A271 S281Q267-A271 VanDerWaalsContact CD-CB 3.48Å; Q267-A271 HydrophobicContact CG-CB 3.61Å; Q267-S281 PolarHBondContact NE2-O 2.9Å; Q267-S281 VanDerWaalsContact NE2-O 3.13Å
268S78.3Confident78.6Confident43 Ų4383.7 Ų83.730%0.30145%0.445SS..  trans-63.1142.3173.9-1750000110.1L270 A271 F280S268-L270 PolarHBondContact O-N 3.45Å; S268-L270 VanDerWaalsContact O-N 3.14Å; S268-L270 PolarHBondContact OG-N 3.43Å; S268-A271 WeakPolarHBondContact O-CB 3.43Å; S268-A271 PolarHBondContact O-N 3.02Å; S268-F280 WeakPolarHBondContact CB-O 3.41Å
269S70.9Confident77Confident115 Ų11588.1 Ų88.180%0.80446%0.462SS*.THydrogen-bonded Turntrans-60.7-19.5171.351.50000112.9A271S269-A271 VanDerWaalsContact C-N 3.34Å
270L68.8Low75.4Confident90 Ų9091 Ų9147%0.47148%0.475SS..THydrogen-bonded Turntrans-917.3178.2-58.3175.8000113.3S268 S272 A273 L276 F280S268-L270 PolarHBondContact O-N 3.45Å; S268-L270 VanDerWaalsContact O-N 3.14Å; S268-L270 PolarHBondContact OG-N 3.43Å; L270-S272 PolarHBondContact O-N 3.29Å; L270-A273 PolarHBondContact O-N 2.8Å; L270-L276 HydrophobicContact CB-CD1 3.62Å; L270-L276 HydrophobicContact CD1-CD1 4.26Å; L270-L276 HydrophobicContact CG-CD1 4.47Å; L270-F280 HydrophobicContact CB-CD1 4.01Å; L270-F280 HydrophobicContact CD1-CD1 4.29Å; L270-F280 HydrophobicContact CD1-CE1 3.99Å
271A67.8Low74.7Confident24 Ų2489.4 Ų89.420%0.19847%0.474CS..THydrogen-bonded Turntrans-65.2-19.1-174.500000115.3Q267 S268 S269 A273 F280Q267-A271 VanDerWaalsContact CD-CB 3.48Å; Q267-A271 HydrophobicContact CG-CB 3.61Å; S268-A271 WeakPolarHBondContact O-CB 3.43Å; S268-A271 PolarHBondContact O-N 3.02Å; S269-A271 VanDerWaalsContact C-N 3.34Å; A271-A273 VanDerWaalsContact C-N 3.35Å; A271-F280 VanDerWaalsContact CB-O 3.31Å; A271-F280 WeakPolarHBondContact CB-O 3.3Å
272S65.3Low74.4Confident116 Ų11686.5 Ų86.581%0.81146%0.459SS*.THydrogen-bonded Turntrans-82.3-10.617854.90000113.7L270 S274L270-S272 PolarHBondContact O-N 3.29Å; S272-S274 PolarHBondContact O-N 2.88Å
273A68.6Low74.8Confident22 Ų2287.2 Ų87.218%0.18246%0.459CS..  trans-79.4107.6178.400000110.7L270 A271 F275 L276L270-A273 PolarHBondContact O-N 2.8Å; A271-A273 VanDerWaalsContact C-N 3.35Å; A273-F275 HydrophobicContact CB-CD1 4.26Å; A273-F275 HydrophobicContact CB-CE1 3.76Å; A273-F275 HydrophobicContact CB-CE2 4.09Å; A273-F275 HydrophobicContact CB-CZ 3.67Å; A273-F275 PolarHBondContact O-N 3.28Å; A273-F275 VanDerWaalsContact O-N 3.15Å; A273-L276 HydrophobicContact CB-CB 4.49Å; A273-L276 HydrophobicContact CB-CD1 3.73Å; A273-L276 HydrophobicContact CB-CG 3.86Å; A273-L276 PolarHBondContact O-N 3.14Å
274S65.6Low75.1Confident123 Ų12380.7 Ų80.786%0.8643%0.429SS*.THydrogen-bonded Turntrans-65.2-14.5-177.951.80000114.9S272S272-S274 PolarHBondContact O-N 2.88Å
275F69.9Low75.3Confident171 Ų17176.3 Ų76.375%0.7541%0.414SS*.THydrogen-bonded Turntrans-93-2.1179.354.9-95000113.9A273A273-F275 HydrophobicContact CB-CD1 4.26Å; A273-F275 HydrophobicContact CB-CE1 3.76Å; A273-F275 HydrophobicContact CB-CE2 4.09Å; A273-F275 HydrophobicContact CB-CZ 3.67Å; A273-F275 PolarHBondContact O-N 3.28Å; A273-F275 VanDerWaalsContact O-N 3.15Å
276L64.4Low75.5Confident53 Ų5376.2 Ų76.228%0.27741%0.413SS..SBendtrans-92.2153.4179.5-68.8-178.6000112.4L270 A273 F280L270-L276 HydrophobicContact CB-CD1 3.62Å; L270-L276 HydrophobicContact CD1-CD1 4.26Å; L270-L276 HydrophobicContact CG-CD1 4.47Å; A273-L276 HydrophobicContact CB-CB 4.49Å; A273-L276 HydrophobicContact CB-CD1 3.73Å; A273-L276 HydrophobicContact CB-CG 3.86Å; A273-L276 PolarHBondContact O-N 3.14Å; L276-F280 HydrophobicContact CB-CB 4.23Å; L276-F280 HydrophobicContact CB-CD2 3.87Å; L276-F280 HydrophobicContact CB-CG 4.15Å; L276-F280 HydrophobicContact CD1-CB 4.46Å; L276-F280 HydrophobicContact CD1-CD1 4.23Å; L276-F280 HydrophobicContact CD1-CD2 4.33Å; L276-F280 HydrophobicContact CD1-CG 4.09Å
277P65.3Low75.9Confident84 Ų8470.5 Ų70.555%0.54539%0.388SS..  trans-51.7143174.9-26.933.4000112.9Y279 F280P277-Y279 PolarHBondContact O-N 3.01Å; P277-F280 HydrophobicContact CB-CD2 4.28Å; P277-F280 HydrophobicContact CG-CD2 4.36Å; P277-F280 HydrophobicContact CG-CE2 4.28Å; P277-F280 WeakPolarHBondContact O-CD2 3.41Å; P277-F280 PolarHBondContact O-N 3.16Å
278K67.9Low76.4Confident187 Ų18771.5 Ų71.581%0.81339%0.391SS*.THydrogen-bonded Turntrans-51.7-18.5179.1-69.7-173.9177.6-179.10114.8F280 S281 S282K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 3.35Å; K278-S281 PolarHBondContact O-N 3.18Å; K278-S281 PolarHBondContact O-OG 2.87Å; K278-S282 PolarHBondContact O-OG 2.8Å
279Y62.2Low77.3Confident92 Ų9270 Ų7036%0.36138%0.379SS..THydrogen-bonded Turntrans-61.3-34.5172.1173.2-90.3000112.9S228 P277 S281 S282 W284S228-Y279 WeakPolarHBondContact OG-CE2 3.18Å; S228-Y279 PolarHBondContact OG-OH 2.88Å; P277-Y279 PolarHBondContact O-N 3.01Å; Y279-S281 VanDerWaalsContact C-N 3.28Å; Y279-S281 PolarHBondContact O-N 2.77Å; Y279-S282 WeakPolarHBondContact CA-OG 3.29Å; Y279-S282 WeakPolarHBondContact O-CB 3.41Å; Y279-S282 PolarHBondContact O-N 3.32Å; Y279-S282 VanDerWaalsContact O-N 3.08Å; Y279-S282 PolarHBondContact O-OG 2.97Å; Y279-S282 VanDerWaalsContact O-OG 3.05Å; Y279-W284 HydrophobicContact CD2-CZ2 4.46Å; Y279-W284 HydrophobicContact CE1-CZ2 4.32Å; Y279-W284 AromaticContact CE2-CH2 3.88Å; Y279-W284 HydrophobicContact CE2-CH2 3.88Å; Y279-W284 AromaticContact CE2-CZ2 3.45Å; Y279-W284 HydrophobicContact CE2-CZ2 3.45Å; Y279-W284 VanDerWaalsContact CE2-CZ2 3.45Å; Y279-W284 AromaticContact CZ-CH2 3.91Å; Y279-W284 AromaticContact CZ-CZ2 3.37Å; Y279-W284 VanDerWaalsContact OH-CH2 3.29Å; Y279-W284 WeakPolarHBondContact OH-CH2 3.26Å; Y279-W284 WeakPolarHBondContact OH-CZ2 3.09Å
280F61.2Low78.4Confident62 Ų6270.6 Ų70.627%0.27237%0.369SS..THydrogen-bonded Turntrans-67.4-28.3179.3-75.2-86.7000112.8S268 L270 A271 L276 P277 K278 S282S268-F280 WeakPolarHBondContact CB-O 3.41Å; L270-F280 HydrophobicContact CB-CD1 4.01Å; L270-F280 HydrophobicContact CD1-CD1 4.29Å; L270-F280 HydrophobicContact CD1-CE1 3.99Å; A271-F280 VanDerWaalsContact CB-O 3.31Å; A271-F280 WeakPolarHBondContact CB-O 3.3Å; L276-F280 HydrophobicContact CB-CB 4.23Å; L276-F280 HydrophobicContact CB-CD2 3.87Å; L276-F280 HydrophobicContact CB-CG 4.15Å; L276-F280 HydrophobicContact CD1-CB 4.46Å; L276-F280 HydrophobicContact CD1-CD1 4.23Å; L276-F280 HydrophobicContact CD1-CD2 4.33Å; L276-F280 HydrophobicContact CD1-CG 4.09Å; P277-F280 HydrophobicContact CB-CD2 4.28Å; P277-F280 HydrophobicContact CG-CD2 4.36Å; P277-F280 HydrophobicContact CG-CE2 4.28Å; P277-F280 WeakPolarHBondContact O-CD2 3.41Å; P277-F280 PolarHBondContact O-N 3.16Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 3.35Å; F280-S282 VanDerWaalsContact C-N 3.29Å; F280-S282 PolarHBondContact O-N 2.83Å
281S75.8Confident79.6Confident58 Ų5866.3 Ų66.341%0.40635%0.347SS..THydrogen-bonded Turntrans-84.92.2174620000113.8Q267 K278 Y279Q267-S281 PolarHBondContact NE2-O 2.9Å; Q267-S281 VanDerWaalsContact NE2-O 3.13Å; K278-S281 PolarHBondContact O-N 3.18Å; K278-S281 PolarHBondContact O-OG 2.87Å; Y279-S281 VanDerWaalsContact C-N 3.28Å; Y279-S281 PolarHBondContact O-N 2.77Å
282S83.3Confident80.7Confident10 Ų1069.1 Ų69.17%0.0736%0.363CS..  trans-69.8144.2-177.5-64.50000112.9R225 K278 Y279 F280 W284R225-S282 PolarHBondContact NE-OG 2.94Å; R225-S282 PolarHBondContact NH2-OG 3.4Å; R225-S282 VanDerWaalsContact NH2-OG 3.1Å; K278-S282 PolarHBondContact O-OG 2.8Å; Y279-S282 WeakPolarHBondContact CA-OG 3.29Å; Y279-S282 WeakPolarHBondContact O-CB 3.41Å; Y279-S282 PolarHBondContact O-N 3.32Å; Y279-S282 VanDerWaalsContact O-N 3.08Å; Y279-S282 PolarHBondContact O-OG 2.97Å; Y279-S282 VanDerWaalsContact O-OG 3.05Å; F280-S282 VanDerWaalsContact C-N 3.29Å; F280-S282 PolarHBondContact O-N 2.83Å; S282-W284 VanDerWaalsContact O-CD1 3.24Å
283K90.8Very high81.8Confident52 Ų5266.1 Ų66.123%0.22634%0.342CS..EExtended strand (participates in β ladder)trans-97.2122.1179.3-62.2173.5-172.8175.30110.2L224 R225 P262 N265L224-K283 HydrophobicContact CD2-CB 4.24Å; R225-K283 PolarHBondContact N-O 3.34Å; P262-K283 HydrophobicContact CB-CD 3.54Å; P262-K283 VanDerWaalsContact CB-CE 3.46Å; N265-K283 HydrophobicContact CB-CB 4.09Å
284W93.6Very high82.9Confident56 Ų5666.6 Ų66.621%0.21235%0.349CS..EExtended strand (participates in β ladder)trans-107158-176.2-62.178.2000111.5R225 N265 K266 Y279 S282 F286R225-W284 HydrophobicContact CB-CD2 4.26Å; R225-W284 VanDerWaalsContact CD-CE2 3.47Å; R225-W284 VanDerWaalsContact CD-CH2 3.49Å; R225-W284 HydrophobicContact CG-CD2 4.12Å; R225-W284 HydrophobicContact CG-CE3 4.12Å; R225-W284 HydrophobicContact CG-CH2 3.88Å; R225-W284 HydrophobicContact CG-CZ2 3.85Å; R225-W284 HydrophobicContact CG-CZ3 4.03Å; N265-W284 CarbonylContact C-O 3.59Å; N265-W284 WeakPolarHBondContact CA-O 3.28Å; N265-W284 WeakPolarHBondContact CB-O 3.32Å; K266-W284 HydrophobicContact CB-CB 4.04Å; K266-W284 PolarHBondContact N-O 2.85Å; K266-W284 WeakPolarHBondContact O-CB 3.49Å; K266-W284 PolarHBondContact O-N 3.43Å; Y279-W284 HydrophobicContact CD2-CZ2 4.46Å; Y279-W284 HydrophobicContact CE1-CZ2 4.32Å; Y279-W284 AromaticContact CE2-CH2 3.88Å; Y279-W284 HydrophobicContact CE2-CH2 3.88Å; Y279-W284 AromaticContact CE2-CZ2 3.45Å; Y279-W284 HydrophobicContact CE2-CZ2 3.45Å; Y279-W284 VanDerWaalsContact CE2-CZ2 3.45Å; Y279-W284 AromaticContact CZ-CH2 3.91Å; Y279-W284 AromaticContact CZ-CZ2 3.37Å; Y279-W284 VanDerWaalsContact OH-CH2 3.29Å; Y279-W284 WeakPolarHBondContact OH-CH2 3.26Å; Y279-W284 WeakPolarHBondContact OH-CZ2 3.09Å; S282-W284 VanDerWaalsContact O-CD1 3.24Å; W284-F286 PolarHBondContact O-N 3.16Å
285S95.3Very high84.2Confident9 Ų961.2 Ų61.26%0.06331%0.311CS..  trans-54.1129.5175.8590000110.7H255 I256 F257 S287H255-S285 PolarHBondContact ND1-OG 3.01Å; I256-S285 CarbonylContact O-C 3.46Å; I256-S285 VanDerWaalsContact O-CA 3.3Å; I256-S285 WeakPolarHBondContact O-CA 3.44Å; I256-S285 VanDerWaalsContact O-CB 3.25Å; I256-S285 WeakPolarHBondContact O-CB 3.31Å; F257-S285 VanDerWaalsContact CD1-CA 3.43Å; F257-S285 VanDerWaalsContact CD1-N 3.35Å; S285-S287 VanDerWaalsContact C-N 3.26Å; S285-S287 WeakPolarHBondContact CB-O 3.41Å
286F96.1Very high85.3Confident8 Ų854.7 Ų54.74%0.03529%0.286CS..SBendtrans-71.4-29.8176.367.9-95.9000111.4L244 I256 A258 R264 K266 W284 F322 G326L244-F286 HydrophobicContact CD2-CE1 3.83Å; L244-F286 HydrophobicContact CD2-CZ 4.04Å; I256-F286 HydrophobicContact CB-CE1 4.45Å; I256-F286 HydrophobicContact CB-CZ 4.2Å; I256-F286 HydrophobicContact CG2-CE1 3.88Å; I256-F286 HydrophobicContact CG2-CE2 4.35Å; I256-F286 HydrophobicContact CG2-CZ 3.54Å; I256-F286 WeakPolarHBondContact O-CD1 3.25Å; I256-F286 PolarHBondContact O-N 3.06Å; I256-F286 VanDerWaalsContact O-N 3.15Å; A258-F286 HydrophobicContact CB-CD1 4.36Å; A258-F286 HydrophobicContact CB-CE1 4.35Å; R264-F286 WeakPolarHBondContact O-CB 3.46Å; K266-F286 VanDerWaalsContact CE-O 3.29Å; K266-F286 WeakPolarHBondContact CE-O 3.3Å; K266-F286 PolarHBondContact NZ-O 3.2Å; W284-F286 PolarHBondContact O-N 3.16Å; F286-F322 AromaticContact CE2-CD2 3.9Å; F286-F322 HydrophobicContact CE2-CD2 3.9Å; F286-F322 HydrophobicContact CE2-CE2 4.12Å; F286-F322 HydrophobicContact CZ-CD2 4.23Å; F286-F322 HydrophobicContact CZ-CE2 4Å; F286-G326 VanDerWaalsContact O-CA 3.3Å; F286-G326 WeakPolarHBondContact O-CA 3.47Å
287S96.9Very high86.9Confident1 Ų152.2 Ų52.21%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-134.1151.6178.5-168.20000111.3I256 S285 G326 C328I256-S287 PolarHBondContact N-O 3.1Å; I256-S287 PolarHBondContact O-N 3.37Å; S285-S287 VanDerWaalsContact C-N 3.26Å; S285-S287 WeakPolarHBondContact CB-O 3.41Å; S287-G326 WeakPolarHBondContact CB-O 3.26Å; S287-G326 PolarHBondContact OG-O 2.87Å; S287-C328 PolarHBondContact OG-SG 2.81Å
288K96.6Very high88.5Confident125 Ų12548.4 Ų48.454%0.54325%0.249SC..EExtended strand (participates in β ladder)trans-156.1152.517268.3178.6-175.6174.90110V254V254-K288 CarbonylContact O-C 3.56Å; V254-K288 WeakPolarHBondContact O-CA 3.33Å; V254-K288 WeakPolarHBondContact O-CB 3.29Å
289F96.6Very high89.9Confident12 Ų1239.5 Ų39.55%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-134.7160.2168.659.7-90.7000110.4T253 V254 I256 V291 V308 A310 F320 C328T253-F289 CarbonylContact C-O 3.53Å; T253-F289 VanDerWaalsContact CA-O 3.31Å; T253-F289 WeakPolarHBondContact CA-O 3.21Å; V254-F289 HydrophobicContact CB-CD1 4.29Å; V254-F289 HydrophobicContact CB-CD2 4.25Å; V254-F289 HydrophobicContact CB-CE1 3.76Å; V254-F289 HydrophobicContact CB-CE2 3.72Å; V254-F289 HydrophobicContact CB-CZ 3.46Å; V254-F289 VanDerWaalsContact CB-CZ 3.46Å; V254-F289 HydrophobicContact CG1-CE1 3.9Å; V254-F289 HydrophobicContact CG1-CE2 4.48Å; V254-F289 HydrophobicContact CG1-CZ 3.75Å; V254-F289 HydrophobicContact CG2-CD2 4.41Å; V254-F289 HydrophobicContact CG2-CE2 3.65Å; V254-F289 HydrophobicContact CG2-CZ 3.73Å; V254-F289 PolarHBondContact N-O 3.34Å; V254-F289 PolarHBondContact O-N 2.9Å; I256-F289 HydrophobicContact CD1-CE1 4.49Å; F289-V291 HydrophobicContact CE2-CG1 4.4Å; F289-V308 HydrophobicContact CE1-CB 3.92Å; F289-V308 HydrophobicContact CE1-CG1 3.89Å; F289-V308 HydrophobicContact CZ-CB 4.2Å; F289-V308 HydrophobicContact CZ-CG1 3.83Å; F289-A310 HydrophobicContact CE2-CB 4.25Å; F289-F320 HydrophobicContact CB-CD1 3.96Å; F289-F320 HydrophobicContact CB-CE1 4.07Å; F289-F320 HydrophobicContact CB-CG 4.36Å; F289-F320 HydrophobicContact CD1-CB 3.94Å; F289-F320 HydrophobicContact CD1-CD1 4.45Å; F289-F320 HydrophobicContact CD1-CG 4.09Å; F289-F320 HydrophobicContact CD2-CB 4.38Å; F289-F320 HydrophobicContact CD2-CD1 4.08Å; F289-F320 AromaticContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CD2 3.49Å; F289-F320 VanDerWaalsContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CE1 4.19Å; F289-F320 AromaticContact CD2-CE2 3.61Å; F289-F320 HydrophobicContact CD2-CE2 3.61Å; F289-F320 AromaticContact CD2-CG 3.73Å; F289-F320 HydrophobicContact CD2-CG 3.73Å; F289-F320 AromaticContact CD2-CZ 3.97Å; F289-F320 HydrophobicContact CD2-CZ 3.97Å; F289-F320 HydrophobicContact CE1-CB 3.89Å; F289-F320 HydrophobicContact CE1-CD2 4.5Å; F289-F320 HydrophobicContact CE1-CG 4.28Å; F289-F320 HydrophobicContact CE2-CB 4.33Å; F289-F320 AromaticContact CE2-CD2 3.43Å; F289-F320 HydrophobicContact CE2-CD2 3.43Å; F289-F320 VanDerWaalsContact CE2-CD2 3.43Å; F289-F320 AromaticContact CE2-CE2 3.81Å; F289-F320 HydrophobicContact CE2-CE2 3.81Å; F289-F320 AromaticContact CE2-CG 3.94Å; F289-F320 HydrophobicContact CE2-CG 3.94Å; F289-F320 HydrophobicContact CG-CB 4.18Å; F289-F320 AromaticContact CG-CD1 3.92Å; F289-F320 HydrophobicContact CG-CD1 3.92Å; F289-F320 HydrophobicContact CG-CD2 4.07Å; F289-F320 HydrophobicContact CG-CE1 4.28Å; F289-F320 HydrophobicContact CG-CE2 4.42Å; F289-F320 AromaticContact CG-CG 3.8Å; F289-F320 HydrophobicContact CG-CG 3.8Å; F289-F320 HydrophobicContact CZ-CB 4.08Å; F289-F320 AromaticContact CZ-CD2 3.96Å; F289-F320 HydrophobicContact CZ-CD2 3.96Å; F289-F320 HydrophobicContact CZ-CG 4.19Å; F289-C328 HydrophobicContact CB-CB 3.89Å
290Q95.4Very high91.6Very high128 Ų12835.1 Ų35.160%0.59819%0.193SC*.EExtended strand (participates in β ladder)trans-105.5132.9175.2-169.5173.8-4.700108.7G252 T253G252-Q290 CarbonylContact O-C 3.57Å; G252-Q290 VanDerWaalsContact O-CA 3.31Å; G252-Q290 WeakPolarHBondContact O-CA 3.37Å; G252-Q290 VanDerWaalsContact O-CG 3.25Å; G252-Q290 WeakPolarHBondContact O-CG 2.98Å; T253-Q290 HydrophobicContact CG2-CB 4.21Å; T253-Q290 HydrophobicContact CG2-CG 4.23Å
291V93.1Very high93.4Very high0 Ų032.9 Ų32.90%018%0.183CC..  trans-72.4125.7169.2-73.50000108.2G252 F289 S293 G294 A310 Y318G252-V291 VanDerWaalsContact O-CG2 3.3Å; G252-V291 WeakPolarHBondContact O-CG2 3.46Å; G252-V291 PolarHBondContact O-N 3.28Å; F289-V291 HydrophobicContact CE2-CG1 4.4Å; V291-S293 VanDerWaalsContact C-N 3.25Å; V291-S293 PolarHBondContact O-N 3.5Å; V291-S293 VanDerWaalsContact O-N 3.15Å; V291-G294 PolarHBondContact O-N 3.27Å; V291-A310 HydrophobicContact CG1-CB 3.93Å; V291-Y318 HydrophobicContact CG1-CD2 4.26Å
292P91Very high94.5Very high83 Ų8331 Ų3154%0.53917%0.172SC..THydrogen-bonded Turntrans-55-35.5-172.8-30.435.8000115G294 Y318P292-G294 VanDerWaalsContact C-N 3.29Å; P292-G294 PolarHBondContact O-N 3.15Å; P292-Y318 HydrophobicContact CG-CE1 3.96Å
293S88.3Confident95.1Very high52 Ų5235.8 Ų35.836%0.36420%0.201SC..THydrogen-bonded Turntrans-76.2-14.5178.755.60000114.1V291 S295 D314V291-S293 VanDerWaalsContact C-N 3.25Å; V291-S293 PolarHBondContact O-N 3.5Å; V291-S293 VanDerWaalsContact O-N 3.15Å; S293-S295 PolarHBondContact O-N 3.29Å; S293-S295 VanDerWaalsContact O-N 3.09Å; S293-D314 WeakPolarHBondContact CB-OD2 3.32Å; S293-D314 PolarHBondContact OG-OD2 3.06Å
294G90.8Very high95.3Very high33 Ų3337 Ų3734%0.3421%0.208SC..  trans65.71.6-170.500000114.1V291 P292V291-G294 PolarHBondContact O-N 3.27Å; P292-G294 VanDerWaalsContact C-N 3.29Å; P292-G294 PolarHBondContact O-N 3.15Å
295S93.2Very high95.4Very high9 Ų939.2 Ų39.26%0.06323%0.229CC..  trans-65.8148.9-176.8-69.40000112.1H9 S293 C297 D314H9-S295 PolarHBondContact CE1-OG 2.86Å; H9-S295 VanDerWaalsContact CE1-OG 3.27Å; H9-S295 PolarHBondContact NE2-OG 2.88Å; H9-S295 VanDerWaalsContact NE2-OG 3.09Å; S293-S295 PolarHBondContact O-N 3.29Å; S293-S295 VanDerWaalsContact O-N 3.09Å; S295-C297 PolarHBondContact O-N 2.83Å; S295-D314 PolarHBondContact OG-OD2 2.8Å
296P94.6Very high95.5Very high35 Ų3541.8 Ų41.823%0.22724%0.242CC..  trans-51.2135.7170.5-27.836.6000111.3M1 Y234 C312 A313M1-P296 HydrophobicContact SD-CB 3.59Å; M1-P296 VanDerWaalsContact SD-CB 3.59Å; Y234-P296 HydrophobicContact CD2-CB 3.93Å; Y234-P296 HydrophobicContact CE1-CB 4.19Å; Y234-P296 HydrophobicContact CE2-CB 3.48Å; Y234-P296 VanDerWaalsContact CE2-CB 3.48Å; Y234-P296 HydrophobicContact CE2-CG 3.84Å; Y234-P296 HydrophobicContact CG-CB 4.44Å; P296-C312 CarbonylContact O-C 3.56Å; P296-C312 WeakPolarHBondContact O-CA 3.25Å; P296-A313 HydrophobicContact CB-CB 4.45Å; P296-A313 PolarHBondContact O-N 2.75Å
297C97.1Very high95.6Very high0 Ų041.4 Ų41.40%024%0.241CC..EExtended strand (participates in β ladder)trans-139.7149.1179.7620000112.7S248 S295 A310 I311 C312S248-C297 WeakPolarHBondContact CB-O 3.39Å; S248-C297 PolarHBondContact OG-O 3.22Å; S295-C297 PolarHBondContact O-N 2.83Å; C297-A310 HydrophobicContact CB-CB 4.39Å; C297-I311 CarbonylContact C-O 3.57Å; C297-I311 WeakPolarHBondContact CA-O 3.31Å; C297-I311 VanDerWaalsContact CB-O 3.29Å; C297-I311 WeakPolarHBondContact CB-O 3.3Å; C297-C312 HydrophobicContact CB-CB 4.38Å; C297-C312 VanDerWaalsContact CB-SG 3.6Å
298V98Very high95.7Very high5 Ų541.3 Ų41.33%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-87.7149.8158.5-64.10000109.2M1 F18 C235 A310 I311M1-V298 HydrophobicContact CB-CG1 3.48Å; M1-V298 VanDerWaalsContact CB-CG1 3.48Å; F18-V298 HydrophobicContact CD2-CB 4.38Å; F18-V298 HydrophobicContact CD2-CG2 4.15Å; F18-V298 HydrophobicContact CE2-CB 3.93Å; F18-V298 HydrophobicContact CE2-CG2 3.59Å; F18-V298 HydrophobicContact CZ-CG2 4.23Å; C235-V298 HydrophobicContact CB-CB 4.19Å; C235-V298 HydrophobicContact CB-CG1 4.29Å; V298-A310 WeakPolarHBondContact O-CA 3.39Å; V298-I311 HydrophobicContact CG2-CB 3.8Å; V298-I311 HydrophobicContact CG2-CD1 4.41Å; V298-I311 HydrophobicContact CG2-CG1 4.5Å; V298-I311 PolarHBondContact N-O 3.18Å; V298-I311 PolarHBondContact O-N 3.16Å
299C98.6Very high95.8Very high0 Ų035.4 Ų35.40%021%0.214CC..EExtended strand (participates in β ladder)trans-132.7146.7178.859.50000112C235 N237 C246 S248 V254 V308 I309C235-C299 PolarHBondContact SG-O 2.93Å; N237-C299 PolarHBondContact ND2-O 3.34Å; C246-C299 VanDerWaalsContact SG-SG 3.64Å; S248-C299 PolarHBondContact N-SG 3.3Å; V254-C299 HydrophobicContact CG1-CB 3.9Å; V254-C299 HydrophobicContact CG2-CB 4.35Å; C299-V308 HydrophobicContact CB-CG1 4.37Å; C299-I309 WeakPolarHBondContact CA-O 3.49Å
300A98.6Very high95.9Very high0 Ų034.8 Ų34.80%021%0.212CC..EExtended strand (participates in β ladder)trans-151.8164.3173.800000109.9F18 H22 V308 I309F18-A300 HydrophobicContact CD1-CB 4.2Å; F18-A300 HydrophobicContact CD2-CB 3.85Å; F18-A300 HydrophobicContact CE1-CB 3.94Å; F18-A300 HydrophobicContact CE2-CB 3.56Å; F18-A300 HydrophobicContact CG-CB 4.16Å; F18-A300 HydrophobicContact CZ-CB 3.61Å; H22-A300 HydrophobicContact CB-CB 3.64Å; A300-V308 CarbonylContact O-C 3.52Å; A300-V308 WeakPolarHBondContact O-CA 3.3Å; A300-I309 PolarHBondContact N-O 3.06Å; A300-I309 VanDerWaalsContact N-O 3.1Å; A300-I309 PolarHBondContact O-N 3.46Å
301F98.5Very high96Very high15 Ų1528.7 Ų28.77%0.06618%0.183CC..EExtended strand (participates in β ladder)trans-74.3143.2172.3-67.5-92.5000110.4N239 L244 C246 I256 A307 V308 F322N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.86Å; N239-F301 HydrophobicContact CB-CD2 3.41Å; N239-F301 VanDerWaalsContact CB-CD2 3.41Å; N239-F301 HydrophobicContact CB-CE1 4.12Å; N239-F301 HydrophobicContact CB-CE2 3.69Å; N239-F301 HydrophobicContact CB-CG 3.5Å; N239-F301 VanDerWaalsContact CB-CG 3.5Å; N239-F301 HydrophobicContact CB-CZ 4.04Å; N239-F301 VanDerWaalsContact N-CD2 3.31Å; N239-F301 VanDerWaalsContact N-CE2 3.33Å; L244-F301 HydrophobicContact CB-CE1 3.86Å; L244-F301 HydrophobicContact CB-CE2 4.3Å; L244-F301 HydrophobicContact CB-CZ 3.47Å; L244-F301 VanDerWaalsContact CB-CZ 3.47Å; L244-F301 HydrophobicContact CD1-CE1 3.84Å; L244-F301 HydrophobicContact CD1-CZ 4.33Å; C246-F301 HydrophobicContact CB-CE2 3.94Å; C246-F301 HydrophobicContact CB-CZ 4.06Å; I256-F301 HydrophobicContact CG2-CE1 4.25Å; I256-F301 HydrophobicContact CG2-CZ 4.26Å; F301-A307 WeakPolarHBondContact CA-O 3.29Å; F301-V308 HydrophobicContact CD1-CG2 3.92Å; F301-V308 HydrophobicContact CE1-CG2 3.91Å; F301-F322 HydrophobicContact CD1-CE1 4.33Å; F301-F322 HydrophobicContact CD1-CZ 4.5Å; F301-F322 HydrophobicContact CE1-CE1 4.14Å; F301-F322 HydrophobicContact CE1-CZ 4.09Å
302G97.5Very high96.2Very high18 Ų1828.7 Ų28.719%0.18618%0.183CC..  trans-77.7-170.6176.500000112.5E304 A307G302-E304 VanDerWaalsContact C-N 3.28Å; G302-E304 PolarHBondContact O-N 3.39Å; G302-A307 PolarHBondContact N-O 3.07Å
303T96.1Very high96.5Very high110 Ų11024.9 Ų24.968%0.67516%0.159SC*.SBendtrans-67.4-34.7176.5-64.40000111D39D39-T303 PolarHBondContact O-OG1 2.87Å; D39-T303 PolarHBondContact OD2-N 3.02Å
304E96.3Very high96.9Very high78 Ų7823.9 Ų23.936%0.36415%0.149SC..SBendtrans-81.5136.4171.1-69.9159.4-125.400110.9G302 N306 A307 K319G302-E304 VanDerWaalsContact C-N 3.28Å; G302-E304 PolarHBondContact O-N 3.39Å; E304-N306 PolarHBondContact O-N 3.19Å; E304-N306 VanDerWaalsContact O-N 3.1Å; E304-A307 HydrophobicContact CB-CB 4Å; E304-A307 WeakPolarHBondContact O-CB 3.41Å; E304-A307 PolarHBondContact O-N 2.9Å; E304-K319 IonicContact OE1-NZ 2.72Å; E304-K319 PolarHBondContact OE1-NZ 3.28Å
305P95.7Very high97.2Very high102 Ų10222.3 Ų22.366%0.66213%0.133SC*.THydrogen-bonded Turntrans-65.9-18.7-176.226.6-34.6000113.4F322P305-F322 WeakPolarHBondContact O-CZ 3.14Å
306N97.2Very high97.4Very high63 Ų6322 Ų2234%0.33713%0.131SC..THydrogen-bonded Turntrans-101.117.9176.769.4-53.3000113E304 L321 F322E304-N306 PolarHBondContact O-N 3.19Å; E304-N306 VanDerWaalsContact O-N 3.1Å; N306-L321 CarbonylContact O-C 3.45Å; N306-L321 VanDerWaalsContact O-CA 3.32Å; N306-L321 WeakPolarHBondContact O-CA 3.17Å; N306-F322 VanDerWaalsContact C-CD1 3.46Å; N306-F322 WeakPolarHBondContact CB-O 3.39Å; N306-F322 WeakPolarHBondContact O-CD1 3.36Å; N306-F322 WeakPolarHBondContact O-CE1 3.45Å; N306-F322 PolarHBondContact O-N 3.13Å
307A98.1Very high97.6Very high0 Ų020.4 Ų20.40%012%0.121CC..EExtended strand (participates in β ladder)trans-115141.6176.600000112F301 G302 E304 K319 F320 L321F301-A307 WeakPolarHBondContact CA-O 3.29Å; G302-A307 PolarHBondContact N-O 3.07Å; E304-A307 HydrophobicContact CB-CB 4Å; E304-A307 WeakPolarHBondContact O-CB 3.41Å; E304-A307 PolarHBondContact O-N 2.9Å; A307-K319 HydrophobicContact CB-CG 4.28Å; A307-F320 CarbonylContact C-O 3.35Å; A307-F320 WeakPolarHBondContact CA-O 3.42Å; A307-L321 HydrophobicContact CB-CD2 3.86Å
308V98.6Very high97.6Very high0 Ų020.9 Ų20.90%012%0.122CC..EExtended strand (participates in β ladder)trans-124.8133.2169177.40000109.1C246 V254 I256 F289 C299 A300 F301 F320 F322C246-V308 HydrophobicContact CB-CG1 4.16Å; V254-V308 HydrophobicContact CG1-CG1 4.09Å; I256-V308 HydrophobicContact CD1-CB 4.48Å; I256-V308 HydrophobicContact CD1-CG2 3.61Å; I256-V308 HydrophobicContact CG1-CG2 4.13Å; F289-V308 HydrophobicContact CE1-CB 3.92Å; F289-V308 HydrophobicContact CE1-CG1 3.89Å; F289-V308 HydrophobicContact CZ-CB 4.2Å; F289-V308 HydrophobicContact CZ-CG1 3.83Å; C299-V308 HydrophobicContact CB-CG1 4.37Å; A300-V308 CarbonylContact O-C 3.52Å; A300-V308 WeakPolarHBondContact O-CA 3.3Å; F301-V308 HydrophobicContact CD1-CG2 3.92Å; F301-V308 HydrophobicContact CE1-CG2 3.91Å; V308-F320 PolarHBondContact N-O 2.95Å; V308-F320 PolarHBondContact O-N 2.93Å; V308-F322 HydrophobicContact CG2-CD1 3.99Å; V308-F322 HydrophobicContact CG2-CE1 3.77Å
309I98.7Very high97.7Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-98.4137.6176.3-51.6-50.5000109.2T38 C299 A300 I311 Y317 Y318 K319T38-I309 HydrophobicContact CG2-CB 4.27Å; T38-I309 HydrophobicContact CG2-CG1 3.93Å; T38-I309 HydrophobicContact CG2-CG2 4.08Å; C299-I309 WeakPolarHBondContact CA-O 3.49Å; A300-I309 PolarHBondContact N-O 3.06Å; A300-I309 VanDerWaalsContact N-O 3.1Å; A300-I309 PolarHBondContact O-N 3.46Å; I309-I311 HydrophobicContact CG2-CG1 4.18Å; I309-Y317 WeakPolarHBondContact CD1-OH 3.15Å; I309-Y317 HydrophobicContact CG2-CD2 3.91Å; I309-Y317 HydrophobicContact CG2-CE2 3.3Å; I309-Y318 CarbonylContact C-O 3.26Å; I309-Y318 VanDerWaalsContact CA-O 3.28Å; I309-Y318 WeakPolarHBondContact CA-O 3.35Å; I309-K319 HydrophobicContact CD1-CB 3.55Å; I309-K319 HydrophobicContact CD1-CD 3.96Å; I309-K319 HydrophobicContact CD1-CG 3.51Å
310A98.3Very high97.7Very high0 Ų021.9 Ų21.90%013%0.126CC..EExtended strand (participates in β ladder)trans-123.6126.6169.400000110.1V254 F289 V291 C297 V298 Y318V254-A310 HydrophobicContact CG2-CB 4.47Å; F289-A310 HydrophobicContact CE2-CB 4.25Å; V291-A310 HydrophobicContact CG1-CB 3.93Å; C297-A310 HydrophobicContact CB-CB 4.39Å; V298-A310 WeakPolarHBondContact O-CA 3.39Å; A310-Y318 PolarHBondContact N-O 2.97Å; A310-Y318 PolarHBondContact O-N 3.46Å
311I98.3Very high97.6Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-114.4116177.6-56.4170.6000107.8A16 F18 F25 C297 V298 I309 Y317 F336A16-I311 HydrophobicContact CB-CG2 4.43Å; F18-I311 HydrophobicContact CD1-CD1 4.36Å; F18-I311 HydrophobicContact CE1-CD1 3.47Å; F18-I311 VanDerWaalsContact CE1-CD1 3.47Å; F18-I311 HydrophobicContact CE1-CG1 4.44Å; F18-I311 HydrophobicContact CE2-CD1 4.31Å; F18-I311 HydrophobicContact CZ-CD1 3.44Å; F18-I311 VanDerWaalsContact CZ-CD1 3.44Å; F18-I311 HydrophobicContact CZ-CG1 4.04Å; F25-I311 HydrophobicContact CB-CD1 3.73Å; F25-I311 HydrophobicContact CD1-CD1 3.36Å; F25-I311 HydrophobicContact CD2-CD1 3.64Å; F25-I311 HydrophobicContact CD2-CG2 4.43Å; F25-I311 HydrophobicContact CE1-CD1 3.72Å; F25-I311 HydrophobicContact CE2-CD1 3.97Å; F25-I311 HydrophobicContact CE2-CG2 4.22Å; F25-I311 HydrophobicContact CG-CD1 3.3Å; F25-I311 HydrophobicContact CZ-CD1 4.01Å; C297-I311 CarbonylContact C-O 3.57Å; C297-I311 WeakPolarHBondContact CA-O 3.31Å; C297-I311 VanDerWaalsContact CB-O 3.29Å; C297-I311 WeakPolarHBondContact CB-O 3.3Å; V298-I311 HydrophobicContact CG2-CB 3.8Å; V298-I311 HydrophobicContact CG2-CD1 4.41Å; V298-I311 HydrophobicContact CG2-CG1 4.5Å; V298-I311 PolarHBondContact N-O 3.18Å; V298-I311 PolarHBondContact O-N 3.16Å; I309-I311 HydrophobicContact CG2-CG1 4.18Å; I311-Y317 HydrophobicContact CG1-CD2 4.21Å; I311-F336 HydrophobicContact CG2-CD1 4.33Å; I311-F336 HydrophobicContact CG2-CE1 3.61Å; I311-F336 HydrophobicContact CG2-CZ 3.88Å
312C97.6Very high97.6Very high0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-100.1154.3-169.1-64.40000112.8P296 C297 D314 G315 S316P296-C312 CarbonylContact O-C 3.56Å; P296-C312 WeakPolarHBondContact O-CA 3.25Å; C297-C312 HydrophobicContact CB-CB 4.38Å; C297-C312 VanDerWaalsContact CB-SG 3.6Å; C312-D314 WeakPolarHBondContact CB-OD1 3.31Å; C312-D314 PolarHBondContact O-N 2.84Å; C312-G315 PolarHBondContact O-N 2.82Å; C312-S316 PolarHBondContact N-O 3.33Å
313A96.7Very high97.5Very high2 Ų225.6 Ų25.62%0.01714%0.142CC..THydrogen-bonded Turntrans-62.7-25176.800000113.1M1 L3 N7 N11 P296 G315M1-A313 HydrophobicContact CE-CB 3.7Å; M1-A313 HydrophobicContact SD-CB 4.35Å; L3-A313 HydrophobicContact CD1-CB 3.89Å; L3-A313 HydrophobicContact CD2-CB 3.78Å; L3-A313 HydrophobicContact CG-CB 4.5Å; N7-A313 PolarHBondContact ND2-O 3.31Å; N11-A313 PolarHBondContact ND2-O 2.9Å; P296-A313 HydrophobicContact CB-CB 4.45Å; P296-A313 PolarHBondContact O-N 2.75Å; A313-G315 PolarHBondContact O-N 2.8Å
314D96.7Very high97.1Very high31 Ų3129.2 Ų29.217%0.16615%0.151CC..THydrogen-bonded Turntrans-76-6.2178.762.75.3000113.8N11 S293 S295 C312 S316N11-D314 PolarHBondContact ND2-O 2.81Å; S293-D314 WeakPolarHBondContact CB-OD2 3.32Å; S293-D314 PolarHBondContact OG-OD2 3.06Å; S295-D314 PolarHBondContact OG-OD2 2.8Å; C312-D314 WeakPolarHBondContact CB-OD1 3.31Å; C312-D314 PolarHBondContact O-N 2.84Å; D314-S316 WeakPolarHBondContact OD1-CB 3.3Å; D314-S316 PolarHBondContact OD1-N 2.84Å; D314-S316 PolarHBondContact OD1-OG 3.35Å; D314-S316 PolarHBondContact OD2-OG 3.49Å
315G97.3Very high96.7Very high0 Ų033.5 Ų33.50%017%0.169CC..SBendtrans961.7-175.500000113.7N11 C312 A313 Q335 F336N11-G315 PolarHBondContact ND2-N 2.76Å; C312-G315 PolarHBondContact O-N 2.82Å; A313-G315 PolarHBondContact O-N 2.8Å; G315-Q335 CarbonylContact O-C 3.5Å; G315-Q335 WeakPolarHBondContact O-CA 3.12Å; G315-Q335 PolarHBondContact O-OE1 2.97Å; G315-F336 WeakPolarHBondContact O-CD1 3.5Å; G315-F336 WeakPolarHBondContact O-CE1 3.37Å; G315-F336 PolarHBondContact O-N 3.45Å
316S97.6Very high96.3Very high3 Ų329.2 Ų29.22%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-80.9140.1176.5-49.70000112.1C312 D314 Q335C312-S316 PolarHBondContact N-O 3.33Å; D314-S316 WeakPolarHBondContact OD1-CB 3.3Å; D314-S316 PolarHBondContact OD1-N 2.84Å; D314-S316 PolarHBondContact OD1-OG 3.35Å; D314-S316 PolarHBondContact OD2-OG 3.49Å; S316-Q335 PolarHBondContact OG-NE2 3Å
317Y98.3Very high96.1Very high2 Ų232 Ų321%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-113.8137.2167.3171.6-78.8000109F25 T38 L41 I309 I311 K319 V332 Y333 A334F25-Y317 HydrophobicContact CE1-CD2 4.41Å; T38-Y317 VanDerWaalsContact O-CE2 3.27Å; T38-Y317 WeakPolarHBondContact O-CE2 3.36Å; T38-Y317 VanDerWaalsContact O-CZ 3.3Å; T38-Y317 PolarHBondContact O-OH 3.31Å; L41-Y317 HydrophobicContact CB-CE1 4.31Å; L41-Y317 HydrophobicContact CB-CE2 4.2Å; L41-Y317 HydrophobicContact CD1-CD2 3.87Å; L41-Y317 HydrophobicContact CD1-CE2 3.99Å; L41-Y317 HydrophobicContact CD1-CG 4.42Å; L41-Y317 HydrophobicContact CD2-CD1 3.92Å; L41-Y317 HydrophobicContact CD2-CD2 4.04Å; L41-Y317 HydrophobicContact CD2-CE1 4.4Å; L41-Y317 HydrophobicContact CD2-CE2 4.45Å; L41-Y317 HydrophobicContact CD2-CG 3.74Å; L41-Y317 HydrophobicContact CG-CD2 4.39Å; L41-Y317 HydrophobicContact CG-CE2 4.44Å; I309-Y317 WeakPolarHBondContact CD1-OH 3.15Å; I309-Y317 HydrophobicContact CG2-CD2 3.91Å; I309-Y317 HydrophobicContact CG2-CE2 3.3Å; I311-Y317 HydrophobicContact CG1-CD2 4.21Å; Y317-K319 HydrophobicContact CE1-CB 4.19Å; Y317-V332 HydrophobicContact CD1-CG1 4.4Å; Y317-V332 HydrophobicContact CE1-CB 4.3Å; Y317-V332 HydrophobicContact CE1-CG1 4.1Å; Y317-Y333 WeakPolarHBondContact O-CA 3.31Å; Y317-A334 PolarHBondContact N-O 3.38Å; Y317-A334 PolarHBondContact O-N 2.95Å
318Y98.2Very high96Very high9 Ų933.9 Ų33.94%0.03517%0.166CC..EExtended strand (participates in β ladder)trans-132.7135.4173.9-57.2-87.9000111.2V291 P292 I309 A310 F320 V332 Y333V291-Y318 HydrophobicContact CG1-CD2 4.26Å; P292-Y318 HydrophobicContact CG-CE1 3.96Å; I309-Y318 CarbonylContact C-O 3.26Å; I309-Y318 VanDerWaalsContact CA-O 3.28Å; I309-Y318 WeakPolarHBondContact CA-O 3.35Å; A310-Y318 PolarHBondContact N-O 2.97Å; A310-Y318 PolarHBondContact O-N 3.46Å; Y318-F320 HydrophobicContact CD1-CE2 4.15Å; Y318-F320 HydrophobicContact CG-CE2 4.08Å; Y318-V332 WeakPolarHBondContact CA-O 3.29Å; Y318-Y333 AromaticContact CD1-CD2 3.78Å; Y318-Y333 HydrophobicContact CD1-CD2 3.78Å; Y318-Y333 AromaticContact CE1-CD2 3.29Å; Y318-Y333 HydrophobicContact CE1-CD2 3.29Å; Y318-Y333 AromaticContact CE1-CE2 3.81Å; Y318-Y333 HydrophobicContact CE1-CE2 3.81Å; Y318-Y333 HydrophobicContact CE1-CG 4.26Å; Y318-Y333 AromaticContact CZ-CD2 3.79Å; Y318-Y333 AromaticContact CZ-CE2 3.86Å
319K98.3Very high96Very high8 Ų837.1 Ų37.14%0.03519%0.189CC..EExtended strand (participates in β ladder)trans-108.1123.7161.8-179.9171.5172179.30108.3D39 E304 A307 I309 Y317 D331 V332D39-K319 IonicContact OD1-NZ 2.69Å; D39-K319 PolarHBondContact OD1-NZ 3.3Å; D39-K319 IonicContact OD2-NZ 3.71Å; D39-K319 PolarHBondContact OD2-NZ 3.17Å; E304-K319 IonicContact OE1-NZ 2.72Å; E304-K319 PolarHBondContact OE1-NZ 3.28Å; A307-K319 HydrophobicContact CB-CG 4.28Å; I309-K319 HydrophobicContact CD1-CB 3.55Å; I309-K319 HydrophobicContact CD1-CD 3.96Å; I309-K319 HydrophobicContact CD1-CG 3.51Å; Y317-K319 HydrophobicContact CE1-CB 4.19Å; K319-D331 WeakPolarHBondContact CD-OD2 3.49Å; K319-D331 VanDerWaalsContact CE-OD2 3.3Å; K319-D331 WeakPolarHBondContact CE-OD2 3.09Å; K319-D331 HydrophobicContact CG-CB 4.23Å; K319-D331 IonicContact NZ-OD2 3.23Å; K319-D331 PolarHBondContact O-N 3.46Å; K319-V332 HydrophobicContact CB-CB 3.76Å; K319-V332 HydrophobicContact CB-CG2 4.07Å; K319-V332 HydrophobicContact CD-CG2 4.12Å; K319-V332 PolarHBondContact N-O 3.19Å; K319-V332 PolarHBondContact O-N 3.17Å
320F98.3Very high95.9Very high18 Ų1843.6 Ų43.68%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-115.1131.5173.8-81.1-96.6000109.9F289 A307 V308 Y318 C328 S329 R330F289-F320 HydrophobicContact CB-CD1 3.96Å; F289-F320 HydrophobicContact CB-CE1 4.07Å; F289-F320 HydrophobicContact CB-CG 4.36Å; F289-F320 HydrophobicContact CD1-CB 3.94Å; F289-F320 HydrophobicContact CD1-CD1 4.45Å; F289-F320 HydrophobicContact CD1-CG 4.09Å; F289-F320 HydrophobicContact CD2-CB 4.38Å; F289-F320 HydrophobicContact CD2-CD1 4.08Å; F289-F320 AromaticContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CD2 3.49Å; F289-F320 VanDerWaalsContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CE1 4.19Å; F289-F320 AromaticContact CD2-CE2 3.61Å; F289-F320 HydrophobicContact CD2-CE2 3.61Å; F289-F320 AromaticContact CD2-CG 3.73Å; F289-F320 HydrophobicContact CD2-CG 3.73Å; F289-F320 AromaticContact CD2-CZ 3.97Å; F289-F320 HydrophobicContact CD2-CZ 3.97Å; F289-F320 HydrophobicContact CE1-CB 3.89Å; F289-F320 HydrophobicContact CE1-CD2 4.5Å; F289-F320 HydrophobicContact CE1-CG 4.28Å; F289-F320 HydrophobicContact CE2-CB 4.33Å; F289-F320 AromaticContact CE2-CD2 3.43Å; F289-F320 HydrophobicContact CE2-CD2 3.43Å; F289-F320 VanDerWaalsContact CE2-CD2 3.43Å; F289-F320 AromaticContact CE2-CE2 3.81Å; F289-F320 HydrophobicContact CE2-CE2 3.81Å; F289-F320 AromaticContact CE2-CG 3.94Å; F289-F320 HydrophobicContact CE2-CG 3.94Å; F289-F320 HydrophobicContact CG-CB 4.18Å; F289-F320 AromaticContact CG-CD1 3.92Å; F289-F320 HydrophobicContact CG-CD1 3.92Å; F289-F320 HydrophobicContact CG-CD2 4.07Å; F289-F320 HydrophobicContact CG-CE1 4.28Å; F289-F320 HydrophobicContact CG-CE2 4.42Å; F289-F320 AromaticContact CG-CG 3.8Å; F289-F320 HydrophobicContact CG-CG 3.8Å; F289-F320 HydrophobicContact CZ-CB 4.08Å; F289-F320 AromaticContact CZ-CD2 3.96Å; F289-F320 HydrophobicContact CZ-CD2 3.96Å; F289-F320 HydrophobicContact CZ-CG 4.19Å; A307-F320 CarbonylContact C-O 3.35Å; A307-F320 WeakPolarHBondContact CA-O 3.42Å; V308-F320 PolarHBondContact N-O 2.95Å; V308-F320 PolarHBondContact O-N 2.93Å; Y318-F320 HydrophobicContact CD1-CE2 4.15Å; Y318-F320 HydrophobicContact CG-CE2 4.08Å; F320-C328 HydrophobicContact CD1-CB 4.36Å; F320-S329 CarbonylContact C-O 3.12Å; F320-S329 WeakPolarHBondContact CA-O 3.5Å; F320-R330 HydrophobicContact CD1-CB 4.02Å; F320-R330 HydrophobicContact CE1-CB 3.63Å; F320-R330 HydrophobicContact CE1-CG 4.28Å; F320-R330 HydrophobicContact CE2-CB 4.46Å; F320-R330 HydrophobicContact CE2-CG 4.23Å; F320-R330 HydrophobicContact CZ-CB 3.88Å; F320-R330 HydrophobicContact CZ-CG 4.06Å
321L98.3Very high95.9Very high37 Ų3747.6 Ų47.619%0.19424%0.235CC..EExtended strand (participates in β ladder)trans-87.5143.6168-59.5174.5000109N306 A307 C328 S329 D331N306-L321 CarbonylContact O-C 3.45Å; N306-L321 VanDerWaalsContact O-CA 3.32Å; N306-L321 WeakPolarHBondContact O-CA 3.17Å; A307-L321 HydrophobicContact CB-CD2 3.86Å; L321-C328 CarbonylContact O-C 3.49Å; L321-C328 WeakPolarHBondContact O-CA 3.45Å; L321-S329 PolarHBondContact N-O 3.08Å; L321-S329 PolarHBondContact O-N 3.27Å; L321-D331 HydrophobicContact CD1-CB 4.02Å; L321-D331 HydrophobicContact CG-CB 3.84Å
322F97.4Very high95.8Very high14 Ų1450.1 Ų50.16%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-127.2154.917365.6-88.9000111L244 I256 F286 F301 P305 N306 V308 E327L244-F322 HydrophobicContact CD1-CE2 3.99Å; L244-F322 HydrophobicContact CD1-CZ 3.69Å; I256-F322 HydrophobicContact CD1-CB 3.94Å; I256-F322 HydrophobicContact CD1-CD1 3.47Å; I256-F322 VanDerWaalsContact CD1-CD1 3.47Å; I256-F322 HydrophobicContact CD1-CD2 4.32Å; I256-F322 HydrophobicContact CD1-CE1 4Å; I256-F322 HydrophobicContact CD1-CG 3.64Å; I256-F322 HydrophobicContact CG2-CZ 4.44Å; F286-F322 AromaticContact CE2-CD2 3.9Å; F286-F322 HydrophobicContact CE2-CD2 3.9Å; F286-F322 HydrophobicContact CE2-CE2 4.12Å; F286-F322 HydrophobicContact CZ-CD2 4.23Å; F286-F322 HydrophobicContact CZ-CE2 4Å; F301-F322 HydrophobicContact CD1-CE1 4.33Å; F301-F322 HydrophobicContact CD1-CZ 4.5Å; F301-F322 HydrophobicContact CE1-CE1 4.14Å; F301-F322 HydrophobicContact CE1-CZ 4.09Å; P305-F322 WeakPolarHBondContact O-CZ 3.14Å; N306-F322 VanDerWaalsContact C-CD1 3.46Å; N306-F322 WeakPolarHBondContact CB-O 3.39Å; N306-F322 WeakPolarHBondContact O-CD1 3.36Å; N306-F322 WeakPolarHBondContact O-CE1 3.45Å; N306-F322 PolarHBondContact O-N 3.13Å; V308-F322 HydrophobicContact CG2-CD1 3.99Å; V308-F322 HydrophobicContact CG2-CE1 3.77Å; F322-E327 VanDerWaalsContact CA-O 3.29Å; F322-E327 WeakPolarHBondContact CA-O 3.36Å
323N94.7Very high95.8Very high61 Ų6155.3 Ų55.333%0.32627%0.271SS..  trans-120.2175.5176.872.921.4000112.4K325 G326 E327N323-K325 PolarHBondContact O-N 3.36Å; N323-K325 WeakPolarHBondContact OD1-CA 3.13Å; N323-K325 WeakPolarHBondContact OD1-CB 3.31Å; N323-K325 PolarHBondContact OD1-N 3.05Å; N323-G326 PolarHBondContact O-N 3.1Å; N323-G326 PolarHBondContact OD1-N 3.06Å; N323-E327 PolarHBondContact N-O 2.9Å; N323-E327 VanDerWaalsContact N-O 3.08Å; N323-E327 PolarHBondContact ND2-OE2 3.5Å; N323-E327 PolarHBondContact OD1-N 2.86Å; N323-E327 VanDerWaalsContact OD1-N 3.1Å
324Q88.3Confident95.9Very high185 Ų18556.2 Ų56.286%0.86428%0.278SS*.THydrogen-bonded Turntrans-64.9-23.8-179.9-64.7-176.71.400113.6G326Q324-G326 PolarHBondContact O-N 3.14Å
325K87.9Confident95.9Very high169 Ų16957.1 Ų57.174%0.73528%0.281SS*.THydrogen-bonded Turntrans-78.3-8.9175.3-59.7-178.1-179.41780112.5N323N323-K325 PolarHBondContact O-N 3.36Å; N323-K325 WeakPolarHBondContact OD1-CA 3.13Å; N323-K325 WeakPolarHBondContact OD1-CB 3.31Å; N323-K325 PolarHBondContact OD1-N 3.05Å
326G87.6Confident95.9Very high11 Ų1157.1 Ų57.111%0.11328%0.281CS..  trans89.16.8178.800000114.7F286 S287 N323 Q324F286-G326 VanDerWaalsContact O-CA 3.3Å; F286-G326 WeakPolarHBondContact O-CA 3.47Å; S287-G326 WeakPolarHBondContact CB-O 3.26Å; S287-G326 PolarHBondContact OG-O 2.87Å; N323-G326 PolarHBondContact O-N 3.1Å; N323-G326 PolarHBondContact OD1-N 3.06Å; Q324-G326 PolarHBondContact O-N 3.14Å
327E93.6Very high95.8Very high121 Ų12158.1 Ų58.157%0.56529%0.286SS*.  trans-74.8143174.8-60.9163.4159.100109.8F322 N323F322-E327 VanDerWaalsContact CA-O 3.29Å; F322-E327 WeakPolarHBondContact CA-O 3.36Å; N323-E327 PolarHBondContact N-O 2.9Å; N323-E327 VanDerWaalsContact N-O 3.08Å; N323-E327 PolarHBondContact ND2-OE2 3.5Å; N323-E327 PolarHBondContact OD1-N 2.86Å; N323-E327 VanDerWaalsContact OD1-N 3.1Å
328C96.5Very high95.5Very high40 Ų4065 Ų6527%0.2732%0.318SS..EExtended strand (participates in β ladder)trans-120.4140.8176-70.50000110.7S287 F289 F320 L321S287-C328 PolarHBondContact OG-SG 2.81Å; F289-C328 HydrophobicContact CB-CB 3.89Å; F320-C328 HydrophobicContact CD1-CB 4.36Å; L321-C328 CarbonylContact O-C 3.49Å; L321-C328 WeakPolarHBondContact O-CA 3.45Å
329S96.8Very high94.9Very high69 Ų6967.5 Ų67.548%0.48333%0.331SS..EExtended strand (participates in β ladder)trans-131.4138.2171.155.90000110.2F320 L321 D331F320-S329 CarbonylContact C-O 3.12Å; F320-S329 WeakPolarHBondContact CA-O 3.5Å; L321-S329 PolarHBondContact N-O 3.08Å; L321-S329 PolarHBondContact O-N 3.27Å; S329-D331 PolarHBondContact O-N 3.3Å
330R97.4Very high93.4Very high136 Ų13671.8 Ų71.851%0.51336%0.358SS..EExtended strand (participates in β ladder)trans-73.5126.2174.8-171.4179.266.9-179.31.4109.4F320F320-R330 HydrophobicContact CD1-CB 4.02Å; F320-R330 HydrophobicContact CE1-CB 3.63Å; F320-R330 HydrophobicContact CE1-CG 4.28Å; F320-R330 HydrophobicContact CE2-CB 4.46Å; F320-R330 HydrophobicContact CE2-CG 4.23Å; F320-R330 HydrophobicContact CZ-CB 3.88Å; F320-R330 HydrophobicContact CZ-CG 4.06Å
331D97.6Very high91.5Very high83 Ų8377 Ų7744%0.44439%0.387SS..EExtended strand (participates in β ladder)trans-100.7-49.617918048.6000111K319 L321 S329K319-D331 WeakPolarHBondContact CD-OD2 3.49Å; K319-D331 VanDerWaalsContact CE-OD2 3.3Å; K319-D331 WeakPolarHBondContact CE-OD2 3.09Å; K319-D331 HydrophobicContact CG-CB 4.23Å; K319-D331 IonicContact NZ-OD2 3.23Å; K319-D331 PolarHBondContact O-N 3.46Å; L321-D331 HydrophobicContact CD1-CB 4.02Å; L321-D331 HydrophobicContact CG-CB 3.84Å; S329-D331 PolarHBondContact O-N 3.3Å
332V97.6Very high88.8Confident53 Ų5383.9 Ų83.932%0.32142%0.418SS..EExtended strand (participates in β ladder)trans-125.7143.8179.3-173.60000110.8Y317 Y318 K319Y317-V332 HydrophobicContact CD1-CG1 4.4Å; Y317-V332 HydrophobicContact CE1-CB 4.3Å; Y317-V332 HydrophobicContact CE1-CG1 4.1Å; Y318-V332 WeakPolarHBondContact CA-O 3.29Å; K319-V332 HydrophobicContact CB-CB 3.76Å; K319-V332 HydrophobicContact CB-CG2 4.07Å; K319-V332 HydrophobicContact CD-CG2 4.12Å; K319-V332 PolarHBondContact N-O 3.19Å; K319-V332 PolarHBondContact O-N 3.17Å
333Y97.4Very high85.9Confident110 Ų11092.3 Ų92.343%0.43146%0.455SS..EExtended strand (participates in β ladder)trans-135.6136.9165.5164.6-105.7000109.2Y317 Y318 Q335Y317-Y333 WeakPolarHBondContact O-CA 3.31Å; Y318-Y333 AromaticContact CD1-CD2 3.78Å; Y318-Y333 HydrophobicContact CD1-CD2 3.78Å; Y318-Y333 AromaticContact CE1-CD2 3.29Å; Y318-Y333 HydrophobicContact CE1-CD2 3.29Å; Y318-Y333 AromaticContact CE1-CE2 3.81Å; Y318-Y333 HydrophobicContact CE1-CE2 3.81Å; Y318-Y333 HydrophobicContact CE1-CG 4.26Å; Y318-Y333 AromaticContact CZ-CD2 3.79Å; Y318-Y333 AromaticContact CZ-CE2 3.86Å; Y333-Q335 PolarHBondContact OH-NE2 3.37Å
334A97.5Very high83.1Confident21 Ų2198.3 Ų98.317%0.17449%0.485CS..EExtended strand (participates in β ladder)trans-149.8153.517400000111.1L41 Y317L41-A334 HydrophobicContact CD2-CB 3.53Å; Y317-A334 PolarHBondContact N-O 3.38Å; Y317-A334 PolarHBondContact O-N 2.95Å
335Q97.4Very high82.9Confident49 Ų4994 Ų9423%0.22947%0.466CS..EExtended strand (participates in β ladder)trans-93.994.7163.5-73.4-62.2-29.100107.8G315 S316 Y333 L337 E338 M339G315-Q335 CarbonylContact O-C 3.5Å; G315-Q335 WeakPolarHBondContact O-CA 3.12Å; G315-Q335 PolarHBondContact O-OE1 2.97Å; S316-Q335 PolarHBondContact OG-NE2 3Å; Y333-Q335 PolarHBondContact OH-NE2 3.37Å; Q335-L337 PolarHBondContact O-N 2.87Å; Q335-E338 HydrophobicContact CB-CB 4.12Å; Q335-E338 HydrophobicContact CB-CG 4.12Å; Q335-E338 PolarHBondContact O-N 3.19Å; Q335-E338 VanDerWaalsContact O-N 3.11Å; Q335-M339 PolarHBondContact O-N 3.32Å
336F96.8Very high82.6Confident0 Ų090 Ų900%045%0.451CS..G310 helixtrans-69.3-23.7-167.267.6-97000112.9L13 F25 Y36 L41 I311 G315 E338 M339L13-F336 HydrophobicContact CD2-CZ 4.21Å; F25-F336 HydrophobicContact CE2-CD2 4.02Å; F25-F336 HydrophobicContact CE2-CE2 4.15Å; F25-F336 HydrophobicContact CE2-CG 4.36Å; F25-F336 HydrophobicContact CZ-CB 4.47Å; F25-F336 HydrophobicContact CZ-CD2 4.29Å; F25-F336 HydrophobicContact CZ-CG 4.24Å; Y36-F336 HydrophobicContact CD2-CD2 4.49Å; Y36-F336 HydrophobicContact CE1-CB 4.46Å; Y36-F336 HydrophobicContact CE1-CD2 4.45Å; Y36-F336 WeakPolarHBondContact CE1-O 3.45Å; Y36-F336 AromaticContact CE2-CD2 3.88Å; Y36-F336 HydrophobicContact CE2-CD2 3.88Å; Y36-F336 HydrophobicContact CE2-CE2 4.38Å; Y36-F336 AromaticContact CZ-CD2 3.9Å; Y36-F336 PolarHBondContact OH-O 2.98Å; L41-F336 HydrophobicContact CD1-CB 4.35Å; L41-F336 HydrophobicContact CD2-CB 4.17Å; I311-F336 HydrophobicContact CG2-CD1 4.33Å; I311-F336 HydrophobicContact CG2-CE1 3.61Å; I311-F336 HydrophobicContact CG2-CZ 3.88Å; G315-F336 WeakPolarHBondContact O-CD1 3.5Å; G315-F336 WeakPolarHBondContact O-CE1 3.37Å; G315-F336 PolarHBondContact O-N 3.45Å; F336-E338 VanDerWaalsContact C-N 3.3Å; F336-M339 HydrophobicContact CB-SD 4.32Å
337L95.6Very high82.3Confident24 Ų2494.4 Ų94.413%0.12647%0.47CS..G310 helixtrans-74.5-20.6175.9-65.3178.5000113.4N11 L13 M29 R34 Q335N11-L337 HydrophobicContact CB-CD1 3.97Å; L13-L337 HydrophobicContact CB-CD1 4.34Å; M29-L337 HydrophobicContact CE-CD1 4.4Å; M29-L337 HydrophobicContact CE-CD2 3.67Å; M29-L337 HydrophobicContact SD-CD2 4Å; R34-L337 PolarHBondContact NH1-O 2.83Å; Q335-L337 PolarHBondContact O-N 2.87Å
338E93.3Very high81.7Confident146 Ų14692.8 Ų92.868%0.68247%0.465SS*.G310 helixtrans-100.20.4-178.4-60.4-178.1178.400112.7Q335 F336 T340Q335-E338 HydrophobicContact CB-CB 4.12Å; Q335-E338 HydrophobicContact CB-CG 4.12Å; Q335-E338 PolarHBondContact O-N 3.19Å; Q335-E338 VanDerWaalsContact O-N 3.11Å; F336-E338 VanDerWaalsContact C-N 3.3Å; E338-T340 PolarHBondContact O-N 2.96Å; E338-T340 VanDerWaalsContact O-N 3.13Å
339M84.9Confident80.8Confident62 Ų6296.1 Ų96.131%0.30548%0.477SS..  trans-63.8117176.2-67.3-178.776.100109.3L41 Q335 F336L41-M339 HydrophobicContact CD1-SD 4.36Å; L41-M339 HydrophobicContact CD2-CE 4.22Å; L41-M339 HydrophobicContact CD2-SD 3.47Å; L41-M339 WeakPolarHBondContact CD2-SD 3.44Å; L41-M339 HydrophobicContact CG-CE 4.06Å; L41-M339 HydrophobicContact CG-SD 3.64Å; Q335-M339 PolarHBondContact O-N 3.32Å; F336-M339 HydrophobicContact CB-SD 4.32Å
340T65.7Low79.7Confident98 Ų9897.9 Ų97.960%0.60148%0.476SS*.  trans-98.5149164.756.70000108.6E338 E342E338-T340 PolarHBondContact O-N 2.96Å; E338-T340 VanDerWaalsContact O-N 3.13Å; T340-E342 PolarHBondContact O-N 3.15Å
341D58.8Low78.4Confident129 Ų12995.2 Ų95.269%0.6947%0.474SS*.THydrogen-bonded Turntrans-57.4-8.8-179.5-78.7-38000114.3K343D341-K343 PolarHBondContact O-N 3.21Å
342E43.1Very low77Confident180 Ų18096.2 Ų96.284%0.84148%0.476SS*.THydrogen-bonded Turntrans-86.54.8-172.7-64.9-165.9158.900115.7T340T340-E342 PolarHBondContact O-N 3.15Å
343K35.5Very low75.2Confident192 Ų19299.8 Ų99.884%0.83549%0.489SS*.  trans-127.176.2173.1-70-173.7-179.2176.70111.5D341D341-K343 PolarHBondContact O-N 3.21Å
344I36.9Very low73.2Confident186 Ų18698.8 Ų98.895%0.95449%0.494SS*.  trans-1190161-61.3-178.4000108.2K42K42-I344 HydrophobicContact CD-CD1 4.22Å

Retrieved 344 of 344 residues in 657.6 ms (Link to these results)

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