X5J5L9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L9, Species MOUSE (Mus musculus, Mouse), Gene Ighv4-2, Length 95 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
1L96.5Very high93.6Very high63 Ų6355.7 Ų55.733%0.3340%0.396SS..  0149.60-59.5-179.2000109.9W17 Y61 L62 M64 Y75 T89 V91L1-W17 HydrophobicContact CB-CH2 3.75Å; L1-W17 HydrophobicContact CB-CZ2 4.23Å; L1-W17 HydrophobicContact CB-CZ3 4.28Å; L1-W17 HydrophobicContact CD1-CH2 4.4Å; L1-W17 HydrophobicContact CD1-CZ3 4.09Å; L1-Y61 CarbonylContact O-C 3.55Å; L1-Y61 VanDerWaalsContact O-CA 3.28Å; L1-Y61 WeakPolarHBondContact O-CA 3.28Å; L1-L62 HydrophobicContact CB-CB 4.25Å; L1-L62 HydrophobicContact CD1-CD2 4.48Å; L1-L62 PolarHBondContact N-O 3.42Å; L1-L62 PolarHBondContact O-N 2.8Å; L1-M64 HydrophobicContact CD1-CE 3.45Å; L1-M64 VanDerWaalsContact CD1-CE 3.45Å; L1-M64 HydrophobicContact CG-CE 3.8Å; L1-Y75 HydrophobicContact CD1-CD1 4.22Å; L1-Y75 HydrophobicContact CD1-CD2 4.31Å; L1-Y75 HydrophobicContact CD1-CG 3.73Å; L1-T89 HydrophobicContact CD2-CG2 3.9Å; L1-V91 HydrophobicContact CD1-CG2 4.07Å; L1-V91 HydrophobicContact CD2-CG2 3.97Å; L1-V91 HydrophobicContact CG-CG2 4.45Å
2S97.4Very high93.6Very high78 Ų7865.9 Ų65.955%0.54542%0.419SS..EExtended strand (participates in β ladder)trans-125.5150.5170.653.70000109.7L60S2-L60 CarbonylContact C-O 3.59Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.49Å
3C96.7Very high93.6Very high21 Ų2167.2 Ų67.214%0.14241%0.411CS..EExtended strand (participates in β ladder)trans-137.9110.6173.3165.70000108.6W17 T59 L60 C77C3-W17 HydrophobicContact CB-CH2 3.96Å; C3-W17 HydrophobicContact CB-CZ2 4.06Å; C3-T59 CarbonylContact O-C 3.59Å; C3-T59 WeakPolarHBondContact O-CA 3.38Å; C3-L60 HydrophobicContact CB-CB 4.47Å; C3-L60 PolarHBondContact N-O 3.31Å; C3-L60 PolarHBondContact O-N 2.98Å; C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.25Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.95Å
4A96.3Very high93.7Very high78 Ų7869.5 Ų69.565%0.64541%0.409SS*.EExtended strand (participates in β ladder)trans-84.2125.3174.700000109.4
5A93.3Very high93.9Very high17 Ų1765.2 Ų65.214%0.1438%0.383CS..  trans-93.7146.8178.300000110.8F8 F10 N58A5-F8 HydrophobicContact CB-CE1 3.83Å; A5-F8 HydrophobicContact CB-CE2 4.49Å; A5-F8 HydrophobicContact CB-CZ 3.65Å; A5-F10 HydrophobicContact CB-CB 4.28Å; A5-F10 HydrophobicContact CB-CD2 3.5Å; A5-F10 VanDerWaalsContact CB-CD2 3.5Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.23Å; A5-N58 PolarHBondContact N-O 3.25Å
6S92Very high94.1Very high106 Ų10661.4 Ų61.474%0.74136%0.361SS*.  trans-147.2158.5175.662.50000110F8S6-F8 VanDerWaalsContact C-N 3.34Å; S6-F8 WeakPolarHBondContact O-CD1 3.48Å; S6-F8 PolarHBondContact O-N 2.97Å
7G89.9Confident94.4Very high89 Ų8958 Ų5892%0.91834%0.341SS*.SBendtrans84.3-0.2178.600000115.6
8F88.8Confident94.6Very high42 Ų4255.2 Ų55.218%0.18432%0.324CS..SBendtrans-152.9165.5174.566.1-82.9000111.8A5 S6 F10 Y13 M15 Y79A5-F8 HydrophobicContact CB-CE1 3.83Å; A5-F8 HydrophobicContact CB-CE2 4.49Å; A5-F8 HydrophobicContact CB-CZ 3.65Å; S6-F8 VanDerWaalsContact C-N 3.34Å; S6-F8 WeakPolarHBondContact O-CD1 3.48Å; S6-F8 PolarHBondContact O-N 2.97Å; F8-F10 HydrophobicContact CE2-CB 4.28Å; F8-F10 HydrophobicContact CE2-CD2 4.41Å; F8-F10 HydrophobicContact CZ-CD2 4.46Å; F8-F10 PolarHBondContact O-N 3.47Å; F8-Y13 AromaticContact CD2-CD2 3.92Å; F8-Y13 HydrophobicContact CD2-CD2 3.92Å; F8-Y13 HydrophobicContact CD2-CE2 4.38Å; F8-Y13 HydrophobicContact CE2-CD2 4.39Å; F8-M15 HydrophobicContact CE2-SD 4.09Å; F8-M15 HydrophobicContact CZ-CE 4.23Å; F8-M15 HydrophobicContact CZ-SD 4.14Å; F8-Y79 HydrophobicContact CD2-CD1 4.44Å; F8-Y79 HydrophobicContact CD2-CE1 4.28Å; F8-Y79 HydrophobicContact CE1-CD1 4.5Å; F8-Y79 HydrophobicContact CE2-CD1 4.13Å; F8-Y79 HydrophobicContact CE2-CE1 4.37Å; F8-Y79 HydrophobicContact CE2-CG 4.4Å; F8-Y79 HydrophobicContact CZ-CD1 4.17Å; F8-Y79 HydrophobicContact CZ-CG 4.43Å
9D91.9Very high94.7Very high75 Ų7553.3 Ų53.340%0.40131%0.311SS..  trans-77.785.5175.3-175.2-4.8000110.7S11 R12 Y13D9-S11 PolarHBondContact O-N 3.08Å; D9-S11 VanDerWaalsContact O-N 3.08Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 3.1Å; D9-S11 PolarHBondContact OD1-OG 3.21Å; D9-R12 HydrophobicContact CB-CG 4.44Å; D9-R12 PolarHBondContact O-N 2.93Å; D9-R12 VanDerWaalsContact O-N 3.15Å; D9-R12 WeakPolarHBondContact OD2-CD 3.38Å; D9-R12 WeakPolarHBondContact OD2-CG 3.34Å; D9-Y13 WeakPolarHBondContact O-CD2 3.39Å; D9-Y13 WeakPolarHBondContact O-CE2 3.31Å
10F93.6Very high94.8Very high1 Ų154 Ų540%0.00431%0.311CS..G310 helixtrans-48.6-37.4179.7176.5-95.9000113A5 F8 R12 Y13 M15 R53 N55 N58 L60A5-F10 HydrophobicContact CB-CB 4.28Å; A5-F10 HydrophobicContact CB-CD2 3.5Å; A5-F10 VanDerWaalsContact CB-CD2 3.5Å; A5-F10 HydrophobicContact CB-CE2 4.19Å; A5-F10 HydrophobicContact CB-CG 4.23Å; F8-F10 HydrophobicContact CE2-CB 4.28Å; F8-F10 HydrophobicContact CE2-CD2 4.41Å; F8-F10 HydrophobicContact CZ-CD2 4.46Å; F8-F10 PolarHBondContact O-N 3.47Å; F10-R12 PolarHBondContact O-N 3.23Å; F10-R12 VanDerWaalsContact O-N 3.14Å; F10-Y13 PolarHBondContact O-N 2.97Å; F10-M15 HydrophobicContact CD2-CE 4.22Å; F10-M15 HydrophobicContact CD2-CG 3.98Å; F10-M15 HydrophobicContact CD2-SD 3.94Å; F10-M15 HydrophobicContact CE2-CB 4.44Å; F10-M15 HydrophobicContact CE2-CE 3.96Å; F10-M15 HydrophobicContact CE2-CG 3.51Å; F10-M15 HydrophobicContact CE2-SD 3.94Å; F10-M15 HydrophobicContact CZ-CG 4.04Å; F10-R53 VanDerWaalsContact CD1-NH2 3.33Å; F10-R53 HydrophobicContact CE1-CB 4.18Å; F10-R53 VanDerWaalsContact CE1-NH2 3.27Å; F10-R53 HydrophobicContact CZ-CB 4.12Å; F10-R53 PolarHBondContact O-NH2 3.42Å; F10-N55 WeakPolarHBondContact CE1-OD1 3.35Å; F10-N58 HydrophobicContact CB-CB 3.91Å; F10-N58 HydrophobicContact CD1-CB 4.39Å; F10-N58 HydrophobicContact CG-CB 4.17Å; F10-L60 HydrophobicContact CE2-CB 4.16Å; F10-L60 HydrophobicContact CZ-CB 4.1Å
11S93.9Very high94.9Very high43 Ų4352.5 Ų52.530%0.30131%0.305SS..G310 helixtrans-65-18.9-173.877.80000114D9 P34D9-S11 PolarHBondContact O-N 3.08Å; D9-S11 VanDerWaalsContact O-N 3.08Å; D9-S11 WeakPolarHBondContact OD1-CB 3.34Å; D9-S11 PolarHBondContact OD1-N 3.1Å; D9-S11 PolarHBondContact OD1-OG 3.21Å; S11-P34 VanDerWaalsContact O-CB 3.31Å; S11-P34 WeakPolarHBondContact O-CB 3.35Å
12R93.1Very high94.8Very high178 Ų17854.6 Ų54.667%0.67232%0.322SS*.G310 helixtrans-96.2-7.3-175.4-65.8-171.872.4174.83.9114.6D9 F10 P34D9-R12 HydrophobicContact CB-CG 4.44Å; D9-R12 PolarHBondContact O-N 2.93Å; D9-R12 VanDerWaalsContact O-N 3.15Å; D9-R12 WeakPolarHBondContact OD2-CD 3.38Å; D9-R12 WeakPolarHBondContact OD2-CG 3.34Å; F10-R12 PolarHBondContact O-N 3.23Å; F10-R12 VanDerWaalsContact O-N 3.14Å; R12-P34 WeakPolarHBondContact O-CG 3.3Å
13Y93Very high94.8Very high82 Ų8255.1 Ų55.132%0.32234%0.341SS..SBendtrans-120.9153.6-170-61.1-69.7000113.4F8 D9 F10 R53 Y79F8-Y13 AromaticContact CD2-CD2 3.92Å; F8-Y13 HydrophobicContact CD2-CD2 3.92Å; F8-Y13 HydrophobicContact CD2-CE2 4.38Å; F8-Y13 HydrophobicContact CE2-CD2 4.39Å; D9-Y13 WeakPolarHBondContact O-CD2 3.39Å; D9-Y13 WeakPolarHBondContact O-CE2 3.31Å; F10-Y13 PolarHBondContact O-N 2.97Å; Y13-R53 PolarHBondContact O-NH1 3.15Å; Y13-Y79 VanDerWaalsContact CB-CE2 3.45Å; Y13-Y79 AromaticContact CD1-CE2 3.63Å; Y13-Y79 HydrophobicContact CD1-CE2 3.63Å; Y13-Y79 AromaticContact CD1-CZ 3.71Å; Y13-Y79 WeakPolarHBondContact CD1-OH 3.44Å; Y13-Y79 HydrophobicContact CD2-CE2 4.2Å; Y13-Y79 AromaticContact CD2-CZ 3.93Å; Y13-Y79 HydrophobicContact CE1-CE2 4.44Å; Y13-Y79 WeakPolarHBondContact CE1-OH 3.19Å; Y13-Y79 HydrophobicContact CG-CD2 4.41Å; Y13-Y79 AromaticContact CG-CE2 3.47Å; Y13-Y79 HydrophobicContact CG-CE2 3.47Å; Y13-Y79 VanDerWaalsContact CG-CE2 3.47Å; Y13-Y79 AromaticContact CG-CZ 3.61Å
14W95.6Very high94.7Very high100 Ų10061.1 Ų61.138%0.37936%0.364SS..  trans-70.5143166.3-72.566.3000109.6E31 I32 N33 T38W14-E31 HydrophobicContact CE3-CB 4.24Å; W14-E31 HydrophobicContact CE3-CG 3.46Å; W14-E31 VanDerWaalsContact CE3-CG 3.46Å; W14-E31 HydrophobicContact CZ3-CG 3.6Å; W14-I32 WeakPolarHBondContact CA-O 3.02Å; W14-N33 HydrophobicContact CD2-CB 3.68Å; W14-N33 HydrophobicContact CE3-CB 3.97Å; W14-N33 HydrophobicContact CG-CB 4.39Å; W14-N33 HydrophobicContact CH2-CB 3.72Å; W14-N33 HydrophobicContact CZ2-CB 3.38Å; W14-N33 HydrophobicContact CZ3-CB 3.99Å; W14-T38 HydrophobicContact CH2-CG2 3.95Å
15M96.9Very high94.6Very high5 Ų560.1 Ų60.13%0.02536%0.361CS..EExtended strand (participates in β ladder)trans-130.4135.4-177.2-63.6-60.8-53.200109.4F8 F10 E31 I32 L60 Y79F8-M15 HydrophobicContact CE2-SD 4.09Å; F8-M15 HydrophobicContact CZ-CE 4.23Å; F8-M15 HydrophobicContact CZ-SD 4.14Å; F10-M15 HydrophobicContact CD2-CE 4.22Å; F10-M15 HydrophobicContact CD2-CG 3.98Å; F10-M15 HydrophobicContact CD2-SD 3.94Å; F10-M15 HydrophobicContact CE2-CB 4.44Å; F10-M15 HydrophobicContact CE2-CE 3.96Å; F10-M15 HydrophobicContact CE2-CG 3.51Å; F10-M15 HydrophobicContact CE2-SD 3.94Å; F10-M15 HydrophobicContact CZ-CG 4.04Å; M15-E31 CarbonylContact O-C 3.45Å; M15-E31 WeakPolarHBondContact O-CA 3.45Å; M15-E31 WeakPolarHBondContact O-CB 3.44Å; M15-I32 HydrophobicContact CB-CG2 4.4Å; M15-I32 PolarHBondContact N-O 2.78Å; M15-I32 VanDerWaalsContact N-O 3.08Å; M15-I32 PolarHBondContact O-N 2.92Å; M15-L60 HydrophobicContact CB-CD1 3.74Å; M15-L60 HydrophobicContact CB-CD2 3.9Å; M15-L60 HydrophobicContact CB-CG 4.33Å; M15-Y79 HydrophobicContact SD-CD2 4.34Å; M15-Y79 HydrophobicContact SD-CG 4.37Å
16S97.3Very high94.8Very high4 Ų464 Ų643%0.02838%0.379CS..EExtended strand (participates in β ladder)trans-115.3155.3-174.2-75.20000112.3W28 G30 E31 C77 Y78S16-W28 PolarHBondContact OG-NE1 2.72Å; S16-G30 CarbonylContact C-O 3.58Å; S16-G30 VanDerWaalsContact CA-O 3.32Å; S16-G30 WeakPolarHBondContact CA-O 3.48Å; S16-E31 WeakPolarHBondContact OG-CB 3.25Å; S16-C77 CarbonylContact O-C 3.59Å; S16-C77 WeakPolarHBondContact O-CA 3.32Å; S16-Y78 PolarHBondContact N-O 3.23Å; S16-Y78 PolarHBondContact O-N 3.49Å
17W98.1Very high95Very high4 Ų462 Ų622%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-111.9138.7160.2-78.598.9000110.2L1 C3 I29 G30 L60 Y61 L62 Y76 C77L1-W17 HydrophobicContact CB-CH2 3.75Å; L1-W17 HydrophobicContact CB-CZ2 4.23Å; L1-W17 HydrophobicContact CB-CZ3 4.28Å; L1-W17 HydrophobicContact CD1-CH2 4.4Å; L1-W17 HydrophobicContact CD1-CZ3 4.09Å; C3-W17 HydrophobicContact CB-CH2 3.96Å; C3-W17 HydrophobicContact CB-CZ2 4.06Å; W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.02Å; W17-I29 WeakPolarHBondContact O-CB 3.48Å; W17-I29 PolarHBondContact O-N 2.83Å; W17-G30 PolarHBondContact N-O 3.06Å; W17-L60 HydrophobicContact CD2-CD2 4.34Å; W17-L60 HydrophobicContact CG-CD2 4.26Å; W17-L60 HydrophobicContact CZ2-CD2 4.3Å; W17-L60 HydrophobicContact CZ2-CG 4.42Å; W17-L60 VanDerWaalsContact NE1-CG 3.34Å; W17-Y61 PolarHBondContact NE1-O 2.93Å; W17-L62 HydrophobicContact CB-CD1 4.27Å; W17-L62 HydrophobicContact CB-CD2 4.34Å; W17-L62 HydrophobicContact CD2-CB 3.85Å; W17-L62 HydrophobicContact CD2-CD2 3.97Å; W17-L62 HydrophobicContact CD2-CG 4.35Å; W17-L62 HydrophobicContact CE3-CB 4.47Å; W17-L62 HydrophobicContact CE3-CD2 4.12Å; W17-L62 HydrophobicContact CG-CB 4.13Å; W17-L62 HydrophobicContact CG-CD1 3.94Å; W17-L62 HydrophobicContact CG-CD2 4.06Å; W17-L62 HydrophobicContact CG-CG 4.29Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; W17-Y76 WeakPolarHBondContact CA-O 3.46Å; W17-Y76 VanDerWaalsContact CE3-C 3.43Å; W17-C77 HydrophobicContact CE3-CB 4.47Å; W17-C77 HydrophobicContact CH2-CB 4.26Å; W17-C77 HydrophobicContact CZ2-CB 4.41Å; W17-C77 HydrophobicContact CZ3-CB 4.3Å
18V97.8Very high95.3Very high7 Ų761.8 Ų61.84%0.04233%0.33CS..EExtended strand (participates in β ladder)trans-131.3146.9176.8-178.70000107.5L26 E27 Y75 Y76 W85V18-L26 HydrophobicContact CG1-CB 3.93Å; V18-L26 HydrophobicContact CG1-CD2 3.82Å; V18-L26 HydrophobicContact CG1-CG 4.41Å; V18-E27 CarbonylContact C-O 3.46Å; V18-E27 WeakPolarHBondContact CA-O 3.46Å; V18-E27 WeakPolarHBondContact CG1-O 3.1Å; V18-Y75 CarbonylContact O-C 3.59Å; V18-Y75 WeakPolarHBondContact O-CA 3.42Å; V18-Y76 PolarHBondContact N-O 3.41Å; V18-Y76 PolarHBondContact O-N 3.15Å; V18-W85 HydrophobicContact CB-CH2 4.18Å; V18-W85 HydrophobicContact CB-CZ3 3.8Å; V18-W85 HydrophobicContact CG1-CH2 4Å; V18-W85 HydrophobicContact CG1-CZ3 3.87Å; V18-W85 HydrophobicContact CG2-CH2 3.95Å; V18-W85 HydrophobicContact CG2-CZ3 3.94Å
19R97.3Very high95.7Very high19 Ų1959.8 Ų59.87%0.07232%0.321CS..EExtended strand (participates in β ladder)trans-128.1160.3171.867.4179.5-168.8172.66.3112.5E27 I29 D71 A73 L74 Y75R19-E27 HydrophobicContact CG-CB 4.18Å; R19-E27 IonicContact CZ-OE2 3.7Å; R19-E27 PolarHBondContact N-O 2.85Å; R19-E27 IonicContact NE-OE2 2.75Å; R19-E27 PolarHBondContact NE-OE2 2.62Å; R19-E27 IonicContact NH2-OE1 3.49Å; R19-E27 IonicContact NH2-OE2 3.77Å; R19-E27 PolarHBondContact NH2-OE2 2.81Å; R19-E27 PolarHBondContact O-N 2.77Å; R19-I29 HydrophobicContact CB-CD1 3.9Å; R19-I29 HydrophobicContact CB-CG1 4.39Å; R19-I29 HydrophobicContact CG-CD1 4.04Å; R19-I29 HydrophobicContact CG-CG1 4.02Å; R19-D71 IonicContact CZ-OD1 3.83Å; R19-D71 IonicContact NH1-OD1 2.85Å; R19-D71 PolarHBondContact NH1-OD1 3.15Å; R19-D71 IonicContact NH2-OD1 3.2Å; R19-A73 HydrophobicContact CB-CB 4.03Å; R19-L74 CarbonylContact C-O 3.5Å; R19-L74 WeakPolarHBondContact CA-O 2.97Å; R19-L74 WeakPolarHBondContact CB-O 3.48Å; R19-Y75 HydrophobicContact CB-CD1 3.84Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CG 4.25Å; R19-Y75 HydrophobicContact CG-CE1 4.49Å
20Q97.6Very high96Very high68 Ų6856.2 Ų56.232%0.31830%0.302SS..EExtended strand (participates in β ladder)trans-136.1106.8174.9-169.5179.422.700109.5K24 L26 A73 L74 Y76Q20-K24 WeakPolarHBondContact CG-O 3.35Å; Q20-K24 PolarHBondContact NE2-O 2.86Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; Q20-A73 WeakPolarHBondContact O-CA 3.44Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.18Å; Q20-L74 PolarHBondContact N-O 3.15Å; Q20-L74 PolarHBondContact O-N 3.1Å; Q20-Y76 HydrophobicContact CB-CE2 4.04Å; Q20-Y76 PolarHBondContact OE1-OH 3.39Å
21A96.3Very high96.2Very high22 Ų2258.3 Ų58.318%0.18231%0.312CS..  trans-73.1152.7172.600000110.6G23 K24 A73A21-G23 PolarHBondContact O-N 2.82Å; A21-K24 HydrophobicContact CB-CB 4.09Å; A21-K24 HydrophobicContact CB-CG 3.97Å; A21-K24 WeakPolarHBondContact O-CB 3.4Å; A21-K24 PolarHBondContact O-N 2.87Å; A21-A73 HydrophobicContact CB-CB 4.44Å
22P95.2Very high96.4Very high107 Ų10756.3 Ų56.370%0.69530%0.297SS*.THydrogen-bonded Turntrans-53.7126.9177.4-26.334.7000112.2K24 T72P22-K24 PolarHBondContact O-N 2.78Å; P22-T72 WeakPolarHBondContact CD-O 3.31Å
23G95.4Very high96.6Very high90 Ų9048.5 Ų48.593%0.92827%0.269SS*.THydrogen-bonded Turntrans70.412.3-178.800000115.1A21A21-G23 PolarHBondContact O-N 2.82Å
24K95.3Very high96.7Very high147 Ų14746.2 Ų46.264%0.63926%0.264SS*.SBendtrans-116.4161.8176.2-58.9-64.8-175.21770111.4Q20 A21 P22Q20-K24 WeakPolarHBondContact CG-O 3.35Å; Q20-K24 PolarHBondContact NE2-O 2.86Å; A21-K24 HydrophobicContact CB-CB 4.09Å; A21-K24 HydrophobicContact CB-CG 3.97Å; A21-K24 WeakPolarHBondContact O-CB 3.4Å; A21-K24 PolarHBondContact O-N 2.87Å; P22-K24 PolarHBondContact O-N 2.78Å
25G95.4Very high96.7Very high56 Ų5646.7 Ų46.758%0.57727%0.274SS*.  trans-72.3177.4170.900000112.5
26L95.9Very high96.8Very high99 Ų9948.9 Ų48.952%0.51829%0.29SS..EExtended strand (participates in β ladder)trans-66.1132171.8-67.9167.1000110V18 Q20 Y76 W85V18-L26 HydrophobicContact CG1-CB 3.93Å; V18-L26 HydrophobicContact CG1-CD2 3.82Å; V18-L26 HydrophobicContact CG1-CG 4.41Å; Q20-L26 HydrophobicContact CB-CD2 4.1Å; L26-Y76 HydrophobicContact CD2-CD2 4.36Å; L26-Y76 HydrophobicContact CD2-CE2 4.2Å; L26-W85 HydrophobicContact CD1-CH2 3.88Å; L26-W85 HydrophobicContact CD1-CZ2 4.4Å; L26-W85 HydrophobicContact CD1-CZ3 4.41Å; L26-W85 HydrophobicContact CD2-CH2 4.47Å; L26-W85 HydrophobicContact CD2-CZ3 4.28Å
27E96.6Very high96.8Very high63 Ų6352.9 Ų52.929%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-120.3118.3176.6-176.2-177.9-15900108.6V18 R19 L45V18-E27 CarbonylContact C-O 3.46Å; V18-E27 WeakPolarHBondContact CA-O 3.46Å; V18-E27 WeakPolarHBondContact CG1-O 3.1Å; R19-E27 HydrophobicContact CG-CB 4.18Å; R19-E27 IonicContact CZ-OE2 3.7Å; R19-E27 PolarHBondContact N-O 2.85Å; R19-E27 IonicContact NE-OE2 2.75Å; R19-E27 PolarHBondContact NE-OE2 2.62Å; R19-E27 IonicContact NH2-OE1 3.49Å; R19-E27 IonicContact NH2-OE2 3.77Å; R19-E27 PolarHBondContact NH2-OE2 2.81Å; R19-E27 PolarHBondContact O-N 2.77Å; E27-L45 HydrophobicContact CG-CD1 4.24Å
28W97.1Very high96.8Very high86 Ų8655.5 Ų55.533%0.32633%0.334SS..EExtended strand (participates in β ladder)trans-70.7132.8175.3-179.882.6000110.1S16 G30 E31 N40 T42S16-W28 PolarHBondContact OG-NE1 2.72Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 VanDerWaalsContact CZ2-CA 3.4Å; W28-G30 PolarHBondContact NE1-O 2.85Å; W28-E31 HydrophobicContact CH2-CG 4.4Å; W28-E31 HydrophobicContact CZ2-CB 3.79Å; W28-E31 HydrophobicContact CZ2-CG 3.63Å; W28-N40 HydrophobicContact CH2-CB 3.75Å; W28-N40 HydrophobicContact CZ2-CB 4.4Å; W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.46Å; W28-T42 PolarHBondContact O-OG1 2.75Å
29I97.4Very high96.8Very high0 Ų058 Ų580%035%0.347CS..EExtended strand (participates in β ladder)trans-91.3-47.1179.5-66.2163.2000110.2W17 R19 Y41 T42 L45 F49 L62 Y75W17-I29 HydrophobicContact CB-CB 4.1Å; W17-I29 HydrophobicContact CB-CD1 4.02Å; W17-I29 WeakPolarHBondContact O-CB 3.48Å; W17-I29 PolarHBondContact O-N 2.83Å; R19-I29 HydrophobicContact CB-CD1 3.9Å; R19-I29 HydrophobicContact CB-CG1 4.39Å; R19-I29 HydrophobicContact CG-CD1 4.04Å; R19-I29 HydrophobicContact CG-CG1 4.02Å; I29-Y41 WeakPolarHBondContact O-CA 3.43Å; I29-T42 PolarHBondContact O-N 2.84Å; I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.03Å; I29-F49 HydrophobicContact CG2-CB 4.08Å; I29-F49 HydrophobicContact CG2-CD2 3.76Å; I29-F49 HydrophobicContact CG2-CG 4.08Å; I29-L62 HydrophobicContact CD1-CD2 3.96Å; I29-L62 HydrophobicContact CG2-CD1 4.3Å; I29-Y75 HydrophobicContact CD1-CD1 3.64Å; I29-Y75 HydrophobicContact CD1-CE1 3.68Å
30G97.5Very high96.8Very high0 Ų060.3 Ų60.30%036%0.361CS..EExtended strand (participates in β ladder)trans167.1174.1-172.200000112.1S16 W17 W28 N40S16-G30 CarbonylContact C-O 3.58Å; S16-G30 VanDerWaalsContact CA-O 3.32Å; S16-G30 WeakPolarHBondContact CA-O 3.48Å; W17-G30 PolarHBondContact N-O 3.06Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 VanDerWaalsContact CZ2-CA 3.4Å; W28-G30 PolarHBondContact NE1-O 2.85Å; G30-N40 CarbonylContact C-O 3.59Å; G30-N40 WeakPolarHBondContact CA-O 3.42Å
31E97.4Very high96.8Very high45 Ų4559.2 Ų59.221%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-144.7157.3178.571.9-175159.500111.5W14 M15 S16 W28 I39 N40W14-E31 HydrophobicContact CE3-CB 4.24Å; W14-E31 HydrophobicContact CE3-CG 3.46Å; W14-E31 VanDerWaalsContact CE3-CG 3.46Å; W14-E31 HydrophobicContact CZ3-CG 3.6Å; M15-E31 CarbonylContact O-C 3.45Å; M15-E31 WeakPolarHBondContact O-CA 3.45Å; M15-E31 WeakPolarHBondContact O-CB 3.44Å; S16-E31 WeakPolarHBondContact OG-CB 3.25Å; W28-E31 HydrophobicContact CH2-CG 4.4Å; W28-E31 HydrophobicContact CZ2-CB 3.79Å; W28-E31 HydrophobicContact CZ2-CG 3.63Å; E31-I39 VanDerWaalsContact O-CA 3.31Å; E31-I39 WeakPolarHBondContact O-CA 3.43Å; E31-I39 VanDerWaalsContact O-CG2 3.22Å; E31-I39 WeakPolarHBondContact O-CG2 3.44Å; E31-N40 HydrophobicContact CG-CB 4.1Å; E31-N40 PolarHBondContact N-O 2.72Å; E31-N40 PolarHBondContact O-N 2.79Å; E31-N40 PolarHBondContact OE1-ND2 3.19Å; E31-N40 VanDerWaalsContact OE1-ND2 3.1Å
32I98Very high96.8Very high1 Ų159.6 Ų59.61%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-128.3136.9178.4-175.1160.8000110.3W14 M15 I39 I51 R53 L60W14-I32 WeakPolarHBondContact CA-O 3.02Å; M15-I32 HydrophobicContact CB-CG2 4.4Å; M15-I32 PolarHBondContact N-O 2.78Å; M15-I32 VanDerWaalsContact N-O 3.08Å; M15-I32 PolarHBondContact O-N 2.92Å; I32-I39 HydrophobicContact CB-CG1 4.4Å; I32-I39 HydrophobicContact CB-CG2 4.47Å; I32-I39 HydrophobicContact CD1-CD1 3.89Å; I32-I39 HydrophobicContact CD1-CG1 3.95Å; I32-I39 HydrophobicContact CG1-CD1 4.47Å; I32-I39 HydrophobicContact CG1-CG1 3.97Å; I32-I51 HydrophobicContact CB-CG2 3.83Å; I32-I51 HydrophobicContact CD1-CG2 4.48Å; I32-I51 HydrophobicContact CG2-CG2 3.6Å; I32-R53 HydrophobicContact CD1-CG 3.97Å; I32-R53 HydrophobicContact CG1-CG 4.41Å; I32-R53 HydrophobicContact CG2-CB 4.47Å; I32-L60 HydrophobicContact CG2-CD1 3.51Å
33N96.5Very high96.8Very high13 Ų1360 Ų607%0.0736%0.357CS..  trans-78.1167.517978.8-28000112.2W14 D35 S36 S37 T38 R53W14-N33 HydrophobicContact CD2-CB 3.68Å; W14-N33 HydrophobicContact CE3-CB 3.97Å; W14-N33 HydrophobicContact CG-CB 4.39Å; W14-N33 HydrophobicContact CH2-CB 3.72Å; W14-N33 HydrophobicContact CZ2-CB 3.38Å; W14-N33 HydrophobicContact CZ3-CB 3.99Å; N33-D35 VanDerWaalsContact CG-OD1 3.23Å; N33-D35 PolarHBondContact ND2-OD1 3Å; N33-D35 PolarHBondContact O-N 2.02Å; N33-D35 PolarHBondContact OD1-OD1 2.93Å; N33-S36 PolarHBondContact O-N 2.85Å; N33-S36 VanDerWaalsContact OD1-C 3.3Å; N33-S36 VanDerWaalsContact OD1-CA 3.24Å; N33-S36 WeakPolarHBondContact OD1-CA 3.01Å; N33-S36 PolarHBondContact OD1-N 2.86Å; N33-S37 PolarHBondContact ND2-OG 2.87Å; N33-S37 PolarHBondContact OD1-N 2.9Å; N33-T38 PolarHBondContact N-O 3.35Å; N33-T38 VanDerWaalsContact N-O 3.12Å; N33-T38 PolarHBondContact OD1-N 3.03Å; N33-T38 PolarHBondContact OD1-O 3.2Å; N33-T38 VanDerWaalsContact OD1-O 3.1Å; N33-R53 WeakPolarHBondContact O-CD 3.49Å; N33-R53 PolarHBondContact O-NH1 2.8Å
34P96.5Very high96.7Very high34 Ų3459.7 Ų59.722%0.22134%0.34CS..THydrogen-bonded Turntrans-47.7-46.5-178.8-39.243.6000116.8S11 R12 R53 N55S11-P34 VanDerWaalsContact O-CB 3.31Å; S11-P34 WeakPolarHBondContact O-CB 3.35Å; R12-P34 WeakPolarHBondContact O-CG 3.3Å; P34-R53 VanDerWaalsContact CA-NH1 3.3Å; P34-N55 PolarHBondContact O-ND2 2.82Å
35D96.1Very high96.6Very high110 Ų11052.8 Ų52.859%0.58831%0.31SS*.THydrogen-bonded Turntrans-94.63.9-174.966.88000113.3N33 S37N33-D35 VanDerWaalsContact CG-OD1 3.23Å; N33-D35 PolarHBondContact ND2-OD1 3Å; N33-D35 PolarHBondContact O-N 2.02Å; N33-D35 PolarHBondContact OD1-OD1 2.93Å; D35-S37 PolarHBondContact O-N 3.28Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.3Å; D35-S37 PolarHBondContact OD1-N 3.46Å; D35-S37 PolarHBondContact OD1-OG 3.24Å; D35-S37 PolarHBondContact OD2-OG 3.14Å
36S97.2Very high96.5Very high52 Ų5256.2 Ų56.236%0.36431%0.31SS..SBendtrans62.511.4-178-46.80000115.4N33 T38 R53N33-S36 PolarHBondContact O-N 2.85Å; N33-S36 VanDerWaalsContact OD1-C 3.3Å; N33-S36 VanDerWaalsContact OD1-CA 3.24Å; N33-S36 WeakPolarHBondContact OD1-CA 3.01Å; N33-S36 PolarHBondContact OD1-N 2.86Å; S36-T38 VanDerWaalsContact C-N 3.3Å; S36-R53 WeakPolarHBondContact OG-CD 3.44Å; S36-R53 VanDerWaalsContact OG-CG 3.25Å; S36-R53 WeakPolarHBondContact OG-CG 3.49Å
37S97.5Very high96.4Very high87 Ų8757.4 Ų57.461%0.60832%0.316SS*.SBendtrans-72.8-23.6177.663.40000113.2N33 D35N33-S37 PolarHBondContact ND2-OG 2.87Å; N33-S37 PolarHBondContact OD1-N 2.9Å; D35-S37 PolarHBondContact O-N 3.28Å; D35-S37 VanDerWaalsContact OD1-CB 3.25Å; D35-S37 WeakPolarHBondContact OD1-CB 3.3Å; D35-S37 PolarHBondContact OD1-N 3.46Å; D35-S37 PolarHBondContact OD1-OG 3.24Å; D35-S37 PolarHBondContact OD2-OG 3.14Å
38T97.9Very high96.4Very high59 Ų5955.7 Ų55.736%0.36231%0.308SS..  trans-128.4130.8-178.3-54.90000110.7W14 N33 S36W14-T38 HydrophobicContact CH2-CG2 3.95Å; N33-T38 PolarHBondContact N-O 3.35Å; N33-T38 VanDerWaalsContact N-O 3.12Å; N33-T38 PolarHBondContact OD1-N 3.03Å; N33-T38 PolarHBondContact OD1-O 3.2Å; N33-T38 VanDerWaalsContact OD1-O 3.1Å; S36-T38 VanDerWaalsContact C-N 3.3Å
39I97.9Very high96.3Very high61 Ų6151.6 Ų51.631%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-133.5120.9173.5-44.8177.9000108.7E31 I32 Y41 I51E31-I39 VanDerWaalsContact O-CA 3.31Å; E31-I39 WeakPolarHBondContact O-CA 3.43Å; E31-I39 VanDerWaalsContact O-CG2 3.22Å; E31-I39 WeakPolarHBondContact O-CG2 3.44Å; I32-I39 HydrophobicContact CB-CG1 4.4Å; I32-I39 HydrophobicContact CB-CG2 4.47Å; I32-I39 HydrophobicContact CD1-CD1 3.89Å; I32-I39 HydrophobicContact CD1-CG1 3.95Å; I32-I39 HydrophobicContact CG1-CD1 4.47Å; I32-I39 HydrophobicContact CG1-CG1 3.97Å; I39-Y41 HydrophobicContact CB-CE2 3.86Å; I39-Y41 HydrophobicContact CG2-CD2 4Å; I39-Y41 HydrophobicContact CG2-CE1 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.26Å; I39-Y41 VanDerWaalsContact CG2-CZ 3.47Å; I39-I51 HydrophobicContact CG2-CB 4.18Å; I39-I51 HydrophobicContact CG2-CD1 4.47Å
40N97.4Very high96.3Very high67 Ų6755.4 Ų55.436%0.35831%0.312SS..EExtended strand (participates in β ladder)trans-100.5146.6174.9-59.2-40.4000109.5W28 G30 E31W28-N40 HydrophobicContact CH2-CB 3.75Å; W28-N40 HydrophobicContact CZ2-CB 4.4Å; G30-N40 CarbonylContact C-O 3.59Å; G30-N40 WeakPolarHBondContact CA-O 3.42Å; E31-N40 HydrophobicContact CG-CB 4.1Å; E31-N40 PolarHBondContact N-O 2.72Å; E31-N40 PolarHBondContact O-N 2.79Å; E31-N40 PolarHBondContact OE1-ND2 3.19Å; E31-N40 VanDerWaalsContact OE1-ND2 3.1Å
41Y97.8Very high96.3Very high44 Ų4455.5 Ų55.517%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-137.4152.9180-69.9-87.9000111I29 I39 K46 F49 I51I29-Y41 WeakPolarHBondContact O-CA 3.43Å; I39-Y41 HydrophobicContact CB-CE2 3.86Å; I39-Y41 HydrophobicContact CG2-CD2 4Å; I39-Y41 HydrophobicContact CG2-CE1 4.36Å; I39-Y41 HydrophobicContact CG2-CE2 3.26Å; I39-Y41 VanDerWaalsContact CG2-CZ 3.47Å; Y41-K46 HydrophobicContact CD2-CD 4.41Å; Y41-K46 HydrophobicContact CD2-CG 3.94Å; Y41-K46 HydrophobicContact CG-CB 4.15Å; Y41-K46 HydrophobicContact CG-CG 3.99Å; Y41-F49 WeakPolarHBondContact CE1-O 3.4Å; Y41-I51 HydrophobicContact CD1-CD1 4.33Å; Y41-I51 HydrophobicContact CE1-CB 4.47Å; Y41-I51 HydrophobicContact CE1-CD1 3.83Å; Y41-I51 HydrophobicContact CE1-CG1 3.83Å; Y41-I51 PolarHBondContact OH-N 3.28Å
42T96.9Very high96.4Very high30 Ų3055.7 Ų55.718%0.18432%0.319CS..  trans-64.2125158.2-68.60000108.8W28 I29 S44 L45 K46W28-T42 VanDerWaalsContact CE3-OG1 3.29Å; W28-T42 WeakPolarHBondContact O-CB 3.46Å; W28-T42 PolarHBondContact O-OG1 2.75Å; I29-T42 PolarHBondContact O-N 2.84Å; T42-S44 VanDerWaalsContact C-N 3.29Å; T42-S44 WeakPolarHBondContact CG2-OG 3.36Å; T42-S44 PolarHBondContact O-N 3.4Å; T42-S44 VanDerWaalsContact O-N 3.15Å; T42-L45 HydrophobicContact CG2-CD1 4.31Å; T42-L45 HydrophobicContact CG2-CG 4.13Å; T42-L45 PolarHBondContact O-N 3.5Å; T42-K46 PolarHBondContact O-N 2.9Å
43P95.4Very high96.4Very high117 Ų11756.8 Ų56.876%0.7632%0.323SS*.THydrogen-bonded Turntrans-54.3-39.1-171.3-3136.3000114.9L45P43-L45 PolarHBondContact O-N 3.22Å
44S92.7Very high96.4Very high82 Ų8258.3 Ų58.357%0.57333%0.331SS*.THydrogen-bonded Turntrans-68.5-16.8178.854.90000114.3T42T42-S44 VanDerWaalsContact C-N 3.29Å; T42-S44 WeakPolarHBondContact CG2-OG 3.36Å; T42-S44 PolarHBondContact O-N 3.4Å; T42-S44 VanDerWaalsContact O-N 3.15Å
45L93.9Very high96.5Very high3 Ų359.5 Ų59.52%0.01634%0.335CS..THydrogen-bonded Turntrans-110.7-13.6-172.1-56.9-173.1000113.4E27 I29 T42 P43 D47 K48 F49E27-L45 HydrophobicContact CG-CD1 4.24Å; I29-L45 HydrophobicContact CB-CD1 4.47Å; I29-L45 HydrophobicContact CG1-CD1 4.03Å; T42-L45 HydrophobicContact CG2-CD1 4.31Å; T42-L45 HydrophobicContact CG2-CG 4.13Å; T42-L45 PolarHBondContact O-N 3.5Å; P43-L45 PolarHBondContact O-N 3.22Å; L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 2.86Å; L45-K48 PolarHBondContact O-N 2.61Å; L45-F49 HydrophobicContact CB-CD2 3.92Å; L45-F49 HydrophobicContact CB-CE2 4.12Å; L45-F49 HydrophobicContact CD1-CE2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.2Å
46K92.9Very high96.5Very high128 Ų12858.8 Ų58.856%0.55735%0.345SS*.THydrogen-bonded Turntrans-55.9-36-175.7-174.6178.4179.4-1790113.9Y41 T42 K48Y41-K46 HydrophobicContact CD2-CD 4.41Å; Y41-K46 HydrophobicContact CD2-CG 3.94Å; Y41-K46 HydrophobicContact CG-CB 4.15Å; Y41-K46 HydrophobicContact CG-CG 3.99Å; T42-K46 PolarHBondContact O-N 2.9Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.21Å
47D93.9Very high96.5Very high124 Ų12462.7 Ų62.766%0.66336%0.355SS*.THydrogen-bonded Turntrans-81.7-9.9-178-67.4-27.6000113.6L45L45-D47 VanDerWaalsContact C-N 3.27Å; L45-D47 PolarHBondContact O-N 2.86Å
48K95.6Very high96.4Very high26 Ų2661.5 Ų61.511%0.11334%0.342CS..THydrogen-bonded Turntrans-99.3-33.6-175.9-61-176.6173.8-165.30112.4L45 K46 S65 E70 D71L45-K48 PolarHBondContact O-N 2.61Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.21Å; K48-S65 PolarHBondContact O-N 3.12Å; K48-E70 IonicContact NZ-OE1 2.79Å; K48-E70 PolarHBondContact NZ-OE1 3.34Å; K48-D71 WeakPolarHBondContact CD-OD2 3.33Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 3.08Å; K48-D71 IonicContact NZ-OD2 2.72Å; K48-D71 PolarHBondContact NZ-OD2 2.81Å
49F96.4Very high96.4Very high0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans-123.7142-170.6-56-67.2000112.4I29 Y41 L45 L62 Q63 M64 V67 D71 Y75I29-F49 HydrophobicContact CG2-CB 4.08Å; I29-F49 HydrophobicContact CG2-CD2 3.76Å; I29-F49 HydrophobicContact CG2-CG 4.08Å; Y41-F49 WeakPolarHBondContact CE1-O 3.4Å; L45-F49 HydrophobicContact CB-CD2 3.92Å; L45-F49 HydrophobicContact CB-CE2 4.12Å; L45-F49 HydrophobicContact CD1-CE2 4.45Å; L45-F49 HydrophobicContact CD2-CE2 4.25Å; L45-F49 WeakPolarHBondContact O-CD2 3.45Å; L45-F49 PolarHBondContact O-N 3.2Å; F49-L62 HydrophobicContact CB-CD1 3.78Å; F49-L62 HydrophobicContact CB-CG 4.45Å; F49-L62 HydrophobicContact CD1-CD1 4.35Å; F49-L62 HydrophobicContact CD1-CD2 4.16Å; F49-L62 HydrophobicContact CD1-CG 4.16Å; F49-L62 HydrophobicContact CG-CD1 4.27Å; F49-Q63 CarbonylContact C-O 3.4Å; F49-Q63 WeakPolarHBondContact CA-O 3.41Å; F49-M64 HydrophobicContact CD1-CB 4.39Å; F49-M64 HydrophobicContact CD1-CG 3.78Å; F49-M64 HydrophobicContact CE1-CB 4.42Å; F49-M64 HydrophobicContact CE1-CE 4.06Å; F49-M64 HydrophobicContact CE1-CG 3.78Å; F49-M64 HydrophobicContact CE1-SD 4.3Å; F49-V67 HydrophobicContact CE1-CG1 3.72Å; F49-V67 HydrophobicContact CZ-CG1 4.16Å; F49-D71 HydrophobicContact CZ-CB 4.48Å; F49-Y75 AromaticContact CE1-CE1 3.96Å; F49-Y75 HydrophobicContact CE1-CE1 3.96Å; F49-Y75 AromaticContact CZ-CE1 3.97Å; F49-Y75 HydrophobicContact CZ-CE1 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.4Å
50I97Very high96.4Very high80 Ų8056.5 Ų56.541%0.4131%0.314SS..EExtended strand (participates in β ladder)trans-122.3119.1172.6-56.6169.9000107.5Q63I50-Q63 HydrophobicContact CB-CB 4.21Å; I50-Q63 PolarHBondContact N-O 3.06Å; I50-Q63 PolarHBondContact O-N 3.38Å
51I97.9Very high96.5Very high2 Ų256.4 Ų56.41%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-90.7134.8175.3-59172.4000108.6I32 I39 Y41 L60 Y61 L62I32-I51 HydrophobicContact CB-CG2 3.83Å; I32-I51 HydrophobicContact CD1-CG2 4.48Å; I32-I51 HydrophobicContact CG2-CG2 3.6Å; I39-I51 HydrophobicContact CG2-CB 4.18Å; I39-I51 HydrophobicContact CG2-CD1 4.47Å; Y41-I51 HydrophobicContact CD1-CD1 4.33Å; Y41-I51 HydrophobicContact CE1-CB 4.47Å; Y41-I51 HydrophobicContact CE1-CD1 3.83Å; Y41-I51 HydrophobicContact CE1-CG1 3.83Å; Y41-I51 PolarHBondContact OH-N 3.28Å; I51-L60 HydrophobicContact CG2-CD1 4Å; I51-Y61 WeakPolarHBondContact CA-O 3.47Å; I51-L62 HydrophobicContact CG1-CD1 3.67Å
52S98.1Very high96.5Very high49 Ų4954.4 Ų54.434%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-145.9167.3171.263.10000110.2Y61S52-Y61 PolarHBondContact N-O 3.1Å; S52-Y61 VanDerWaalsContact N-O 3.13Å; S52-Y61 PolarHBondContact O-N 2.93Å
53R98.1Very high96.5Very high25 Ų2558.2 Ų58.29%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-143.7153.6-177.563.2-176.1-66.21593.3111.4F10 Y13 I32 N33 P34 S36 N55 T59 L60F10-R53 VanDerWaalsContact CD1-NH2 3.33Å; F10-R53 HydrophobicContact CE1-CB 4.18Å; F10-R53 VanDerWaalsContact CE1-NH2 3.27Å; F10-R53 HydrophobicContact CZ-CB 4.12Å; F10-R53 PolarHBondContact O-NH2 3.42Å; Y13-R53 PolarHBondContact O-NH1 3.15Å; I32-R53 HydrophobicContact CD1-CG 3.97Å; I32-R53 HydrophobicContact CG1-CG 4.41Å; I32-R53 HydrophobicContact CG2-CB 4.47Å; N33-R53 WeakPolarHBondContact O-CD 3.49Å; N33-R53 PolarHBondContact O-NH1 2.8Å; P34-R53 VanDerWaalsContact CA-NH1 3.3Å; S36-R53 WeakPolarHBondContact OG-CD 3.44Å; S36-R53 VanDerWaalsContact OG-CG 3.25Å; S36-R53 WeakPolarHBondContact OG-CG 3.49Å; R53-N55 PolarHBondContact NE-OD1 2.92Å; R53-N55 PolarHBondContact NH2-OD1 2.71Å; R53-T59 CarbonylContact C-O 3.56Å; R53-T59 WeakPolarHBondContact CA-O 3.34Å; R53-L60 HydrophobicContact CB-CD1 4.19Å
54D97.9Very high96.5Very high45 Ų4554.9 Ų54.924%0.24129%0.292CS..EExtended strand (participates in β ladder)trans-126.9107.6171.1-177.2-21.4000108.5A56 K57 N58 T59 Y61D54-A56 WeakPolarHBondContact OD1-CB 3.39Å; D54-A56 PolarHBondContact OD1-N 3.5Å; D54-K57 HydrophobicContact CB-CB 4.24Å; D54-K57 PolarHBondContact O-N 2.87Å; D54-K57 PolarHBondContact OD1-N 2.77Å; D54-K57 VanDerWaalsContact OD1-N 3.15Å; D54-K57 WeakPolarHBondContact OD2-CD 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.39Å; D54-K57 WeakPolarHBondContact OD2-CG 3.44Å; D54-K57 IonicContact OD2-NZ 2.72Å; D54-K57 PolarHBondContact OD2-NZ 3.13Å; D54-N58 PolarHBondContact O-N 3.2Å; D54-T59 PolarHBondContact N-O 3.08Å; D54-T59 PolarHBondContact O-N 2.92Å; D54-Y61 HydrophobicContact CB-CE2 3.8Å
55N97.1Very high96.4Very high58 Ų5854.1 Ų54.131%0.3129%0.287SS..THydrogen-bonded Turntrans-71.9-28.9-178.2-70.8-16.8000112.4F10 P34 R53 K57 N58F10-N55 WeakPolarHBondContact CE1-OD1 3.35Å; P34-N55 PolarHBondContact O-ND2 2.82Å; R53-N55 PolarHBondContact NE-OD1 2.92Å; R53-N55 PolarHBondContact NH2-OD1 2.71Å; N55-K57 PolarHBondContact O-N 2.81Å; N55-N58 PolarHBondContact O-N 2.89Å; N55-N58 PolarHBondContact O-OD1 2.83Å
56A96.3Very high96.2Very high96 Ų9660.8 Ų60.879%0.79332%0.316SS*.THydrogen-bonded Turntrans-69.6-27.917700000111.6D54D54-A56 WeakPolarHBondContact OD1-CB 3.39Å; D54-A56 PolarHBondContact OD1-N 3.5Å
57K97.1Very high96.3Very high134 Ų13456.9 Ų56.958%0.58330%0.302SS*.THydrogen-bonded Turntrans-100.62.3177.5-61.1-178.1-167.2162.40114D54 N55 T59D54-K57 HydrophobicContact CB-CB 4.24Å; D54-K57 PolarHBondContact O-N 2.87Å; D54-K57 PolarHBondContact OD1-N 2.77Å; D54-K57 VanDerWaalsContact OD1-N 3.15Å; D54-K57 WeakPolarHBondContact OD2-CD 3.29Å; D54-K57 WeakPolarHBondContact OD2-CE 3.39Å; D54-K57 WeakPolarHBondContact OD2-CG 3.44Å; D54-K57 IonicContact OD2-NZ 2.72Å; D54-K57 PolarHBondContact OD2-NZ 3.13Å; N55-K57 PolarHBondContact O-N 2.81Å; K57-T59 PolarHBondContact O-N 2.89Å; K57-T59 VanDerWaalsContact O-N 3.12Å; K57-T59 PolarHBondContact O-OG1 2.99Å
58N96.4Very high96.3Very high62 Ų6258.4 Ų58.433%0.33230%0.299SS..THydrogen-bonded Turntrans46.939.8-171.4-61.8-36.1000113A5 F10 D54 N55A5-N58 PolarHBondContact N-O 3.25Å; F10-N58 HydrophobicContact CB-CB 3.91Å; F10-N58 HydrophobicContact CD1-CB 4.39Å; F10-N58 HydrophobicContact CG-CB 4.17Å; D54-N58 PolarHBondContact O-N 3.2Å; N55-N58 PolarHBondContact O-N 2.89Å; N55-N58 PolarHBondContact O-OD1 2.83Å
59T97.8Very high96.2Very high15 Ų1560.6 Ų60.69%0.09232%0.317CS..EExtended strand (participates in β ladder)trans-122.5130-169.8-590000111.6C3 R53 D54 K57 Y61C3-T59 CarbonylContact O-C 3.59Å; C3-T59 WeakPolarHBondContact O-CA 3.38Å; R53-T59 CarbonylContact C-O 3.56Å; R53-T59 WeakPolarHBondContact CA-O 3.34Å; D54-T59 PolarHBondContact N-O 3.08Å; D54-T59 PolarHBondContact O-N 2.92Å; K57-T59 PolarHBondContact O-N 2.89Å; K57-T59 VanDerWaalsContact O-N 3.12Å; K57-T59 PolarHBondContact O-OG1 2.99Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.59Å; T59-Y61 HydrophobicContact CG2-CE2 3.77Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.33Å
60L98.1Very high96.1Very high0 Ų066 Ų660%034%0.342CS..EExtended strand (participates in β ladder)trans-96.3141.6170.8-172.671.3000110.1S2 C3 F10 M15 W17 I32 I51 R53 C77S2-L60 CarbonylContact C-O 3.59Å; S2-L60 VanDerWaalsContact CA-O 3.29Å; S2-L60 WeakPolarHBondContact CA-O 3.49Å; C3-L60 HydrophobicContact CB-CB 4.47Å; C3-L60 PolarHBondContact N-O 3.31Å; C3-L60 PolarHBondContact O-N 2.98Å; F10-L60 HydrophobicContact CE2-CB 4.16Å; F10-L60 HydrophobicContact CZ-CB 4.1Å; M15-L60 HydrophobicContact CB-CD1 3.74Å; M15-L60 HydrophobicContact CB-CD2 3.9Å; M15-L60 HydrophobicContact CB-CG 4.33Å; W17-L60 HydrophobicContact CD2-CD2 4.34Å; W17-L60 HydrophobicContact CG-CD2 4.26Å; W17-L60 HydrophobicContact CZ2-CD2 4.3Å; W17-L60 HydrophobicContact CZ2-CG 4.42Å; W17-L60 VanDerWaalsContact NE1-CG 3.34Å; I32-L60 HydrophobicContact CG2-CD1 3.51Å; I51-L60 HydrophobicContact CG2-CD1 4Å; R53-L60 HydrophobicContact CB-CD1 4.19Å; L60-C77 HydrophobicContact CD2-CB 4.07Å
61Y98.4Very high96Very high65 Ų6562.1 Ų62.126%0.25532%0.323SS..EExtended strand (participates in β ladder)trans-123.8148.2179.3-56.5-84.8000111.7L1 W17 I51 S52 D54 T59L1-Y61 CarbonylContact O-C 3.55Å; L1-Y61 VanDerWaalsContact O-CA 3.28Å; L1-Y61 WeakPolarHBondContact O-CA 3.28Å; W17-Y61 PolarHBondContact NE1-O 2.93Å; I51-Y61 WeakPolarHBondContact CA-O 3.47Å; S52-Y61 PolarHBondContact N-O 3.1Å; S52-Y61 VanDerWaalsContact N-O 3.13Å; S52-Y61 PolarHBondContact O-N 2.93Å; D54-Y61 HydrophobicContact CB-CE2 3.8Å; T59-Y61 HydrophobicContact CG2-CD1 4.21Å; T59-Y61 HydrophobicContact CG2-CD2 4.38Å; T59-Y61 HydrophobicContact CG2-CE1 3.59Å; T59-Y61 HydrophobicContact CG2-CE2 3.77Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.33Å
62L98.2Very high95.9Very high1 Ų163.5 Ų63.51%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-129103.5169.5-169.868.8000108.1L1 W17 I29 F49 I51 M64 Y75L1-L62 HydrophobicContact CB-CB 4.25Å; L1-L62 HydrophobicContact CD1-CD2 4.48Å; L1-L62 PolarHBondContact N-O 3.42Å; L1-L62 PolarHBondContact O-N 2.8Å; W17-L62 HydrophobicContact CB-CD1 4.27Å; W17-L62 HydrophobicContact CB-CD2 4.34Å; W17-L62 HydrophobicContact CD2-CB 3.85Å; W17-L62 HydrophobicContact CD2-CD2 3.97Å; W17-L62 HydrophobicContact CD2-CG 4.35Å; W17-L62 HydrophobicContact CE3-CB 4.47Å; W17-L62 HydrophobicContact CE3-CD2 4.12Å; W17-L62 HydrophobicContact CG-CB 4.13Å; W17-L62 HydrophobicContact CG-CD1 3.94Å; W17-L62 HydrophobicContact CG-CD2 4.06Å; W17-L62 HydrophobicContact CG-CG 4.29Å; W17-L62 HydrophobicContact CZ2-CB 3.95Å; I29-L62 HydrophobicContact CD1-CD2 3.96Å; I29-L62 HydrophobicContact CG2-CD1 4.3Å; F49-L62 HydrophobicContact CB-CD1 3.78Å; F49-L62 HydrophobicContact CB-CG 4.45Å; F49-L62 HydrophobicContact CD1-CD1 4.35Å; F49-L62 HydrophobicContact CD1-CD2 4.16Å; F49-L62 HydrophobicContact CD1-CG 4.16Å; F49-L62 HydrophobicContact CG-CD1 4.27Å; I51-L62 HydrophobicContact CG1-CD1 3.67Å; L62-M64 HydrophobicContact CD2-CE 3.7Å; L62-M64 HydrophobicContact CG-CE 4.43Å; L62-Y75 HydrophobicContact CD2-CD1 3.72Å; L62-Y75 HydrophobicContact CD2-CE1 4.09Å
63Q97.7Very high95.9Very high111 Ų11161.4 Ų61.452%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-82.5133.2170.8176.9177.5-15.400109.2F49 I50F49-Q63 CarbonylContact C-O 3.4Å; F49-Q63 WeakPolarHBondContact CA-O 3.41Å; I50-Q63 HydrophobicContact CB-CB 4.21Å; I50-Q63 PolarHBondContact N-O 3.06Å; I50-Q63 PolarHBondContact O-N 3.38Å
64M95.2Very high95.9Very high47 Ų4763.3 Ų63.323%0.23233%0.328CS..EExtended strand (participates in β ladder)trans-113.7115.3-177.2-62.7-177.516900107.9L1 F49 L62 V67 Y75 V91L1-M64 HydrophobicContact CD1-CE 3.45Å; L1-M64 VanDerWaalsContact CD1-CE 3.45Å; L1-M64 HydrophobicContact CG-CE 3.8Å; F49-M64 HydrophobicContact CD1-CB 4.39Å; F49-M64 HydrophobicContact CD1-CG 3.78Å; F49-M64 HydrophobicContact CE1-CB 4.42Å; F49-M64 HydrophobicContact CE1-CE 4.06Å; F49-M64 HydrophobicContact CE1-CG 3.78Å; F49-M64 HydrophobicContact CE1-SD 4.3Å; L62-M64 HydrophobicContact CD2-CE 3.7Å; L62-M64 HydrophobicContact CG-CE 4.43Å; M64-V67 HydrophobicContact CB-CG1 3.78Å; M64-V67 HydrophobicContact CG-CG1 4.29Å; M64-Y75 HydrophobicContact CE-CD1 3.53Å; M64-Y75 HydrophobicContact CE-CD2 4.02Å; M64-Y75 HydrophobicContact CE-CE1 3.38Å; M64-Y75 HydrophobicContact CE-CE2 3.91Å; M64-Y75 HydrophobicContact CE-CG 3.85Å; M64-V91 HydrophobicContact CE-CG2 4.25Å; M64-V91 HydrophobicContact SD-CG1 4.2Å; M64-V91 HydrophobicContact SD-CG2 4.49Å
65S90.5Very high95.9Very high66 Ų6661.2 Ų61.246%0.46232%0.317SS..SBendtrans-115.7-46.1-170.4-56.50000113.1K48K48-S65 PolarHBondContact O-N 3.12Å
66K90.1Very high96Very high143 Ų14360.1 Ų60.162%0.62231%0.309SS*.SBendtrans-117.439.4-175.5-59.8-177.9-173.6168.40111.7
67V93.9Very high95.9Very high45 Ų4556.1 Ų56.127%0.27328%0.275SS..  trans-72.1147.3-179.2-69.10000111.4F49 M64 D71 V93F49-V67 HydrophobicContact CE1-CG1 3.72Å; F49-V67 HydrophobicContact CZ-CG1 4.16Å; M64-V67 HydrophobicContact CB-CG1 3.78Å; M64-V67 HydrophobicContact CG-CG1 4.29Å; V67-D71 WeakPolarHBondContact CA-OD2 3.06Å; V67-D71 HydrophobicContact CB-CB 4.19Å; V67-D71 HydrophobicContact CG1-CB 4.24Å; V67-V93 HydrophobicContact CB-CG2 4.27Å; V67-V93 HydrophobicContact CG2-CG1 4.34Å; V67-V93 HydrophobicContact CG2-CG2 4.1Å
68R94.4Very high95.8Very high157 Ų15751.2 Ų51.259%0.59225%0.253SS*.  trans-125173.5177.2-63.6176.9-178.5-178.1-1.9109.4E70 D71 V93R68-E70 HydrophobicContact CB-CG 3.98Å; R68-E70 PolarHBondContact O-N 2.98Å; R68-E70 VanDerWaalsContact O-N 3.15Å; R68-D71 PolarHBondContact N-OD2 3.03Å; R68-D71 WeakPolarHBondContact O-CB 3.09Å; R68-D71 PolarHBondContact O-N 2.84Å; R68-V93 WeakPolarHBondContact O-CB 3.25Å
69S94.5Very high95.4Very high71 Ų7148.7 Ų48.750%0.49724%0.239SC..G310 helixtrans-54.4-34.4178.3540000113.3D71 T72 V93S69-D71 PolarHBondContact O-N 3.14Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.22Å; S69-T72 PolarHBondContact O-N 2.8Å; S69-T72 VanDerWaalsContact O-N 3.1Å; S69-T72 PolarHBondContact O-OG1 3.05Å; S69-V93 WeakPolarHBondContact CA-O 3.24Å
70E92.8Very high94.4Very high113 Ų11356.5 Ų56.553%0.52827%0.268SS..G310 helixtrans-62.1-18.1174.372-158.8-160.200114.4K48 R68 T72K48-E70 IonicContact NZ-OE1 2.79Å; K48-E70 PolarHBondContact NZ-OE1 3.34Å; R68-E70 HydrophobicContact CB-CG 3.98Å; R68-E70 PolarHBondContact O-N 2.98Å; R68-E70 VanDerWaalsContact O-N 3.15Å; E70-T72 VanDerWaalsContact C-N 3.29Å
71D95.3Very high93.3Very high0 Ų060 Ų600%030%0.297CS..G310 helixtrans-89.36.2177.4-57.4-58000112.4R19 K48 F49 V67 R68 S69 A73 Y75R19-D71 IonicContact CZ-OD1 3.83Å; R19-D71 IonicContact NH1-OD1 2.85Å; R19-D71 PolarHBondContact NH1-OD1 3.15Å; R19-D71 IonicContact NH2-OD1 3.2Å; K48-D71 WeakPolarHBondContact CD-OD2 3.33Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 3.08Å; K48-D71 IonicContact NZ-OD2 2.72Å; K48-D71 PolarHBondContact NZ-OD2 2.81Å; F49-D71 HydrophobicContact CZ-CB 4.48Å; V67-D71 WeakPolarHBondContact CA-OD2 3.06Å; V67-D71 HydrophobicContact CB-CB 4.19Å; V67-D71 HydrophobicContact CG1-CB 4.24Å; R68-D71 PolarHBondContact N-OD2 3.03Å; R68-D71 WeakPolarHBondContact O-CB 3.09Å; R68-D71 PolarHBondContact O-N 2.84Å; S69-D71 PolarHBondContact O-N 3.14Å; D71-A73 PolarHBondContact O-N 3.12Å; D71-Y75 PolarHBondContact O-OH 2.73Å
72T97.1Very high92Very high31 Ų3161.7 Ų61.719%0.1931%0.308CS..  trans-62.9116.7170.2-67.10000110.2P22 S69 E70 V91 T92 V93P22-T72 WeakPolarHBondContact CD-O 3.31Å; S69-T72 VanDerWaalsContact O-CB 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.22Å; S69-T72 PolarHBondContact O-N 2.8Å; S69-T72 VanDerWaalsContact O-N 3.1Å; S69-T72 PolarHBondContact O-OG1 3.05Å; E70-T72 VanDerWaalsContact C-N 3.29Å; T72-V91 WeakPolarHBondContact CA-O 3.47Å; T72-T92 HydrophobicContact CG2-CG2 4.22Å; T72-V93 PolarHBondContact OG1-N 3.39Å; T72-V93 PolarHBondContact OG1-O 2.8Å
73A97.6Very high91.3Very high4 Ų466.7 Ų66.73%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-163.6167.7-173.500000111.9R19 Q20 A21 D71 Y75 V91R19-A73 HydrophobicContact CB-CB 4.03Å; Q20-A73 WeakPolarHBondContact O-CA 3.44Å; Q20-A73 VanDerWaalsContact O-CB 3.31Å; Q20-A73 WeakPolarHBondContact O-CB 3.18Å; A21-A73 HydrophobicContact CB-CB 4.44Å; D71-A73 PolarHBondContact O-N 3.12Å; A73-Y75 HydrophobicContact CB-CD2 4.24Å; A73-Y75 HydrophobicContact CB-CE2 3.71Å; A73-Y75 WeakPolarHBondContact O-CD2 3.32Å; A73-V91 PolarHBondContact N-O 3.01Å; A73-V91 VanDerWaalsContact N-O 3.08Å; A73-V91 PolarHBondContact O-N 2.6Å
74L98Very high90.9Very high65 Ų6567.9 Ų67.934%0.3434%0.336SS..EExtended strand (participates in β ladder)trans-81.3133.7157.5-77.3161000109.1R19 Q20 Y76R19-L74 CarbonylContact C-O 3.5Å; R19-L74 WeakPolarHBondContact CA-O 2.97Å; R19-L74 WeakPolarHBondContact CB-O 3.48Å; Q20-L74 PolarHBondContact N-O 3.15Å; Q20-L74 PolarHBondContact O-N 3.1Å; L74-Y76 HydrophobicContact CB-CE2 3.7Å; L74-Y76 WeakPolarHBondContact CB-OH 3.12Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.46Å
75Y98.3Very high90.8Very high1 Ų170.3 Ų70.30%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-117127.8-179-72.3-99.6000110.4L1 V18 R19 I29 F49 L62 M64 D71 A73 G88 T89 V91L1-Y75 HydrophobicContact CD1-CD1 4.22Å; L1-Y75 HydrophobicContact CD1-CD2 4.31Å; L1-Y75 HydrophobicContact CD1-CG 3.73Å; V18-Y75 CarbonylContact O-C 3.59Å; V18-Y75 WeakPolarHBondContact O-CA 3.42Å; R19-Y75 HydrophobicContact CB-CD1 3.84Å; R19-Y75 HydrophobicContact CB-CE1 3.86Å; R19-Y75 HydrophobicContact CB-CG 4.25Å; R19-Y75 HydrophobicContact CG-CE1 4.49Å; I29-Y75 HydrophobicContact CD1-CD1 3.64Å; I29-Y75 HydrophobicContact CD1-CE1 3.68Å; F49-Y75 AromaticContact CE1-CE1 3.96Å; F49-Y75 HydrophobicContact CE1-CE1 3.96Å; F49-Y75 AromaticContact CZ-CE1 3.97Å; F49-Y75 HydrophobicContact CZ-CE1 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.4Å; L62-Y75 HydrophobicContact CD2-CD1 3.72Å; L62-Y75 HydrophobicContact CD2-CE1 4.09Å; M64-Y75 HydrophobicContact CE-CD1 3.53Å; M64-Y75 HydrophobicContact CE-CD2 4.02Å; M64-Y75 HydrophobicContact CE-CE1 3.38Å; M64-Y75 HydrophobicContact CE-CE2 3.91Å; M64-Y75 HydrophobicContact CE-CG 3.85Å; D71-Y75 PolarHBondContact O-OH 2.73Å; A73-Y75 HydrophobicContact CB-CD2 4.24Å; A73-Y75 HydrophobicContact CB-CE2 3.71Å; A73-Y75 WeakPolarHBondContact O-CD2 3.32Å; Y75-G88 CarbonylContact O-C 3.57Å; Y75-G88 VanDerWaalsContact O-CA 3.25Å; Y75-G88 WeakPolarHBondContact O-CA 3.45Å; Y75-T89 PolarHBondContact N-O 2.73Å; Y75-T89 PolarHBondContact O-N 3.15Å; Y75-V91 HydrophobicContact CD2-CB 3.87Å; Y75-V91 HydrophobicContact CD2-CG2 3.74Å; Y75-V91 HydrophobicContact CE2-CB 3.76Å; Y75-V91 HydrophobicContact CE2-CG2 4.08Å
76Y97.8Very high90.9Very high35 Ų3568.3 Ų68.314%0.13733%0.332CS..EExtended strand (participates in β ladder)trans-121.5136.2-176.2-51-89.8000109.8W17 V18 Q20 L26 L74 W85W17-Y76 WeakPolarHBondContact CA-O 3.46Å; W17-Y76 VanDerWaalsContact CE3-C 3.43Å; V18-Y76 PolarHBondContact N-O 3.41Å; V18-Y76 PolarHBondContact O-N 3.15Å; Q20-Y76 HydrophobicContact CB-CE2 4.04Å; Q20-Y76 PolarHBondContact OE1-OH 3.39Å; L26-Y76 HydrophobicContact CD2-CD2 4.36Å; L26-Y76 HydrophobicContact CD2-CE2 4.2Å; L74-Y76 HydrophobicContact CB-CE2 3.7Å; L74-Y76 WeakPolarHBondContact CB-OH 3.12Å; L74-Y76 WeakPolarHBondContact CD1-OH 3.46Å; Y76-W85 HydrophobicContact CG-CE3 4.2Å; Y76-W85 HydrophobicContact CG-CZ3 4.42Å
77C96.1Very high91.1Very high13 Ų1370.6 Ų70.69%0.08835%0.345CS..EExtended strand (participates in β ladder)trans-81.2146.215853.80000108.9C3 S16 W17 L60 G86C3-C77 HydrophobicContact CB-CB 3.4Å; C3-C77 WeakPolarHBondContact CB-SG 3.36Å; C3-C77 WeakPolarHBondContact SG-CB 3.25Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.95Å; S16-C77 CarbonylContact O-C 3.59Å; S16-C77 WeakPolarHBondContact O-CA 3.32Å; W17-C77 HydrophobicContact CE3-CB 4.47Å; W17-C77 HydrophobicContact CH2-CB 4.26Å; W17-C77 HydrophobicContact CZ2-CB 4.41Å; W17-C77 HydrophobicContact CZ3-CB 4.3Å; L60-C77 HydrophobicContact CD2-CB 4.07Å; C77-G86 PolarHBondContact O-N 3.07Å
78Y93.8Very high91.1Very high30 Ų3069.6 Ų69.612%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-142.4141.3-174.7173.7-117.8000110.9S16 Y80 D83 Y84 W85S16-Y78 PolarHBondContact N-O 3.23Å; S16-Y78 PolarHBondContact O-N 3.49Å; Y78-Y80 AromaticContact CE1-CD2 3.76Å; Y78-Y80 HydrophobicContact CE1-CD2 3.76Å; Y78-Y80 HydrophobicContact CE1-CG 4.2Å; Y78-Y80 VanDerWaalsContact CZ-CA 3.48Å; Y78-Y80 WeakPolarHBondContact OH-CA 3.13Å; Y78-Y80 WeakPolarHBondContact OH-CD2 3.34Å; Y78-D83 WeakPolarHBondContact CE2-OD1 3.01Å; Y78-Y84 WeakPolarHBondContact CA-O 3.22Å; Y78-Y84 VanDerWaalsContact CD2-O 3.3Å; Y78-Y84 WeakPolarHBondContact CD2-O 3.31Å; Y78-W85 AromaticContact CD2-CD1 3.87Å; Y78-W85 AromaticContact CD2-CD2 3.58Å; Y78-W85 HydrophobicContact CD2-CD2 3.58Å; Y78-W85 AromaticContact CD2-CE2 3.28Å; Y78-W85 HydrophobicContact CD2-CE3 4.15Å; Y78-W85 AromaticContact CD2-CG 3.94Å; Y78-W85 HydrophobicContact CD2-CG 3.94Å; Y78-W85 HydrophobicContact CD2-CH2 4.18Å; Y78-W85 AromaticContact CD2-CZ2 3.61Å; Y78-W85 HydrophobicContact CD2-CZ2 3.61Å; Y78-W85 HydrophobicContact CD2-CZ3 4.43Å; Y78-W85 AromaticContact CD2-NE1 3.47Å; Y78-W85 AromaticContact CE2-CD1 3.91Å; Y78-W85 HydrophobicContact CE2-CD2 4.15Å; Y78-W85 AromaticContact CE2-CE2 3.41Å; Y78-W85 VanDerWaalsContact CE2-CE2 3.41Å; Y78-W85 HydrophobicContact CE2-CG 4.43Å; Y78-W85 AromaticContact CE2-CZ2 3.66Å; Y78-W85 HydrophobicContact CE2-CZ2 3.66Å; Y78-W85 AromaticContact CE2-NE1 3.24Å; Y78-W85 HydrophobicContact CG-CD2 4.32Å; Y78-W85 HydrophobicContact CG-CE3 4.46Å; Y78-W85 HydrophobicContact CG-CH2 4.22Å; Y78-W85 HydrophobicContact CG-CZ2 4.07Å; Y78-W85 HydrophobicContact CG-CZ3 4.43Å
79Y88Confident91.2Very high9 Ų965.4 Ų65.44%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-121107.6173.4166.4-136000109.6F8 Y13 M15 A81 M82 D83 Y84F8-Y79 HydrophobicContact CD2-CD1 4.44Å; F8-Y79 HydrophobicContact CD2-CE1 4.28Å; F8-Y79 HydrophobicContact CE1-CD1 4.5Å; F8-Y79 HydrophobicContact CE2-CD1 4.13Å; F8-Y79 HydrophobicContact CE2-CE1 4.37Å; F8-Y79 HydrophobicContact CE2-CG 4.4Å; F8-Y79 HydrophobicContact CZ-CD1 4.17Å; F8-Y79 HydrophobicContact CZ-CG 4.43Å; Y13-Y79 VanDerWaalsContact CB-CE2 3.45Å; Y13-Y79 AromaticContact CD1-CE2 3.63Å; Y13-Y79 HydrophobicContact CD1-CE2 3.63Å; Y13-Y79 AromaticContact CD1-CZ 3.71Å; Y13-Y79 WeakPolarHBondContact CD1-OH 3.44Å; Y13-Y79 HydrophobicContact CD2-CE2 4.2Å; Y13-Y79 AromaticContact CD2-CZ 3.93Å; Y13-Y79 HydrophobicContact CE1-CE2 4.44Å; Y13-Y79 WeakPolarHBondContact CE1-OH 3.19Å; Y13-Y79 HydrophobicContact CG-CD2 4.41Å; Y13-Y79 AromaticContact CG-CE2 3.47Å; Y13-Y79 HydrophobicContact CG-CE2 3.47Å; Y13-Y79 VanDerWaalsContact CG-CE2 3.47Å; Y13-Y79 AromaticContact CG-CZ 3.61Å; M15-Y79 HydrophobicContact SD-CD2 4.34Å; M15-Y79 HydrophobicContact SD-CG 4.37Å; Y79-A81 HydrophobicContact CE2-CB 3.59Å; Y79-A81 PolarHBondContact O-N 2.63Å; Y79-M82 HydrophobicContact CD1-CB 3.76Å; Y79-M82 HydrophobicContact CD1-CG 4.17Å; Y79-M82 HydrophobicContact CD1-SD 4.5Å; Y79-M82 HydrophobicContact CE1-CB 3.39Å; Y79-M82 HydrophobicContact CE1-CG 3.29Å; Y79-M82 HydrophobicContact CE1-SD 3.54Å; Y79-M82 VanDerWaalsContact CE1-SD 3.54Å; Y79-D83 PolarHBondContact O-N 3.03Å; Y79-Y84 HydrophobicContact CD1-CD2 4.13Å; Y79-Y84 PolarHBondContact N-O 3Å; Y79-Y84 PolarHBondContact O-N 2.97Å
80Y75.9Confident91.3Very high180 Ų18066 Ų6671%0.70634%0.34SS*.G310 helixtrans-62.3-42.1-169.5-176.8-87.9000114.1Y78 M82 D83Y78-Y80 AromaticContact CE1-CD2 3.76Å; Y78-Y80 HydrophobicContact CE1-CD2 3.76Å; Y78-Y80 HydrophobicContact CE1-CG 4.2Å; Y78-Y80 VanDerWaalsContact CZ-CA 3.48Å; Y78-Y80 WeakPolarHBondContact OH-CA 3.13Å; Y78-Y80 WeakPolarHBondContact OH-CD2 3.34Å; Y80-M82 PolarHBondContact O-N 3.23Å; Y80-D83 PolarHBondContact O-N 3.31Å
81A75.3Confident91.5Very high72 Ų7261.9 Ų61.960%0.59532%0.322SS*.G310 helixtrans-73.2-13.5-169.100000114.3Y79Y79-A81 HydrophobicContact CE2-CB 3.59Å; Y79-A81 PolarHBondContact O-N 2.63Å
82M72.8Confident91.6Very high102 Ų10267.1 Ų67.150%0.50236%0.355SS..G310 helixtrans-126.313.2174.3-65.5-176.892.300113Y79 Y80 Y84Y79-M82 HydrophobicContact CD1-CB 3.76Å; Y79-M82 HydrophobicContact CD1-CG 4.17Å; Y79-M82 HydrophobicContact CD1-SD 4.5Å; Y79-M82 HydrophobicContact CE1-CB 3.39Å; Y79-M82 HydrophobicContact CE1-CG 3.29Å; Y79-M82 HydrophobicContact CE1-SD 3.54Å; Y79-M82 VanDerWaalsContact CE1-SD 3.54Å; Y80-M82 PolarHBondContact O-N 3.23Å; M82-Y84 HydrophobicContact CB-CD2 3.42Å; M82-Y84 VanDerWaalsContact CB-CD2 3.42Å; M82-Y84 HydrophobicContact CB-CE2 3.68Å; M82-Y84 HydrophobicContact CB-CG 4.5Å; M82-Y84 HydrophobicContact CE-CE2 4.08Å; M82-Y84 HydrophobicContact CG-CD2 4.45Å; M82-Y84 HydrophobicContact CG-CE2 4.44Å; M82-Y84 PolarHBondContact O-N 2.95Å; M82-Y84 VanDerWaalsContact O-N 3.14Å; M82-Y84 HydrophobicContact SD-CD2 4.33Å; M82-Y84 HydrophobicContact SD-CE2 4Å
83D83.5Confident91.4Very high106 Ų10667 Ų6757%0.56735%0.354SS*.THydrogen-bonded Turntrans48.438.7-177.3-162.518.5000113.4Y78 Y79 Y80 W85Y78-D83 WeakPolarHBondContact CE2-OD1 3.01Å; Y79-D83 PolarHBondContact O-N 3.03Å; Y80-D83 PolarHBondContact O-N 3.31Å; D83-W85 PolarHBondContact OD1-NE1 3.19Å
84Y87.7Confident91Very high136 Ų13671.9 Ų71.953%0.53339%0.388SS..EExtended strand (participates in β ladder)trans-89.9123.8179.1-85.5-65000110.8Y78 Y79 M82Y78-Y84 WeakPolarHBondContact CA-O 3.22Å; Y78-Y84 VanDerWaalsContact CD2-O 3.3Å; Y78-Y84 WeakPolarHBondContact CD2-O 3.31Å; Y79-Y84 HydrophobicContact CD1-CD2 4.13Å; Y79-Y84 PolarHBondContact N-O 3Å; Y79-Y84 PolarHBondContact O-N 2.97Å; M82-Y84 HydrophobicContact CB-CD2 3.42Å; M82-Y84 VanDerWaalsContact CB-CD2 3.42Å; M82-Y84 HydrophobicContact CB-CE2 3.68Å; M82-Y84 HydrophobicContact CB-CG 4.5Å; M82-Y84 HydrophobicContact CE-CE2 4.08Å; M82-Y84 HydrophobicContact CG-CD2 4.45Å; M82-Y84 HydrophobicContact CG-CE2 4.44Å; M82-Y84 PolarHBondContact O-N 2.95Å; M82-Y84 VanDerWaalsContact O-N 3.14Å; M82-Y84 HydrophobicContact SD-CD2 4.33Å; M82-Y84 HydrophobicContact SD-CE2 4Å
85W93.4Very high89.9Confident98 Ų9877.1 Ų77.137%0.37143%0.43SS..EExtended strand (participates in β ladder)trans-109136.2176.3-67.280.8000110.9V18 L26 Y76 Y78 D83V18-W85 HydrophobicContact CB-CH2 4.18Å; V18-W85 HydrophobicContact CB-CZ3 3.8Å; V18-W85 HydrophobicContact CG1-CH2 4Å; V18-W85 HydrophobicContact CG1-CZ3 3.87Å; V18-W85 HydrophobicContact CG2-CH2 3.95Å; V18-W85 HydrophobicContact CG2-CZ3 3.94Å; L26-W85 HydrophobicContact CD1-CH2 3.88Å; L26-W85 HydrophobicContact CD1-CZ2 4.4Å; L26-W85 HydrophobicContact CD1-CZ3 4.41Å; L26-W85 HydrophobicContact CD2-CH2 4.47Å; L26-W85 HydrophobicContact CD2-CZ3 4.28Å; Y76-W85 HydrophobicContact CG-CE3 4.2Å; Y76-W85 HydrophobicContact CG-CZ3 4.42Å; Y78-W85 AromaticContact CD2-CD1 3.87Å; Y78-W85 AromaticContact CD2-CD2 3.58Å; Y78-W85 HydrophobicContact CD2-CD2 3.58Å; Y78-W85 AromaticContact CD2-CE2 3.28Å; Y78-W85 HydrophobicContact CD2-CE3 4.15Å; Y78-W85 AromaticContact CD2-CG 3.94Å; Y78-W85 HydrophobicContact CD2-CG 3.94Å; Y78-W85 HydrophobicContact CD2-CH2 4.18Å; Y78-W85 AromaticContact CD2-CZ2 3.61Å; Y78-W85 HydrophobicContact CD2-CZ2 3.61Å; Y78-W85 HydrophobicContact CD2-CZ3 4.43Å; Y78-W85 AromaticContact CD2-NE1 3.47Å; Y78-W85 AromaticContact CE2-CD1 3.91Å; Y78-W85 HydrophobicContact CE2-CD2 4.15Å; Y78-W85 AromaticContact CE2-CE2 3.41Å; Y78-W85 VanDerWaalsContact CE2-CE2 3.41Å; Y78-W85 HydrophobicContact CE2-CG 4.43Å; Y78-W85 AromaticContact CE2-CZ2 3.66Å; Y78-W85 HydrophobicContact CE2-CZ2 3.66Å; Y78-W85 AromaticContact CE2-NE1 3.24Å; Y78-W85 HydrophobicContact CG-CD2 4.32Å; Y78-W85 HydrophobicContact CG-CE3 4.46Å; Y78-W85 HydrophobicContact CG-CH2 4.22Å; Y78-W85 HydrophobicContact CG-CZ2 4.07Å; Y78-W85 HydrophobicContact CG-CZ3 4.43Å; D83-W85 PolarHBondContact OD1-NE1 3.19Å
86G93.1Very high89.5Confident23 Ų2380.9 Ų80.924%0.23745%0.451CS..  trans-65.4159.4162.700000110.9C77 G88C77-G86 PolarHBondContact O-N 3.07Å; G86-G88 PolarHBondContact O-N 3.21Å
87Q93.1Very high89.1Confident191 Ų19183.3 Ų83.389%0.89347%0.467SS*.  trans-61.3-18.1178.9-65.7-64.1-4600113.8
88G94.4Very high88.7Confident25 Ų2587.2 Ų87.226%0.25849%0.488SS..  trans86.6149.1-178.100000113Y75 G86Y75-G88 CarbonylContact O-C 3.57Å; Y75-G88 VanDerWaalsContact O-CA 3.25Å; Y75-G88 WeakPolarHBondContact O-CA 3.45Å; G86-G88 PolarHBondContact O-N 3.21Å
89T97.2Very high88.4Confident68 Ų6890.6 Ų90.642%0.41751%0.51SS..EExtended strand (participates in β ladder)trans-127.4126.5175.1-660000109.3L1 Y75 V91L1-T89 HydrophobicContact CD2-CG2 3.9Å; Y75-T89 PolarHBondContact N-O 2.73Å; Y75-T89 PolarHBondContact O-N 3.15Å; T89-V91 HydrophobicContact CG2-CG2 4.36Å
90S97.2Very high88.4Confident83 Ų8395.7 Ų95.758%0.5854%0.54SS*.EExtended strand (participates in β ladder)trans-76.4128.2173.3-169.10000109.8
91V96.8Very high89.3Confident27 Ų2790.1 Ų90.116%0.16453%0.529CS..EExtended strand (participates in β ladder)trans-122121.8172.4-179.90000107.7L1 M64 T72 A73 Y75 T89 V93L1-V91 HydrophobicContact CD1-CG2 4.07Å; L1-V91 HydrophobicContact CD2-CG2 3.97Å; L1-V91 HydrophobicContact CG-CG2 4.45Å; M64-V91 HydrophobicContact CE-CG2 4.25Å; M64-V91 HydrophobicContact SD-CG1 4.2Å; M64-V91 HydrophobicContact SD-CG2 4.49Å; T72-V91 WeakPolarHBondContact CA-O 3.47Å; A73-V91 PolarHBondContact N-O 3.01Å; A73-V91 VanDerWaalsContact N-O 3.08Å; A73-V91 PolarHBondContact O-N 2.6Å; Y75-V91 HydrophobicContact CD2-CB 3.87Å; Y75-V91 HydrophobicContact CD2-CG2 3.74Å; Y75-V91 HydrophobicContact CE2-CB 3.76Å; Y75-V91 HydrophobicContact CE2-CG2 4.08Å; T89-V91 HydrophobicContact CG2-CG2 4.36Å; V91-V93 HydrophobicContact CG1-CG2 4.25Å
92T96.4Very high90.3Very high111 Ų11191.4 Ų91.468%0.68152%0.524SS*.  trans-109126.7174.3-53.50000109.1T72T72-T92 HydrophobicContact CG2-CG2 4.22Å
93V93.4Very high91.6Very high28 Ų2890.5 Ų90.517%0.1753%0.526CS..  trans-112.8116.5177.2-174.90000107.8V67 R68 S69 T72 V91V67-V93 HydrophobicContact CB-CG2 4.27Å; V67-V93 HydrophobicContact CG2-CG1 4.34Å; V67-V93 HydrophobicContact CG2-CG2 4.1Å; R68-V93 WeakPolarHBondContact O-CB 3.25Å; S69-V93 WeakPolarHBondContact CA-O 3.24Å; T72-V93 PolarHBondContact OG1-N 3.39Å; T72-V93 PolarHBondContact OG1-O 2.8Å; V91-V93 HydrophobicContact CG1-CG2 4.25Å
94S89.1Confident92.3Very high106 Ų10689.3 Ų89.374%0.74152%0.522SS*.  trans-91.3153173.255.80000111
95S75.8Confident92.7Very high175 Ų17585 Ų85100%1.22452%0.521SS*.  trans-72.60171.456.60000112.8

Retrieved 95 of 95 residues in 20.9 ms (Link to these results)

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