A0A096NQ28_PAPAN Loading...

Actin-related protein 2/3 complex subunit

Component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB (A0A663DG30), UniProt , Accession A0A096NQ28, Species PAPAN (Papio anubis, Olive baboon), Gene ARPC1B, Length 372 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
1M75.7Confident91.9Very high95 Ų9562.4 Ų62.447%0.46834%0.342SS..  0134.60-47.9170.9-141.200107.8L324 I356 W357 L362M1-L324 HydrophobicContact CB-CD2 3.91Å; M1-L324 HydrophobicContact SD-CD1 4.12Å; M1-I356 CarbonylContact C-O 3.55Å; M1-I356 WeakPolarHBondContact CA-O 3.41Å; M1-W357 HydrophobicContact CB-CE3 4.3Å; M1-W357 HydrophobicContact CB-CZ3 4.33Å; M1-W357 HydrophobicContact CG-CE3 3.68Å; M1-W357 HydrophobicContact CG-CZ3 3.72Å; M1-W357 HydrophobicContact SD-CE3 4Å; M1-W357 HydrophobicContact SD-CH2 4.23Å; M1-W357 HydrophobicContact SD-CZ3 3.41Å; M1-W357 WeakPolarHBondContact SD-CZ3 3.15Å; M1-L362 HydrophobicContact CE-CD2 3.99Å; M1-L362 HydrophobicContact CG-CD2 4.38Å
2A86.1Confident92.4Very high59 Ų5960 Ų6049%0.48833%0.333SS..EExtended strand (participates in β ladder)trans-135112.917800000109.9S355 I356A2-S355 CarbonylContact O-C 3.57Å; A2-S355 VanDerWaalsContact O-CA 3.31Å; A2-S355 WeakPolarHBondContact O-CA 3.23Å; A2-I356 PolarHBondContact N-O 3.19Å; A2-I356 PolarHBondContact O-N 3.38Å
3Y92.6Very high92.9Very high87 Ų8755.7 Ų55.734%0.34131%0.309SS..EExtended strand (participates in β ladder)trans-94.7139.9177.1-177.6-92.2000110.7L324 H325 D351 G353 M354 S355Y3-L324 HydrophobicContact CD2-CB 4.4Å; Y3-H325 AromaticContact CE2-ND1 3.99Å; Y3-D351 PolarHBondContact OH-OD2 3.42Å; Y3-G353 VanDerWaalsContact OH-CA 3.26Å; Y3-G353 WeakPolarHBondContact OH-CA 3.42Å; Y3-M354 CarbonylContact C-O 3.6Å; Y3-M354 WeakPolarHBondContact CA-O 3.43Å; Y3-S355 VanDerWaalsContact CD2-OG 3.32Å; Y3-S355 WeakPolarHBondContact CD2-OG 3.38Å
4H94.9Very high93.3Very high60 Ų6051.9 Ų51.928%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-136.9124.2170.4-173.970.6000109.5F6 W42 M354H4-F6 AromaticContact CD2-CD1 3.67Å; H4-F6 AromaticContact CD2-CD2 3.86Å; H4-F6 AromaticContact CD2-CE1 3.59Å; H4-F6 AromaticContact CD2-CE2 3.8Å; H4-F6 AromaticContact CD2-CG 3.8Å; H4-F6 AromaticContact CD2-CZ 3.67Å; H4-F6 AromaticContact NE2-CD1 3.72Å; H4-F6 AromaticContact NE2-CE1 3.76Å; H4-W42 AromaticContact CD2-CD1 3.42Å; H4-W42 VanDerWaalsContact CD2-CD1 3.42Å; H4-W42 AromaticContact CD2-CG 3.96Å; H4-W42 AromaticContact CE1-CD1 3.71Å; H4-W42 AromaticContact CG-CD1 3.52Å; H4-W42 AromaticContact ND1-CD1 3.7Å; H4-W42 AromaticContact NE2-CD1 3.52Å; H4-W42 AromaticContact NE2-CG 3.84Å; H4-M354 HydrophobicContact CB-CE 4.43Å; H4-M354 PolarHBondContact N-O 3.34Å; H4-M354 PolarHBondContact O-N 2.8Å
5S95.3Very high93.7Very high61 Ų6148.8 Ų48.843%0.42727%0.272SS..EExtended strand (participates in β ladder)trans-89.9116.1170.3166.50000108.4L7S5-L7 PolarHBondContact OG-O 3.12Å
6F93.1Very high94Very high29 Ų2946.7 Ų46.713%0.12726%0.259CS..SBendtrans-82.2-35.6173.4-75.9-76.3000111.1H4 I11 I23 I25 Y35 W42 G352 M354H4-F6 AromaticContact CD2-CD1 3.67Å; H4-F6 AromaticContact CD2-CD2 3.86Å; H4-F6 AromaticContact CD2-CE1 3.59Å; H4-F6 AromaticContact CD2-CE2 3.8Å; H4-F6 AromaticContact CD2-CG 3.8Å; H4-F6 AromaticContact CD2-CZ 3.67Å; H4-F6 AromaticContact NE2-CD1 3.72Å; H4-F6 AromaticContact NE2-CE1 3.76Å; F6-I11 HydrophobicContact CD2-CD1 4.02Å; F6-I23 HydrophobicContact CE2-CG2 4.49Å; F6-I23 HydrophobicContact CZ-CG2 3.9Å; F6-I25 HydrophobicContact CB-CD1 3.81Å; F6-I25 HydrophobicContact CD1-CD1 4.15Å; F6-I25 HydrophobicContact CD2-CD1 3.96Å; F6-I25 HydrophobicContact CG-CD1 3.72Å; F6-Y35 AromaticContact CD1-CD1 3.81Å; F6-Y35 HydrophobicContact CD1-CD1 3.81Å; F6-Y35 HydrophobicContact CD1-CD2 4.01Å; F6-Y35 AromaticContact CD1-CE1 3.75Å; F6-Y35 HydrophobicContact CD1-CE1 3.75Å; F6-Y35 AromaticContact CD1-CE2 3.98Å; F6-Y35 HydrophobicContact CD1-CE2 3.98Å; F6-Y35 AromaticContact CD1-CG 3.94Å; F6-Y35 HydrophobicContact CD1-CG 3.94Å; F6-Y35 AromaticContact CD1-CZ 3.84Å; F6-Y35 AromaticContact CE1-CD1 3.55Å; F6-Y35 HydrophobicContact CE1-CD1 3.55Å; F6-Y35 AromaticContact CE1-CD2 3.86Å; F6-Y35 HydrophobicContact CE1-CD2 3.86Å; F6-Y35 HydrophobicContact CE1-CE1 4.01Å; F6-Y35 HydrophobicContact CE1-CE2 4.3Å; F6-Y35 AromaticContact CE1-CG 3.46Å; F6-Y35 HydrophobicContact CE1-CG 3.46Å; F6-Y35 VanDerWaalsContact CE1-CG 3.46Å; F6-Y35 HydrophobicContact CZ-CG 4.36Å; F6-W42 HydrophobicContact CE1-CB 3.82Å; F6-W42 HydrophobicContact CE1-CD2 4.22Å; F6-W42 AromaticContact CE1-CG 3.93Å; F6-W42 HydrophobicContact CE1-CG 3.93Å; F6-W42 HydrophobicContact CZ-CB 4.41Å; F6-W42 AromaticContact CZ-CD2 3.96Å; F6-W42 HydrophobicContact CZ-CD2 3.96Å; F6-W42 HydrophobicContact CZ-CE3 4.27Å; F6-W42 HydrophobicContact CZ-CG 4.03Å; F6-G352 PolarHBondContact N-O 3.26Å; F6-M354 HydrophobicContact CD2-CB 4.03Å; F6-M354 HydrophobicContact CE2-CB 3.69Å; F6-M354 HydrophobicContact CE2-CE 3.91Å; F6-M354 HydrophobicContact CE2-CG 4.27Å; F6-M354 HydrophobicContact CZ-CE 4.17Å
7L93.1Very high94.3Very high26 Ų2644.7 Ų44.714%0.13625%0.248CC..  trans-155.1-175.6-179.856.3136.1000110.2S5 E9 I11 I25 P27 G352S5-L7 PolarHBondContact OG-O 3.12Å; L7-E9 VanDerWaalsContact CD1-C 3.48Å; L7-E9 HydrophobicContact CD1-CB 3.62Å; L7-E9 WeakPolarHBondContact CD1-O 3.32Å; L7-E9 WeakPolarHBondContact CD1-OE2 3.35Å; L7-I11 HydrophobicContact CD2-CG1 4.31Å; L7-I25 HydrophobicContact CD2-CD1 4.18Å; L7-P27 HydrophobicContact CD1-CB 3.84Å; L7-P27 HydrophobicContact CD2-CB 3.53Å; L7-P27 HydrophobicContact CG-CB 4.36Å; L7-G352 WeakPolarHBondContact O-CA 3.03Å
8V91.4Very high94.5Very high123 Ų12348.4 Ų48.475%0.74526%0.261SS*.SBendtrans-101.4-30.9178.3-178.30000111.4
9E93.7Very high94.5Very high109 Ų10951.6 Ų51.651%0.50928%0.278SS..SBendtrans-73.4166.2173.8-53.184.8168.600112.1L7 N28 G352L7-E9 VanDerWaalsContact CD1-C 3.48Å; L7-E9 HydrophobicContact CD1-CB 3.62Å; L7-E9 WeakPolarHBondContact CD1-O 3.32Å; L7-E9 WeakPolarHBondContact CD1-OE2 3.35Å; E9-N28 HydrophobicContact CB-CB 4.25Å; E9-G352 WeakPolarHBondContact O-CA 3.37Å; E9-G352 PolarHBondContact O-N 3.12Å; E9-G352 VanDerWaalsContact O-N 3.07Å
10P97Very high94.7Very high36 Ų3653.8 Ų53.823%0.23428%0.282CS..  trans-57.5142.6-179.3-29.736.9000115S12 P27 N28 M350P10-S12 PolarHBondContact O-N 3.35Å; P10-P27 CarbonylContact O-C 3.58Å; P10-N28 HydrophobicContact CB-CB 4.3Å; P10-N28 WeakPolarHBondContact O-CB 3.16Å; P10-N28 PolarHBondContact O-N 3.19Å; P10-N28 VanDerWaalsContact O-N 3.16Å; P10-M350 HydrophobicContact CB-CB 4.31Å; P10-M350 HydrophobicContact CG-CB 4.2Å
11I98.4Very high94.7Very high1 Ų152.9 Ų52.91%0.00528%0.28CS..  trans-82.8108.5154.1-66.9169.8000106.8F6 L7 I25 C26 S330 T348 G349F6-I11 HydrophobicContact CD2-CD1 4.02Å; L7-I11 HydrophobicContact CD2-CG1 4.31Å; I11-I25 HydrophobicContact CD1-CD1 4.3Å; I11-I25 HydrophobicContact CD1-CG2 4.5Å; I11-I25 HydrophobicContact CG1-CD1 4.39Å; I11-I25 HydrophobicContact CG2-CB 4.1Å; I11-I25 HydrophobicContact CG2-CG2 4.2Å; I11-C26 WeakPolarHBondContact CA-O 3.35Å; I11-S330 PolarHBondContact O-OG 2.72Å; I11-T348 HydrophobicContact CD1-CG2 4.28Å; I11-T348 HydrophobicContact CG2-CG2 4.18Å; I11-G349 PolarHBondContact N-O 3.19Å
12S98.1Very high95.8Very high34 Ų3449.9 Ų49.924%0.23827%0.265CS..  trans-68.7-37-176.4-56.20000112.2P10 C26 N28P10-S12 PolarHBondContact O-N 3.35Å; S12-C26 PolarHBondContact N-O 3.28Å; S12-N28 WeakPolarHBondContact OG-CA 3.36Å
13C98.6Very high96.4Very high4 Ų447 Ų473%0.02724%0.241CC..  trans-164.9160.8176.350.40000110.6C26 G57C13-C26 PolarHBondContact O-N 3.3Å; C13-G57 VanDerWaalsContact SG-CA 3.6Å; C13-G57 PolarHBondContact SG-N 2.81Å
14H98.9Very high96.7Very high2 Ų242.9 Ų42.91%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-141.9161.3175.678.3-78.7000113.4W16 I23 A24 I25 Q331 S333 T348H14-W16 AromaticContact CD2-CD1 3.54Å; H14-W16 AromaticContact CD2-NE1 3.46Å; H14-W16 PolarHBondContact CD2-NE1 3.44Å; H14-W16 AromaticContact NE2-CD1 3.86Å; H14-W16 AromaticContact NE2-NE1 3.73Å; H14-I23 HydrophobicContact CB-CD1 4.22Å; H14-I23 HydrophobicContact CB-CG1 4.37Å; H14-A24 CarbonylContact C-O 3.57Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 3.46Å; H14-I25 HydrophobicContact CB-CG2 3.96Å; H14-Q331 VanDerWaalsContact ND1-CD 3.27Å; H14-Q331 PolarHBondContact ND1-OE1 3.1Å; H14-Q331 PolarHBondContact O-NE2 3.19Å; H14-S333 PolarHBondContact NE2-OG 2.96Å; H14-T348 HydrophobicContact CB-CG2 4.12Å; H14-T348 PolarHBondContact ND1-OG1 3.16Å; H14-T348 VanDerWaalsContact ND1-OG1 3.07Å
15A98.9Very high96.9Very high6 Ų640 Ų405%0.0521%0.212CC..EExtended strand (participates in β ladder)trans-147.2154.1167.100000110.8A24 I58 W60A15-A24 PolarHBondContact N-O 2.99Å; A15-A24 PolarHBondContact O-N 3.49Å; A15-I58 HydrophobicContact CB-CB 4.34Å; A15-I58 HydrophobicContact CB-CG2 3.74Å; A15-W60 HydrophobicContact CB-CB 3.91Å
16W98.8Very high97Very high15 Ų1537.1 Ų37.16%0.05719%0.192CC..EExtended strand (participates in β ladder)trans-114.9141.8178.8-7286.4000110.2H14 R20 I23 W42 L335 M354 I356H14-W16 AromaticContact CD2-CD1 3.54Å; H14-W16 AromaticContact CD2-NE1 3.46Å; H14-W16 PolarHBondContact CD2-NE1 3.44Å; H14-W16 AromaticContact NE2-CD1 3.86Å; H14-W16 AromaticContact NE2-NE1 3.73Å; W16-R20 HydrophobicContact CE3-CB 4Å; W16-R20 HydrophobicContact CZ3-CB 4.36Å; W16-R20 VanDerWaalsContact CZ3-O 3.27Å; W16-R20 WeakPolarHBondContact CZ3-O 3.46Å; W16-R20 PolarHBondContact O-NH1 3.19Å; W16-I23 HydrophobicContact CD2-CB 3.96Å; W16-I23 HydrophobicContact CD2-CD1 4.46Å; W16-I23 HydrophobicContact CD2-CG1 4.06Å; W16-I23 HydrophobicContact CE3-CB 3.94Å; W16-I23 HydrophobicContact CG-CG1 4.45Å; W16-I23 HydrophobicContact CH2-CB 4.09Å; W16-I23 HydrophobicContact CH2-CD1 4.43Å; W16-I23 HydrophobicContact CZ2-CB 4.07Å; W16-I23 HydrophobicContact CZ2-CD1 3.67Å; W16-I23 HydrophobicContact CZ2-CG1 4.1Å; W16-I23 HydrophobicContact CZ3-CB 4.02Å; W16-W42 AromaticContact CH2-CH2 3.44Å; W16-W42 HydrophobicContact CH2-CH2 3.44Å; W16-W42 VanDerWaalsContact CH2-CH2 3.44Å; W16-W42 AromaticContact CH2-CZ2 3.91Å; W16-W42 HydrophobicContact CH2-CZ2 3.91Å; W16-W42 HydrophobicContact CH2-CZ3 4.46Å; W16-W42 AromaticContact CZ3-CH2 3.62Å; W16-W42 HydrophobicContact CZ3-CH2 3.62Å; W16-W42 HydrophobicContact CZ3-CZ2 4.48Å; W16-W42 HydrophobicContact CZ3-CZ3 4.41Å; W16-L335 HydrophobicContact CD2-CD2 3.67Å; W16-L335 VanDerWaalsContact CE2-CD2 3.5Å; W16-L335 HydrophobicContact CE3-CD2 4.36Å; W16-L335 HydrophobicContact CG-CD2 3.77Å; W16-L335 HydrophobicContact CZ2-CD2 4.02Å; W16-M354 HydrophobicContact CH2-CE 4.41Å; W16-M354 HydrophobicContact CZ2-CE 4.34Å; W16-M354 HydrophobicContact CZ2-SD 4.3Å; W16-I356 HydrophobicContact CH2-CD1 4.23Å
17N98.4Very high97.2Very high13 Ų1336.7 Ų36.77%0.0719%0.191CC..  trans-67.6174.4168.872.7-18.9000111.4D19 R20 S21 Q22 W60N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 2.69Å; N17-D19 PolarHBondContact OD1-OD1 3.28Å; N17-R20 WeakPolarHBondContact O-CD 3.2Å; N17-R20 PolarHBondContact O-N 2.59Å; N17-R20 PolarHBondContact O-NH1 3.42Å; N17-R20 WeakPolarHBondContact OD1-CA 3.49Å; N17-R20 PolarHBondContact OD1-N 2.9Å; N17-R20 VanDerWaalsContact OD1-N 3.15Å; N17-S21 PolarHBondContact ND2-OG 3.26Å; N17-S21 PolarHBondContact OD1-N 2.86Å; N17-Q22 HydrophobicContact CB-CB 4.45Å; N17-Q22 PolarHBondContact N-O 2.89Å; N17-Q22 PolarHBondContact OD1-N 2.65Å; N17-Q22 PolarHBondContact OD1-O 2.78Å; N17-Q22 VanDerWaalsContact OD1-O 3.13Å; N17-W60 HydrophobicContact CB-CD2 3.89Å; N17-W60 HydrophobicContact CB-CE3 4.07Å; N17-W60 HydrophobicContact CB-CH2 3.88Å; N17-W60 HydrophobicContact CB-CZ2 3.67Å; N17-W60 HydrophobicContact CB-CZ3 4.07Å
18K97.6Very high97.4Very high112 Ų11238.3 Ų38.349%0.48720%0.2SC..THydrogen-bonded Turntrans-56.9-48.8-172.1179.6170.9173.1168.60114.7R20 P62 E63K18-R20 VanDerWaalsContact C-N 3.3Å; K18-P62 HydrophobicContact CB-CB 3.72Å; K18-P62 WeakPolarHBondContact CB-O 3.38Å; K18-P62 HydrophobicContact CD-CB 4.26Å; K18-P62 WeakPolarHBondContact CD-O 3.27Å; K18-P62 HydrophobicContact CG-CB 3.97Å; K18-E63 WeakPolarHBondContact CD-OE1 3.3Å; K18-E63 WeakPolarHBondContact CE-OE1 3.46Å; K18-E63 IonicContact NZ-OE1 3.78Å; K18-E63 PolarHBondContact NZ-OE1 2.9Å; K18-E63 IonicContact NZ-OE2 3.91Å; K18-E63 PolarHBondContact NZ-OE2 3.33Å
19D96Very high97.6Very high109 Ų10934.5 Ų34.558%0.58318%0.176SC*.THydrogen-bonded Turntrans-86.7-0.5-175.867.6-13.5000113.3N17 S21N17-D19 PolarHBondContact ND2-OD1 2.75Å; N17-D19 PolarHBondContact O-N 2.69Å; N17-D19 PolarHBondContact OD1-OD1 3.28Å; D19-S21 PolarHBondContact O-N 3.42Å; D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.07Å; D19-S21 VanDerWaalsContact OD1-N 3.08Å; D19-S21 PolarHBondContact OD1-OG 2.72Å; D19-S21 WeakPolarHBondContact OD2-CB 3.3Å; D19-S21 PolarHBondContact OD2-OG 3.08Å
20R96.8Very high97.8Very high95 Ų9533.4 Ų33.436%0.35817%0.17SC..SBendtrans61.624.2-178-41.4-57.5177-156.74.8113.4W16 N17 K18 L335W16-R20 HydrophobicContact CE3-CB 4Å; W16-R20 HydrophobicContact CZ3-CB 4.36Å; W16-R20 VanDerWaalsContact CZ3-O 3.27Å; W16-R20 WeakPolarHBondContact CZ3-O 3.46Å; W16-R20 PolarHBondContact O-NH1 3.19Å; N17-R20 WeakPolarHBondContact O-CD 3.2Å; N17-R20 PolarHBondContact O-N 2.59Å; N17-R20 PolarHBondContact O-NH1 3.42Å; N17-R20 WeakPolarHBondContact OD1-CA 3.49Å; N17-R20 PolarHBondContact OD1-N 2.9Å; N17-R20 VanDerWaalsContact OD1-N 3.15Å; K18-R20 VanDerWaalsContact C-N 3.3Å; R20-L335 HydrophobicContact CG-CB 4.48Å; R20-L335 PolarHBondContact NE-O 2.82Å
21S95.8Very high97.9Very high35 Ų3532.7 Ų32.725%0.24516%0.164CC..SBendtrans-79.2-25.7173.460.70000112.6N17 D19 K37N17-S21 PolarHBondContact ND2-OG 3.26Å; N17-S21 PolarHBondContact OD1-N 2.86Å; D19-S21 PolarHBondContact O-N 3.42Å; D19-S21 WeakPolarHBondContact OD1-CB 3.38Å; D19-S21 PolarHBondContact OD1-N 3.07Å; D19-S21 VanDerWaalsContact OD1-N 3.08Å; D19-S21 PolarHBondContact OD1-OG 2.72Å; D19-S21 WeakPolarHBondContact OD2-CB 3.3Å; D19-S21 PolarHBondContact OD2-OG 3.08Å; S21-K37 PolarHBondContact O-N 2.89Å
22Q98.1Very high97.9Very high31 Ų3132.7 Ų32.715%0.14516%0.164CC..EExtended strand (participates in β ladder)trans-127.5141.7-177.9-59.3-178.5-6.900112.2N17 I34 Y35 E36 W60N17-Q22 HydrophobicContact CB-CB 4.45Å; N17-Q22 PolarHBondContact N-O 2.89Å; N17-Q22 PolarHBondContact OD1-N 2.65Å; N17-Q22 PolarHBondContact OD1-O 2.78Å; N17-Q22 VanDerWaalsContact OD1-O 3.13Å; Q22-I34 HydrophobicContact CB-CG2 4.07Å; Q22-Y35 CarbonylContact C-O 3.59Å; Q22-Y35 VanDerWaalsContact CA-O 3.24Å; Q22-Y35 WeakPolarHBondContact CA-O 3.03Å; Q22-E36 HydrophobicContact CG-CB 4.05Å; Q22-E36 HydrophobicContact CG-CG 4.06Å; Q22-E36 PolarHBondContact NE2-OE1 2.81Å; Q22-W60 HydrophobicContact CB-CH2 3.97Å; Q22-W60 HydrophobicContact CB-CZ3 4.24Å
23I98.6Very high97.9Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-121.2128.6173.3-171-177.2000109.6F6 H14 W16 I25 I34 Y35 W42 M354F6-I23 HydrophobicContact CE2-CG2 4.49Å; F6-I23 HydrophobicContact CZ-CG2 3.9Å; H14-I23 HydrophobicContact CB-CD1 4.22Å; H14-I23 HydrophobicContact CB-CG1 4.37Å; W16-I23 HydrophobicContact CD2-CB 3.96Å; W16-I23 HydrophobicContact CD2-CD1 4.46Å; W16-I23 HydrophobicContact CD2-CG1 4.06Å; W16-I23 HydrophobicContact CE3-CB 3.94Å; W16-I23 HydrophobicContact CG-CG1 4.45Å; W16-I23 HydrophobicContact CH2-CB 4.09Å; W16-I23 HydrophobicContact CH2-CD1 4.43Å; W16-I23 HydrophobicContact CZ2-CB 4.07Å; W16-I23 HydrophobicContact CZ2-CD1 3.67Å; W16-I23 HydrophobicContact CZ2-CG1 4.1Å; W16-I23 HydrophobicContact CZ3-CB 4.02Å; I23-I25 HydrophobicContact CD1-CG2 3.77Å; I23-I25 HydrophobicContact CG1-CG2 3.91Å; I23-I34 CarbonylContact O-C 3.48Å; I23-I34 WeakPolarHBondContact O-CA 3.34Å; I23-Y35 PolarHBondContact N-O 3.24Å; I23-Y35 PolarHBondContact O-N 3.07Å; I23-W42 HydrophobicContact CG2-CE3 4.16Å; I23-W42 HydrophobicContact CG2-CH2 4.14Å; I23-W42 HydrophobicContact CG2-CZ3 3.69Å; I23-M354 HydrophobicContact CD1-CG 4.12Å
24A98.8Very high97.9Very high0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-95129.2168.800000109.1H14 A15 V32 H33 I34 I58 W60H14-A24 CarbonylContact C-O 3.57Å; H14-A24 WeakPolarHBondContact CA-O 3.41Å; H14-A24 WeakPolarHBondContact CB-O 3.46Å; A15-A24 PolarHBondContact N-O 2.99Å; A15-A24 PolarHBondContact O-N 3.49Å; A24-V32 HydrophobicContact CB-CG1 3.87Å; A24-H33 WeakPolarHBondContact CA-O 3.22Å; A24-I34 HydrophobicContact CB-CG1 4.13Å; A24-I58 HydrophobicContact CB-CG2 4.23Å; A24-W60 HydrophobicContact CB-CE3 3.99Å; A24-W60 HydrophobicContact CB-CZ3 3.9Å
25I98.8Very high97.9Very high0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-130.8147.917864.9173.6000111.3F6 L7 I11 H14 I23 V32 H33 Y35F6-I25 HydrophobicContact CB-CD1 3.81Å; F6-I25 HydrophobicContact CD1-CD1 4.15Å; F6-I25 HydrophobicContact CD2-CD1 3.96Å; F6-I25 HydrophobicContact CG-CD1 3.72Å; L7-I25 HydrophobicContact CD2-CD1 4.18Å; I11-I25 HydrophobicContact CD1-CD1 4.3Å; I11-I25 HydrophobicContact CD1-CG2 4.5Å; I11-I25 HydrophobicContact CG1-CD1 4.39Å; I11-I25 HydrophobicContact CG2-CB 4.1Å; I11-I25 HydrophobicContact CG2-CG2 4.2Å; H14-I25 HydrophobicContact CB-CG2 3.96Å; I23-I25 HydrophobicContact CD1-CG2 3.77Å; I23-I25 HydrophobicContact CG1-CG2 3.91Å; I25-V32 WeakPolarHBondContact O-CA 3.32Å; I25-H33 HydrophobicContact CG1-CB 4.31Å; I25-H33 PolarHBondContact N-O 2.94Å; I25-H33 PolarHBondContact O-N 2.92Å; I25-Y35 HydrophobicContact CD1-CD2 4.08Å; I25-Y35 HydrophobicContact CD1-CE2 3.75Å; I25-Y35 HydrophobicContact CG1-CD2 4.15Å; I25-Y35 HydrophobicContact CG1-CE2 4.02Å
26C98.6Very high97.8Very high0 Ų036.5 Ų36.50%018%0.175CC..  trans-99.1112.9165.2171.40000109.4I11 S12 C13 N28 N29 V55 I58I11-C26 WeakPolarHBondContact CA-O 3.35Å; S12-C26 PolarHBondContact N-O 3.28Å; C13-C26 PolarHBondContact O-N 3.3Å; C26-N28 PolarHBondContact O-N 2.96Å; C26-N29 PolarHBondContact SG-O 3Å; C26-V55 HydrophobicContact CB-CB 4.07Å; C26-V55 HydrophobicContact CB-CG1 4.43Å; C26-V55 PolarHBondContact SG-O 3.22Å; C26-I58 HydrophobicContact CB-CD1 4.05Å
27P97.3Very high97.5Very high19 Ų1940.8 Ų40.812%0.12320%0.195CC..  trans-83.857-179.636.8-37.3000111.6L7 P10 N29L7-P27 HydrophobicContact CD1-CB 3.84Å; L7-P27 HydrophobicContact CD2-CB 3.53Å; L7-P27 HydrophobicContact CG-CB 4.36Å; P10-P27 CarbonylContact O-C 3.58Å; P27-N29 WeakPolarHBondContact CD-OD1 3.13Å; P27-N29 WeakPolarHBondContact CG-OD1 3.33Å; P27-N29 PolarHBondContact O-N 3.05Å
28N96.9Very high97Very high60 Ų6044.2 Ų44.232%0.32122%0.22SC..SBendtrans57.127.2179.9-160.536.1000115.7E9 P10 S12 C26 Q54E9-N28 HydrophobicContact CB-CB 4.25Å; P10-N28 HydrophobicContact CB-CB 4.3Å; P10-N28 WeakPolarHBondContact O-CB 3.16Å; P10-N28 PolarHBondContact O-N 3.19Å; P10-N28 VanDerWaalsContact O-N 3.16Å; S12-N28 WeakPolarHBondContact OG-CA 3.36Å; C26-N28 PolarHBondContact O-N 2.96Å; N28-Q54 PolarHBondContact O-NE2 3.27Å; N28-Q54 VanDerWaalsContact O-NE2 3.1Å; N28-Q54 PolarHBondContact OD1-NE2 3.33Å
29N96.3Very high96.4Very high44 Ų4442.1 Ų42.124%0.23523%0.229CC..SBendtrans-135.8-164.2-175743.3000112.2C26 P27 E31 Q54 V55C26-N29 PolarHBondContact SG-O 3Å; P27-N29 WeakPolarHBondContact CD-OD1 3.13Å; P27-N29 WeakPolarHBondContact CG-OD1 3.33Å; P27-N29 PolarHBondContact O-N 3.05Å; N29-E31 VanDerWaalsContact C-N 3.33Å; N29-E31 PolarHBondContact OD1-N 2.93Å; N29-E31 PolarHBondContact OD1-O 2.83Å; N29-E31 VanDerWaalsContact OD1-O 3.12Å; N29-Q54 VanDerWaalsContact O-CA 3.27Å; N29-Q54 WeakPolarHBondContact O-CA 3.29Å; N29-V55 PolarHBondContact O-N 3.3Å
30H97.8Very high95.9Very high85 Ų8541.7 Ų41.739%0.39424%0.241SC..SBendtrans-90.88.9-178.665.1-84.2000113.7H51 G53H30-H51 WeakPolarHBondContact CB-O 3.4Å; H30-H51 PolarHBondContact CD2-O 3.03Å; H30-G53 VanDerWaalsContact CA-O 3.3Å; H30-G53 WeakPolarHBondContact CA-O 3.44Å; H30-G53 WeakPolarHBondContact CB-O 3.37Å
31E98.2Very high95.6Very high21 Ų2144 Ų4410%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-118.4159.6-176-54.2-177.3163.300110.9N29 H33 E47 L48 K49N29-E31 VanDerWaalsContact C-N 3.33Å; N29-E31 PolarHBondContact OD1-N 2.93Å; N29-E31 PolarHBondContact OD1-O 2.83Å; N29-E31 VanDerWaalsContact OD1-O 3.12Å; E31-H33 IonicContact OE2-CD2 3.72Å; E31-H33 IonicContact OE2-CE1 3.67Å; E31-H33 IonicContact OE2-NE2 3.07Å; E31-H33 PolarHBondContact OE2-NE2 2.77Å; E31-E47 VanDerWaalsContact OE2-OE1 3.11Å; E31-L48 WeakPolarHBondContact CA-O 3.33Å; E31-K49 HydrophobicContact CG-CD 4.4Å; E31-K49 HydrophobicContact CG-CG 3.98Å; E31-K49 WeakPolarHBondContact OE1-CD 2.97Å; E31-K49 WeakPolarHBondContact OE1-CE 3.22Å; E31-K49 IonicContact OE1-NZ 2.69Å; E31-K49 PolarHBondContact OE1-NZ 3.07Å; E31-K49 IonicContact OE2-NZ 2.85Å
32V98.8Very high95.6Very high1 Ų143.5 Ų43.51%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-117.3126167.4177.10000109.2A24 I25 E47 L48 V55 I58 T69A24-V32 HydrophobicContact CB-CG1 3.87Å; I25-V32 WeakPolarHBondContact O-CA 3.32Å; V32-E47 WeakPolarHBondContact O-CA 3.35Å; V32-L48 HydrophobicContact CB-CB 4.08Å; V32-L48 PolarHBondContact N-O 3.17Å; V32-L48 PolarHBondContact O-N 2.88Å; V32-V55 HydrophobicContact CG2-CB 4.34Å; V32-V55 HydrophobicContact CG2-CG1 3.96Å; V32-V55 HydrophobicContact CG2-CG2 4.11Å; V32-I58 HydrophobicContact CB-CD1 4.33Å; V32-I58 HydrophobicContact CG1-CD1 3.71Å; V32-I58 HydrophobicContact CG1-CG1 4.5Å; V32-I58 HydrophobicContact CG2-CD1 3.68Å; V32-I58 HydrophobicContact CG2-CG1 4Å; V32-T69 HydrophobicContact CG2-CG2 3.93Å
33H98.7Very high95.6Very high20 Ų2044.3 Ų44.39%0.09325%0.254CS..EExtended strand (participates in β ladder)trans-103127.2178.6-65.4-175.3000108.9A24 I25 E31 Y35 K44 E47A24-H33 WeakPolarHBondContact CA-O 3.22Å; I25-H33 HydrophobicContact CG1-CB 4.31Å; I25-H33 PolarHBondContact N-O 2.94Å; I25-H33 PolarHBondContact O-N 2.92Å; E31-H33 IonicContact OE2-CD2 3.72Å; E31-H33 IonicContact OE2-CE1 3.67Å; E31-H33 IonicContact OE2-NE2 3.07Å; E31-H33 PolarHBondContact OE2-NE2 2.77Å; H33-Y35 HydrophobicContact CB-CD2 4.21Å; H33-Y35 HydrophobicContact CB-CE2 3.6Å; H33-K44 HydrophobicContact CB-CD 3.85Å; H33-K44 HydrophobicContact CB-CG 4.41Å; H33-E47 IonicContact CD2-OE1 3.19Å; H33-E47 IonicContact CE1-OE1 3.94Å; H33-E47 IonicContact NE2-OE1 3.03Å; H33-E47 PolarHBondContact NE2-OE1 2.89Å; H33-E47 VanDerWaalsContact NE2-OE1 3.07Å
34I98.8Very high95.5Very high0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-102.1122.7175.7-53.5-178.6000108.2Q22 I23 A24 K44 V45 H46 L48 W60 I67 W86Q22-I34 HydrophobicContact CB-CG2 4.07Å; I23-I34 CarbonylContact O-C 3.48Å; I23-I34 WeakPolarHBondContact O-CA 3.34Å; A24-I34 HydrophobicContact CB-CG1 4.13Å; I34-K44 CarbonylContact O-C 3.57Å; I34-K44 WeakPolarHBondContact O-CA 3.49Å; I34-V45 HydrophobicContact CB-CG2 4.28Å; I34-V45 HydrophobicContact CG2-CG2 3.96Å; I34-V45 WeakPolarHBondContact O-CG2 3.49Å; I34-V45 PolarHBondContact O-N 3.44Å; I34-H46 HydrophobicContact CB-CB 4.01Å; I34-H46 HydrophobicContact CD1-CB 4.05Å; I34-H46 HydrophobicContact CG1-CB 4.18Å; I34-H46 PolarHBondContact N-O 2.87Å; I34-H46 PolarHBondContact O-N 2.78Å; I34-L48 HydrophobicContact CD1-CD1 3.74Å; I34-L48 HydrophobicContact CD1-CD2 4.49Å; I34-L48 HydrophobicContact CG1-CD1 4.15Å; I34-W60 HydrophobicContact CD1-CH2 4.15Å; I34-W60 HydrophobicContact CD1-CZ3 4.49Å; I34-W60 HydrophobicContact CG2-CH2 3.95Å; I34-W60 HydrophobicContact CG2-CZ3 4.15Å; I34-I67 HydrophobicContact CD1-CD1 3.6Å; I34-W86 HydrophobicContact CD1-CZ2 4.32Å
35Y98.6Very high95.5Very high35 Ų3551.6 Ų51.614%0.13729%0.289CS..EExtended strand (participates in β ladder)trans-108.9137.9175.8-71.1-101.4000110.3F6 Q22 I23 I25 H33 W42 T43 K44F6-Y35 AromaticContact CD1-CD1 3.81Å; F6-Y35 HydrophobicContact CD1-CD1 3.81Å; F6-Y35 HydrophobicContact CD1-CD2 4.01Å; F6-Y35 AromaticContact CD1-CE1 3.75Å; F6-Y35 HydrophobicContact CD1-CE1 3.75Å; F6-Y35 AromaticContact CD1-CE2 3.98Å; F6-Y35 HydrophobicContact CD1-CE2 3.98Å; F6-Y35 AromaticContact CD1-CG 3.94Å; F6-Y35 HydrophobicContact CD1-CG 3.94Å; F6-Y35 AromaticContact CD1-CZ 3.84Å; F6-Y35 AromaticContact CE1-CD1 3.55Å; F6-Y35 HydrophobicContact CE1-CD1 3.55Å; F6-Y35 AromaticContact CE1-CD2 3.86Å; F6-Y35 HydrophobicContact CE1-CD2 3.86Å; F6-Y35 HydrophobicContact CE1-CE1 4.01Å; F6-Y35 HydrophobicContact CE1-CE2 4.3Å; F6-Y35 AromaticContact CE1-CG 3.46Å; F6-Y35 HydrophobicContact CE1-CG 3.46Å; F6-Y35 VanDerWaalsContact CE1-CG 3.46Å; F6-Y35 HydrophobicContact CZ-CG 4.36Å; Q22-Y35 CarbonylContact C-O 3.59Å; Q22-Y35 VanDerWaalsContact CA-O 3.24Å; Q22-Y35 WeakPolarHBondContact CA-O 3.03Å; I23-Y35 PolarHBondContact N-O 3.24Å; I23-Y35 PolarHBondContact O-N 3.07Å; I25-Y35 HydrophobicContact CD1-CD2 4.08Å; I25-Y35 HydrophobicContact CD1-CE2 3.75Å; I25-Y35 HydrophobicContact CG1-CD2 4.15Å; I25-Y35 HydrophobicContact CG1-CE2 4.02Å; H33-Y35 HydrophobicContact CB-CD2 4.21Å; H33-Y35 HydrophobicContact CB-CE2 3.6Å; Y35-W42 HydrophobicContact CD1-CB 4.29Å; Y35-T43 CarbonylContact C-O 3.57Å; Y35-T43 VanDerWaalsContact CA-O 3.3Å; Y35-T43 WeakPolarHBondContact CA-O 3.48Å; Y35-K44 HydrophobicContact CD1-CB 4.03Å; Y35-K44 HydrophobicContact CE1-CB 3.71Å; Y35-K44 HydrophobicContact CE2-CB 4.44Å; Y35-K44 HydrophobicContact CE2-CG 4.45Å
36E97.2Very high95.5Very high71 Ų7153.7 Ų53.733%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-110.6144.9172.2-175168.8-11100109.5Q22 T43 V45Q22-E36 HydrophobicContact CG-CB 4.05Å; Q22-E36 HydrophobicContact CG-CG 4.06Å; Q22-E36 PolarHBondContact NE2-OE1 2.81Å; E36-T43 PolarHBondContact N-O 2.75Å; E36-T43 PolarHBondContact O-N 3.17Å; E36-T43 PolarHBondContact O-OG1 2.96Å; E36-V45 HydrophobicContact CB-CG1 3.69Å; E36-V45 HydrophobicContact CB-CG2 4.08Å
37K91.2Very high95.5Very high106 Ų10657.3 Ų57.346%0.46132%0.316SS..EExtended strand (participates in β ladder)trans-92.4118.2176.6-165.7178.2-178.3-177.90110.6S21 G39 W42S21-K37 PolarHBondContact O-N 2.89Å; K37-G39 WeakPolarHBondContact CE-O 3.45Å; K37-W42 HydrophobicContact CB-CD2 4.2Å; K37-W42 HydrophobicContact CB-CE3 3.9Å; K37-W42 HydrophobicContact CB-CH2 3.77Å; K37-W42 HydrophobicContact CB-CZ2 4.1Å; K37-W42 HydrophobicContact CB-CZ3 3.68Å; K37-W42 HydrophobicContact CD-CH2 4.24Å; K37-W42 HydrophobicContact CD-CZ2 3.87Å; K37-W42 HydrophobicContact CG-CD2 4.36Å; K37-W42 HydrophobicContact CG-CH2 4.36Å; K37-W42 HydrophobicContact CG-CZ2 4.19Å
38S88Confident95.5Very high85 Ų8556.7 Ų56.759%0.59431%0.312SS*.EExtended strand (participates in β ladder)trans-115.3103.9170.3-172.40000109.6A40 K41S38-A40 PolarHBondContact O-N 2.72Å; S38-K41 PolarHBondContact N-O 3.13Å; S38-K41 PolarHBondContact O-N 2.83Å; S38-K41 VanDerWaalsContact O-N 3.09Å
39G85.8Confident95.6Very high67 Ų6758.7 Ų58.769%0.69132%0.317SS*.THydrogen-bonded Turntrans62.2-116.9-171.700000112K37K37-G39 WeakPolarHBondContact CE-O 3.45Å
40A84.4Confident95.7Very high100 Ų10060.9 Ų60.983%0.82633%0.327SS*.THydrogen-bonded Turntrans-93.6-6.9176.900000113.8S38S38-A40 PolarHBondContact O-N 2.72Å
41K91.8Very high95.7Very high144 Ų14457 Ų5763%0.62631%0.308SS*.EExtended strand (participates in β ladder)trans-102.6140-173.3-171.9177.8177.6-177.70111S38 T43S38-K41 PolarHBondContact N-O 3.13Å; S38-K41 PolarHBondContact O-N 2.83Å; S38-K41 VanDerWaalsContact O-N 3.09Å; K41-T43 HydrophobicContact CD-CG2 4.23Å; K41-T43 HydrophobicContact CG-CG2 4.28Å
42W95.8Very high95.7Very high25 Ų2563.3 Ų63.310%0.09534%0.343CS..EExtended strand (participates in β ladder)trans-94.9133.2167-70.9100.4000110.1H4 F6 W16 I23 Y35 K37 M354H4-W42 AromaticContact CD2-CD1 3.42Å; H4-W42 VanDerWaalsContact CD2-CD1 3.42Å; H4-W42 AromaticContact CD2-CG 3.96Å; H4-W42 AromaticContact CE1-CD1 3.71Å; H4-W42 AromaticContact CG-CD1 3.52Å; H4-W42 AromaticContact ND1-CD1 3.7Å; H4-W42 AromaticContact NE2-CD1 3.52Å; H4-W42 AromaticContact NE2-CG 3.84Å; F6-W42 HydrophobicContact CE1-CB 3.82Å; F6-W42 HydrophobicContact CE1-CD2 4.22Å; F6-W42 AromaticContact CE1-CG 3.93Å; F6-W42 HydrophobicContact CE1-CG 3.93Å; F6-W42 HydrophobicContact CZ-CB 4.41Å; F6-W42 AromaticContact CZ-CD2 3.96Å; F6-W42 HydrophobicContact CZ-CD2 3.96Å; F6-W42 HydrophobicContact CZ-CE3 4.27Å; F6-W42 HydrophobicContact CZ-CG 4.03Å; W16-W42 AromaticContact CH2-CH2 3.44Å; W16-W42 HydrophobicContact CH2-CH2 3.44Å; W16-W42 VanDerWaalsContact CH2-CH2 3.44Å; W16-W42 AromaticContact CH2-CZ2 3.91Å; W16-W42 HydrophobicContact CH2-CZ2 3.91Å; W16-W42 HydrophobicContact CH2-CZ3 4.46Å; W16-W42 AromaticContact CZ3-CH2 3.62Å; W16-W42 HydrophobicContact CZ3-CH2 3.62Å; W16-W42 HydrophobicContact CZ3-CZ2 4.48Å; W16-W42 HydrophobicContact CZ3-CZ3 4.41Å; I23-W42 HydrophobicContact CG2-CE3 4.16Å; I23-W42 HydrophobicContact CG2-CH2 4.14Å; I23-W42 HydrophobicContact CG2-CZ3 3.69Å; Y35-W42 HydrophobicContact CD1-CB 4.29Å; K37-W42 HydrophobicContact CB-CD2 4.2Å; K37-W42 HydrophobicContact CB-CE3 3.9Å; K37-W42 HydrophobicContact CB-CH2 3.77Å; K37-W42 HydrophobicContact CB-CZ2 4.1Å; K37-W42 HydrophobicContact CB-CZ3 3.68Å; K37-W42 HydrophobicContact CD-CH2 4.24Å; K37-W42 HydrophobicContact CD-CZ2 3.87Å; K37-W42 HydrophobicContact CG-CD2 4.36Å; K37-W42 HydrophobicContact CG-CH2 4.36Å; K37-W42 HydrophobicContact CG-CZ2 4.19Å; W42-M354 HydrophobicContact CH2-CE 4.49Å; W42-M354 HydrophobicContact CZ2-CE 3.66Å
43T96.9Very high95.6Very high48 Ų4863.8 Ų63.829%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-128.3129.5179.447.50000110.4Y35 E36 K41 V45Y35-T43 CarbonylContact C-O 3.57Å; Y35-T43 VanDerWaalsContact CA-O 3.3Å; Y35-T43 WeakPolarHBondContact CA-O 3.48Å; E36-T43 PolarHBondContact N-O 2.75Å; E36-T43 PolarHBondContact O-N 3.17Å; E36-T43 PolarHBondContact O-OG1 2.96Å; K41-T43 HydrophobicContact CD-CG2 4.23Å; K41-T43 HydrophobicContact CG-CG2 4.28Å; T43-V45 PolarHBondContact O-N 3.3Å
44K97.6Very high95.6Very high99 Ų9967 Ų6743%0.4336%0.363SS..EExtended strand (participates in β ladder)trans-67.7117.9173.5-172.5168.869.7168.70108.8H33 I34 Y35 E47H33-K44 HydrophobicContact CB-CD 3.85Å; H33-K44 HydrophobicContact CB-CG 4.41Å; I34-K44 CarbonylContact O-C 3.57Å; I34-K44 WeakPolarHBondContact O-CA 3.49Å; Y35-K44 HydrophobicContact CD1-CB 4.03Å; Y35-K44 HydrophobicContact CE1-CB 3.71Å; Y35-K44 HydrophobicContact CE2-CB 4.44Å; Y35-K44 HydrophobicContact CE2-CG 4.45Å; K44-E47 IonicContact NZ-OE1 3.59Å; K44-E47 PolarHBondContact NZ-OE1 3.13Å
45V98Very high95.6Very high53 Ų5367 Ų6732%0.32136%0.364SS..EExtended strand (participates in β ladder)trans-105.6-28-178.7-68.50000112.6I34 E36 T43I34-V45 HydrophobicContact CB-CG2 4.28Å; I34-V45 HydrophobicContact CG2-CG2 3.96Å; I34-V45 WeakPolarHBondContact O-CG2 3.49Å; I34-V45 PolarHBondContact O-N 3.44Å; E36-V45 HydrophobicContact CB-CG1 3.69Å; E36-V45 HydrophobicContact CB-CG2 4.08Å; T43-V45 PolarHBondContact O-N 3.3Å
46H98.5Very high95.7Very high44 Ų4466.4 Ų66.420%0.20436%0.363CS..EExtended strand (participates in β ladder)trans-141.5158.9176.6-57.4-67.7000112.6I34 L48 R84 W86I34-H46 HydrophobicContact CB-CB 4.01Å; I34-H46 HydrophobicContact CD1-CB 4.05Å; I34-H46 HydrophobicContact CG1-CB 4.18Å; I34-H46 PolarHBondContact N-O 2.87Å; I34-H46 PolarHBondContact O-N 2.78Å; H46-L48 HydrophobicContact CB-CD1 4.07Å; H46-R84 PolarHBondContact CE1-O 3.47Å; H46-W86 AromaticContact CD2-CD1 3.74Å; H46-W86 AromaticContact CD2-NE1 3.44Å; H46-W86 PolarHBondContact CD2-NE1 2.84Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.85Å; H46-W86 AromaticContact NE2-NE1 3.8Å
47E98.3Very high95.7Very high77 Ų7763.1 Ų63.136%0.3635%0.349SS..EExtended strand (participates in β ladder)trans-138.3118.4175.5-167.6168-117.600108.2E31 V32 H33 K44 K49E31-E47 VanDerWaalsContact OE2-OE1 3.11Å; V32-E47 WeakPolarHBondContact O-CA 3.35Å; H33-E47 IonicContact CD2-OE1 3.19Å; H33-E47 IonicContact CE1-OE1 3.94Å; H33-E47 IonicContact NE2-OE1 3.03Å; H33-E47 PolarHBondContact NE2-OE1 2.89Å; H33-E47 VanDerWaalsContact NE2-OE1 3.07Å; K44-E47 IonicContact NZ-OE1 3.59Å; K44-E47 PolarHBondContact NZ-OE1 3.13Å; E47-K49 VanDerWaalsContact CD-NZ 3.25Å; E47-K49 HydrophobicContact CG-CD 4.37Å; E47-K49 HydrophobicContact CG-CG 4.03Å; E47-K49 IonicContact OE1-NZ 3.05Å; E47-K49 WeakPolarHBondContact OE2-CE 3.39Å; E47-K49 IonicContact OE2-NZ 2.78Å; E47-K49 PolarHBondContact OE2-NZ 3.15Å
48L98.7Very high96.1Very high5 Ų558.1 Ų58.13%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-102.8109.8-177.1-82.960.4000107.9E31 V32 I34 H46 I67 W79 W86E31-L48 WeakPolarHBondContact CA-O 3.33Å; V32-L48 HydrophobicContact CB-CB 4.08Å; V32-L48 PolarHBondContact N-O 3.17Å; V32-L48 PolarHBondContact O-N 2.88Å; I34-L48 HydrophobicContact CD1-CD1 3.74Å; I34-L48 HydrophobicContact CD1-CD2 4.49Å; I34-L48 HydrophobicContact CG1-CD1 4.15Å; H46-L48 HydrophobicContact CB-CD1 4.07Å; L48-I67 HydrophobicContact CD2-CD1 4.29Å; L48-W79 HydrophobicContact CB-CD2 4.3Å; L48-W79 HydrophobicContact CB-CE3 4.1Å; L48-W79 HydrophobicContact CB-CH2 3.64Å; L48-W79 HydrophobicContact CB-CZ2 3.88Å; L48-W79 HydrophobicContact CB-CZ3 3.76Å; L48-W79 HydrophobicContact CD2-CB 4.17Å; L48-W79 HydrophobicContact CD2-CD2 3.46Å; L48-W79 VanDerWaalsContact CD2-CD2 3.46Å; L48-W79 HydrophobicContact CD2-CE3 3.74Å; L48-W79 HydrophobicContact CD2-CG 3.66Å; L48-W79 HydrophobicContact CD2-CZ2 4.39Å; L48-W79 HydrophobicContact CD2-CZ3 4.29Å; L48-W79 HydrophobicContact CG-CD2 3.86Å; L48-W79 HydrophobicContact CG-CE3 3.59Å; L48-W79 HydrophobicContact CG-CH2 4.1Å; L48-W79 HydrophobicContact CG-CZ2 4.36Å; L48-W79 HydrophobicContact CG-CZ3 3.72Å; L48-W86 HydrophobicContact CD1-CB 3.83Å; L48-W86 HydrophobicContact CD1-CG 3.87Å; L48-W86 HydrophobicContact CD2-CB 4.34Å; L48-W86 HydrophobicContact CD2-CG 4.47Å; L48-W86 HydrophobicContact CG-CB 3.95Å; L48-W86 HydrophobicContact CG-CG 4.36Å
49K97.9Very high96.6Very high102 Ų10255.6 Ų55.644%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-122.5107.3-175.9-50.3-169.5-174.9-149.20110.2E31 E47E31-K49 HydrophobicContact CG-CD 4.4Å; E31-K49 HydrophobicContact CG-CG 3.98Å; E31-K49 WeakPolarHBondContact OE1-CD 2.97Å; E31-K49 WeakPolarHBondContact OE1-CE 3.22Å; E31-K49 IonicContact OE1-NZ 2.69Å; E31-K49 PolarHBondContact OE1-NZ 3.07Å; E31-K49 IonicContact OE2-NZ 2.85Å; E47-K49 VanDerWaalsContact CD-NZ 3.25Å; E47-K49 HydrophobicContact CG-CD 4.37Å; E47-K49 HydrophobicContact CG-CG 4.03Å; E47-K49 IonicContact OE1-NZ 3.05Å; E47-K49 WeakPolarHBondContact OE2-CE 3.39Å; E47-K49 IonicContact OE2-NZ 2.78Å; E47-K49 PolarHBondContact OE2-NZ 3.15Å
50E98.4Very high97.2Very high91 Ų9152.9 Ų52.943%0.42528%0.276SS..  trans-159.1-24.2175.6-159.369.6-138.300112.1Y77 W79 P88E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE1 4.43Å; E50-Y77 HydrophobicContact CB-CE2 4.01Å; E50-Y77 HydrophobicContact CG-CD1 4.09Å; E50-Y77 HydrophobicContact CG-CD2 4.4Å; E50-Y77 HydrophobicContact CG-CE1 3.56Å; E50-Y77 HydrophobicContact CG-CE2 3.91Å; E50-Y77 HydrophobicContact CG-CG 4.48Å; E50-Y77 VanDerWaalsContact CG-CZ 3.45Å; E50-Y77 PolarHBondContact O-OH 2.95Å; E50-W79 HydrophobicContact CB-CH2 3.55Å; E50-W79 HydrophobicContact CB-CZ2 3.88Å; E50-P88 HydrophobicContact CB-CB 4.32Å; E50-P88 HydrophobicContact CB-CG 4.1Å; E50-P88 HydrophobicContact CG-CB 4.1Å; E50-P88 HydrophobicContact CG-CG 3.76Å; E50-P88 WeakPolarHBondContact OE2-CG 3.23Å
51H98.4Very high97.9Very high3 Ų348.1 Ų48.11%0.01424%0.236CC..  trans-70143.5173.2-78.5-75.3000111.4H30 V55 T69 D73 Y77H30-H51 WeakPolarHBondContact CB-O 3.4Å; H30-H51 PolarHBondContact CD2-O 3.03Å; H51-V55 HydrophobicContact CB-CG2 4.12Å; H51-T69 PolarHBondContact CD2-OG1 2.61Å; H51-T69 WeakPolarHBondContact NE2-CB 3.19Å; H51-T69 PolarHBondContact NE2-OG1 3.27Å; H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 2.92Å; H51-D73 WeakPolarHBondContact CB-OD2 3.47Å; H51-D73 IonicContact CE1-OD1 2.61Å; H51-D73 IonicContact CG-OD2 3.17Å; H51-D73 IonicContact ND1-OD1 2.74Å; H51-D73 PolarHBondContact ND1-OD1 3.01Å; H51-D73 VanDerWaalsContact ND1-OD1 3.12Å; H51-D73 IonicContact ND1-OD2 2.86Å; H51-D73 PolarHBondContact ND1-OD2 3Å; H51-Y77 AromaticContact CD2-CD2 3.81Å; H51-Y77 AromaticContact CE1-CD2 3.53Å; H51-Y77 AromaticContact CE1-CE2 3.84Å; H51-Y77 AromaticContact CG-CE2 3.97Å; H51-Y77 AromaticContact ND1-CD2 3.86Å; H51-Y77 AromaticContact ND1-CE2 3.73Å; H51-Y77 AromaticContact NE2-CD2 3.5Å
52N97.7Very high98.2Very high153 Ų15343.8 Ų43.882%0.81822%0.223SC*.SBendtrans-103.112.5174.3-75.2-24.6000112.5D73N52-D73 HydrophobicContact CB-CB 4.35Å; N52-D73 PolarHBondContact N-OD2 3.15Å
53G98Very high98.3Very high12 Ų1248.8 Ų48.812%0.12425%0.248CC..SBendtrans-151.4170.3179.300000109.8H30 V55 T72H30-G53 VanDerWaalsContact CA-O 3.3Å; H30-G53 WeakPolarHBondContact CA-O 3.44Å; H30-G53 WeakPolarHBondContact CB-O 3.37Å; G53-V55 PolarHBondContact O-N 2.9Å; G53-T72 WeakPolarHBondContact CA-OG1 3.43Å
54Q98.5Very high98.3Very high87 Ų8748.9 Ų48.941%0.40725%0.25SC..  trans-57.5134.3-178.7-72.9-179-35.400111.8N28 N29 T56 G71 T72N28-Q54 PolarHBondContact O-NE2 3.27Å; N28-Q54 VanDerWaalsContact O-NE2 3.1Å; N28-Q54 PolarHBondContact OD1-NE2 3.33Å; N29-Q54 VanDerWaalsContact O-CA 3.27Å; N29-Q54 WeakPolarHBondContact O-CA 3.29Å; Q54-T56 PolarHBondContact O-N 3.28Å; Q54-G71 CarbonylContact O-C 3.51Å; Q54-G71 WeakPolarHBondContact O-CA 3.48Å; Q54-T72 HydrophobicContact CB-CG2 4.26Å; Q54-T72 PolarHBondContact N-OG1 2.77Å; Q54-T72 PolarHBondContact O-N 2.85Å
55V98.8Very high98.4Very high1 Ų147.1 Ų47.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-78.1120.3174.3-177.80000108.7C26 N29 V32 H51 G53 I58C26-V55 HydrophobicContact CB-CB 4.07Å; C26-V55 HydrophobicContact CB-CG1 4.43Å; C26-V55 PolarHBondContact SG-O 3.22Å; N29-V55 PolarHBondContact O-N 3.3Å; V32-V55 HydrophobicContact CG2-CB 4.34Å; V32-V55 HydrophobicContact CG2-CG1 3.96Å; V32-V55 HydrophobicContact CG2-CG2 4.11Å; H51-V55 HydrophobicContact CB-CG2 4.12Å; G53-V55 PolarHBondContact O-N 2.9Å; V55-I58 HydrophobicContact CG1-CD1 4.42Å; V55-I58 HydrophobicContact CG1-CG1 3.87Å
56T98.8Very high98.4Very high21 Ų2146.9 Ų46.913%0.12924%0.239CC..EExtended strand (participates in β ladder)trans-104.9-16.7-173.258.20000113.2Q54 C70 T72 A99 R100Q54-T56 PolarHBondContact O-N 3.28Å; T56-C70 PolarHBondContact N-O 2.73Å; T56-C70 PolarHBondContact OG1-O 2.91Å; T56-T72 HydrophobicContact CG2-CG2 3.68Å; T56-A99 PolarHBondContact OG1-O 3.23Å; T56-R100 WeakPolarHBondContact CB-O 3.01Å; T56-R100 PolarHBondContact O-NH1 2.83Å; T56-R100 WeakPolarHBondContact OG1-CA 3.43Å; T56-R100 PolarHBondContact OG1-O 2.94Å
57G98.8Very high98.4Very high3 Ų344.8 Ų44.83%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-150.8141.4176.200000111.8C13 T69 C70C13-G57 VanDerWaalsContact SG-CA 3.6Å; C13-G57 PolarHBondContact SG-N 2.81Å; G57-T69 WeakPolarHBondContact O-CA 3.21Å; G57-C70 PolarHBondContact N-O 2.81Å; G57-C70 PolarHBondContact O-N 2.79Å
58I98.9Very high98.5Very high0 Ų041.1 Ų41.10%021%0.212CC..EExtended strand (participates in β ladder)trans-132.6139.4172.3-56.9161.9000106.7A15 A24 C26 V32 V55 I67 V68 T69 R103A15-I58 HydrophobicContact CB-CB 4.34Å; A15-I58 HydrophobicContact CB-CG2 3.74Å; A24-I58 HydrophobicContact CB-CG2 4.23Å; C26-I58 HydrophobicContact CB-CD1 4.05Å; V32-I58 HydrophobicContact CB-CD1 4.33Å; V32-I58 HydrophobicContact CG1-CD1 3.71Å; V32-I58 HydrophobicContact CG1-CG1 4.5Å; V32-I58 HydrophobicContact CG2-CD1 3.68Å; V32-I58 HydrophobicContact CG2-CG1 4Å; V55-I58 HydrophobicContact CG1-CD1 4.42Å; V55-I58 HydrophobicContact CG1-CG1 3.87Å; I58-I67 HydrophobicContact CG2-CG2 3.79Å; I58-V68 WeakPolarHBondContact CA-O 3.22Å; I58-T69 HydrophobicContact CG1-CG2 4.2Å; I58-T69 HydrophobicContact CG2-CG2 4.43Å; I58-R103 PolarHBondContact O-NH1 3.43Å; I58-R103 VanDerWaalsContact O-NH1 3.13Å
59D98.9Very high98.5Very high33 Ų3340.9 Ų40.918%0.17621%0.211CC..EExtended strand (participates in β ladder)trans-141.5150.5163.8-159.113.2000111.1I67 V68 R103 W104D59-I67 CarbonylContact O-C 3.54Å; D59-I67 WeakPolarHBondContact O-CA 3.44Å; D59-V68 HydrophobicContact CB-CG1 3.89Å; D59-V68 PolarHBondContact N-O 2.91Å; D59-V68 PolarHBondContact O-N 2.9Å; D59-R103 VanDerWaalsContact OD2-CA 3.23Å; D59-R103 WeakPolarHBondContact OD2-CA 3.33Å; D59-W104 PolarHBondContact OD2-N 3.29Å
60W98.8Very high98.5Very high9 Ų936 Ų363%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-125.3112.4-173.3-158-29.7000109.7A15 N17 Q22 A24 I34 P62 N65 I67 W86A15-W60 HydrophobicContact CB-CB 3.91Å; N17-W60 HydrophobicContact CB-CD2 3.89Å; N17-W60 HydrophobicContact CB-CE3 4.07Å; N17-W60 HydrophobicContact CB-CH2 3.88Å; N17-W60 HydrophobicContact CB-CZ2 3.67Å; N17-W60 HydrophobicContact CB-CZ3 4.07Å; Q22-W60 HydrophobicContact CB-CH2 3.97Å; Q22-W60 HydrophobicContact CB-CZ3 4.24Å; A24-W60 HydrophobicContact CB-CE3 3.99Å; A24-W60 HydrophobicContact CB-CZ3 3.9Å; I34-W60 HydrophobicContact CD1-CH2 4.15Å; I34-W60 HydrophobicContact CD1-CZ3 4.49Å; I34-W60 HydrophobicContact CG2-CH2 3.95Å; I34-W60 HydrophobicContact CG2-CZ3 4.15Å; W60-P62 VanDerWaalsContact O-CD 3.29Å; W60-P62 WeakPolarHBondContact O-CD 3.24Å; W60-N65 PolarHBondContact NE1-OD1 2.85Å; W60-I67 HydrophobicContact CB-CG1 4.39Å; W60-I67 HydrophobicContact CD2-CD1 3.84Å; W60-I67 HydrophobicContact CD2-CG1 3.5Å; W60-I67 HydrophobicContact CE3-CD1 3.92Å; W60-I67 HydrophobicContact CE3-CG1 4.02Å; W60-I67 HydrophobicContact CG-CG1 3.68Å; W60-I67 HydrophobicContact CH2-CD1 3.96Å; W60-I67 HydrophobicContact CZ2-CD1 3.87Å; W60-I67 HydrophobicContact CZ2-CG1 4.19Å; W60-I67 HydrophobicContact CZ3-CD1 3.98Å; W60-W86 HydrophobicContact CH2-CZ2 4.25Å; W60-W86 AromaticContact CZ2-CH2 3.8Å; W60-W86 HydrophobicContact CZ2-CH2 3.8Å; W60-W86 AromaticContact CZ2-CZ2 3.58Å; W60-W86 HydrophobicContact CZ2-CZ2 3.58Å; W60-W86 AromaticContact NE1-CH2 3.95Å
61A98.7Very high98.5Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-69.2113.6177.500000109.5S64 N65 R66 W104 E108A61-S64 WeakPolarHBondContact CB-OG 3.18Å; A61-N65 VanDerWaalsContact O-CA 3.3Å; A61-N65 WeakPolarHBondContact O-CA 3.39Å; A61-N65 PolarHBondContact O-N 3.09Å; A61-R66 HydrophobicContact CB-CB 4.37Å; A61-R66 WeakPolarHBondContact CB-O 3.37Å; A61-R66 PolarHBondContact N-O 2.83Å; A61-W104 HydrophobicContact CB-CD2 4Å; A61-W104 HydrophobicContact CB-CG 3.93Å; A61-E108 HydrophobicContact CB-CB 4.33Å; A61-E108 HydrophobicContact CB-CG 3.93Å; A61-E108 WeakPolarHBondContact CB-OE2 3.39Å
62P97.7Very high98.5Very high53 Ų5334.3 Ų34.334%0.34419%0.185SC..THydrogen-bonded Turntrans-66.4-38.6-169.923-33.7000115K18 W60 E108K18-P62 HydrophobicContact CB-CB 3.72Å; K18-P62 WeakPolarHBondContact CB-O 3.38Å; K18-P62 HydrophobicContact CD-CB 4.26Å; K18-P62 WeakPolarHBondContact CD-O 3.27Å; K18-P62 HydrophobicContact CG-CB 3.97Å; W60-P62 VanDerWaalsContact O-CD 3.29Å; W60-P62 WeakPolarHBondContact O-CD 3.24Å; P62-E108 WeakPolarHBondContact CD-OE1 3.4Å; P62-E108 VanDerWaalsContact CG-OE1 3.22Å; P62-E108 WeakPolarHBondContact CG-OE1 3.43Å
63E97.9Very high98.6Very high131 Ų13128.1 Ų28.161%0.61215%0.152SC*.THydrogen-bonded Turntrans-84.3-48.3-174.9-57.6-54139.400112K18 N65 E108K18-E63 WeakPolarHBondContact CD-OE1 3.3Å; K18-E63 WeakPolarHBondContact CE-OE1 3.46Å; K18-E63 IonicContact NZ-OE1 3.78Å; K18-E63 PolarHBondContact NZ-OE1 2.9Å; K18-E63 IonicContact NZ-OE2 3.91Å; K18-E63 PolarHBondContact NZ-OE2 3.33Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.23Å; E63-E108 WeakPolarHBondContact CB-OE1 3.34Å; E63-E108 PolarHBondContact N-OE1 3.29Å; E63-E108 PolarHBondContact N-OE2 2.73Å
64S97.8Very high98.6Very high49 Ų4933.8 Ų33.834%0.34317%0.17SC..THydrogen-bonded Turntrans-78.9-9.1179.5620000113.6A61 R66 E108A61-S64 WeakPolarHBondContact CB-OG 3.18Å; S64-R66 PolarHBondContact O-N 2.93Å; S64-R66 PolarHBondContact OG-NE 3.43Å; S64-R66 PolarHBondContact OG-NH2 2.92Å; S64-E108 WeakPolarHBondContact CB-OE2 3.25Å; S64-E108 PolarHBondContact N-OE2 2.88Å; S64-E108 PolarHBondContact OG-OE2 3.26Å
65N98.4Very high98.5Very high63 Ų6332 Ų3234%0.33716%0.163SC..THydrogen-bonded Turntrans50.842.4-177-167.831.3000112.7W60 A61 E63 W86W60-N65 PolarHBondContact NE1-OD1 2.85Å; A61-N65 VanDerWaalsContact O-CA 3.3Å; A61-N65 WeakPolarHBondContact O-CA 3.39Å; A61-N65 PolarHBondContact O-N 3.09Å; E63-N65 VanDerWaalsContact C-N 3.26Å; E63-N65 PolarHBondContact O-N 3.23Å; N65-W86 VanDerWaalsContact O-CH2 3.22Å; N65-W86 WeakPolarHBondContact O-CH2 3.41Å; N65-W86 WeakPolarHBondContact O-CZ3 3.38Å
66R98.7Very high98.5Very high48 Ų4831.9 Ų31.918%0.18116%0.163CC..EExtended strand (participates in β ladder)trans-105.3136.7175.3-69.9178-63.41695.9110A61 S64 V78 W79 W104 E108A61-R66 HydrophobicContact CB-CB 4.37Å; A61-R66 WeakPolarHBondContact CB-O 3.37Å; A61-R66 PolarHBondContact N-O 2.83Å; S64-R66 PolarHBondContact O-N 2.93Å; S64-R66 PolarHBondContact OG-NE 3.43Å; S64-R66 PolarHBondContact OG-NH2 2.92Å; R66-V78 HydrophobicContact CB-CG1 4.33Å; R66-W79 WeakPolarHBondContact CA-O 3.34Å; R66-W104 HydrophobicContact CB-CZ2 4.17Å; R66-E108 PolarHBondContact NH2-O 3.34Å
67I98.9Very high98.5Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-98.8136.5171.6-62.3168000107.6I34 L48 I58 D59 W60 T69 V78 W79 W86I34-I67 HydrophobicContact CD1-CD1 3.6Å; L48-I67 HydrophobicContact CD2-CD1 4.29Å; I58-I67 HydrophobicContact CG2-CG2 3.79Å; D59-I67 CarbonylContact O-C 3.54Å; D59-I67 WeakPolarHBondContact O-CA 3.44Å; W60-I67 HydrophobicContact CB-CG1 4.39Å; W60-I67 HydrophobicContact CD2-CD1 3.84Å; W60-I67 HydrophobicContact CD2-CG1 3.5Å; W60-I67 HydrophobicContact CE3-CD1 3.92Å; W60-I67 HydrophobicContact CE3-CG1 4.02Å; W60-I67 HydrophobicContact CG-CG1 3.68Å; W60-I67 HydrophobicContact CH2-CD1 3.96Å; W60-I67 HydrophobicContact CZ2-CD1 3.87Å; W60-I67 HydrophobicContact CZ2-CG1 4.19Å; W60-I67 HydrophobicContact CZ3-CD1 3.98Å; I67-T69 HydrophobicContact CG2-CG2 3.89Å; I67-V78 CarbonylContact O-C 3.56Å; I67-V78 WeakPolarHBondContact O-CA 3.37Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 3.32Å; I67-W79 VanDerWaalsContact N-O 3.17Å; I67-W79 PolarHBondContact O-N 2.99Å; I67-W86 HydrophobicContact CB-CZ3 4.32Å; I67-W86 HydrophobicContact CD1-CD2 4.31Å; I67-W86 HydrophobicContact CD1-CE3 4.21Å; I67-W86 HydrophobicContact CD1-CH2 3.69Å; I67-W86 HydrophobicContact CD1-CZ2 3.83Å; I67-W86 HydrophobicContact CD1-CZ3 3.9Å; I67-W86 HydrophobicContact CG1-CH2 3.82Å; I67-W86 HydrophobicContact CG1-CZ2 4.44Å; I67-W86 HydrophobicContact CG1-CZ3 3.87Å
68V98.9Very high98.6Very high0 Ų031.9 Ų31.90%016%0.16CC..EExtended strand (participates in β ladder)trans-111.5135.3166.167.70000109.1I58 D59 Y77 V78 V102 W104 F111I58-V68 WeakPolarHBondContact CA-O 3.22Å; D59-V68 HydrophobicContact CB-CG1 3.89Å; D59-V68 PolarHBondContact N-O 2.91Å; D59-V68 PolarHBondContact O-N 2.9Å; V68-Y77 WeakPolarHBondContact CA-O 3.25Å; V68-V78 HydrophobicContact CG2-CG2 4.19Å; V68-V102 HydrophobicContact CB-CG2 4.32Å; V68-V102 HydrophobicContact CG1-CB 4.45Å; V68-V102 HydrophobicContact CG1-CG1 4.06Å; V68-V102 HydrophobicContact CG1-CG2 3.51Å; V68-V102 HydrophobicContact CG2-CG2 3.82Å; V68-W104 HydrophobicContact CB-CZ2 4.05Å; V68-W104 HydrophobicContact CG1-CD2 4.47Å; V68-W104 HydrophobicContact CG1-CG 4.27Å; V68-W104 VanDerWaalsContact CG1-NE1 3.26Å; V68-F111 HydrophobicContact CG2-CD1 4.34Å; V68-F111 HydrophobicContact CG2-CD2 3.94Å; V68-F111 HydrophobicContact CG2-CE1 4.21Å; V68-F111 HydrophobicContact CG2-CE2 3.8Å; V68-F111 HydrophobicContact CG2-CG 4.19Å; V68-F111 HydrophobicContact CG2-CZ 3.92Å
69T98.9Very high98.5Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-125.4147176.162.70000109.9V32 H51 G57 I58 I67 A76 Y77 W79V32-T69 HydrophobicContact CG2-CG2 3.93Å; H51-T69 PolarHBondContact CD2-OG1 2.61Å; H51-T69 WeakPolarHBondContact NE2-CB 3.19Å; H51-T69 PolarHBondContact NE2-OG1 3.27Å; G57-T69 WeakPolarHBondContact O-CA 3.21Å; I58-T69 HydrophobicContact CG1-CG2 4.2Å; I58-T69 HydrophobicContact CG2-CG2 4.43Å; I67-T69 HydrophobicContact CG2-CG2 3.89Å; T69-A76 CarbonylContact O-C 3.55Å; T69-A76 WeakPolarHBondContact O-CA 3.35Å; T69-A76 WeakPolarHBondContact O-CB 3.35Å; T69-Y77 PolarHBondContact N-O 2.9Å; T69-Y77 PolarHBondContact O-N 3.07Å; T69-W79 PolarHBondContact OG1-NE1 3.5Å
70C98.9Very high98.5Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-135.1147.2171.173.70000110.9T56 G57 N75 A76 A99 V102 V113T56-C70 PolarHBondContact N-O 2.73Å; T56-C70 PolarHBondContact OG1-O 2.91Å; G57-C70 PolarHBondContact N-O 2.81Å; G57-C70 PolarHBondContact O-N 2.79Å; C70-N75 WeakPolarHBondContact CA-O 3.1Å; C70-A76 HydrophobicContact CB-CB 4.37Å; C70-A99 HydrophobicContact CB-CB 3.64Å; C70-V102 HydrophobicContact CB-CB 4.25Å; C70-V102 HydrophobicContact CB-CG1 4.33Å; C70-V113 HydrophobicContact CB-CG1 4.12Å
71G98.6Very high98.5Very high0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-139.1175.2-172.200000115.7Q54 D73 R74 N75 A99Q54-G71 CarbonylContact O-C 3.51Å; Q54-G71 WeakPolarHBondContact O-CA 3.48Å; G71-D73 PolarHBondContact O-N 2.93Å; G71-R74 PolarHBondContact O-N 3.08Å; G71-N75 PolarHBondContact N-O 3.03Å; G71-A99 WeakPolarHBondContact O-CB 3.49Å; G71-A99 PolarHBondContact O-N 2.8Å; G71-A99 VanDerWaalsContact O-N 3.09Å
72T98.8Very high98.4Very high57 Ų5742.3 Ų42.335%0.3521%0.21SC..THydrogen-bonded Turntrans-69.8-16.2176.361.30000113.3G53 Q54 T56 R74 A98G53-T72 WeakPolarHBondContact CA-OG1 3.43Å; Q54-T72 HydrophobicContact CB-CG2 4.26Å; Q54-T72 PolarHBondContact N-OG1 2.77Å; Q54-T72 PolarHBondContact O-N 2.85Å; T56-T72 HydrophobicContact CG2-CG2 3.68Å; T72-R74 PolarHBondContact O-N 2.85Å; T72-A98 HydrophobicContact CG2-CB 4.18Å
73D98.3Very high98.3Very high23 Ų2343.2 Ų43.212%0.12323%0.23CC..THydrogen-bonded Turntrans-68.7-3.1170.864.4-2.3000114.1H51 N52 G71 N75H51-D73 VanDerWaalsContact CA-OD2 3.26Å; H51-D73 WeakPolarHBondContact CA-OD2 2.92Å; H51-D73 WeakPolarHBondContact CB-OD2 3.47Å; H51-D73 IonicContact CE1-OD1 2.61Å; H51-D73 IonicContact CG-OD2 3.17Å; H51-D73 IonicContact ND1-OD1 2.74Å; H51-D73 PolarHBondContact ND1-OD1 3.01Å; H51-D73 VanDerWaalsContact ND1-OD1 3.12Å; H51-D73 IonicContact ND1-OD2 2.86Å; H51-D73 PolarHBondContact ND1-OD2 3Å; N52-D73 HydrophobicContact CB-CB 4.35Å; N52-D73 PolarHBondContact N-OD2 3.15Å; G71-D73 PolarHBondContact O-N 2.93Å; D73-N75 VanDerWaalsContact C-N 3.25Å; D73-N75 PolarHBondContact O-N 2.99Å; D73-N75 PolarHBondContact OD1-N 3.03Å; D73-N75 VanDerWaalsContact OD1-N 3.1Å
74R98.3Very high98.2Very high132 Ų13247.7 Ų47.750%0.49824%0.241SC..SBendtrans76.67.2177.7-44.7171.6-71.4-170.30.2114G71 T72 I95 R97G71-R74 PolarHBondContact O-N 3.08Å; T72-R74 PolarHBondContact O-N 2.85Å; R74-I95 HydrophobicContact CB-CD1 4.44Å; R74-I95 HydrophobicContact CB-CG1 4.13Å; R74-R97 WeakPolarHBondContact CG-O 3.21Å
75N97.8Very high98.2Very high48 Ų4849 Ų4926%0.25725%0.247SC..  trans-99159.5-179.9-65.1-28000110.9C70 G71 D73 Y77 L90C70-N75 WeakPolarHBondContact CA-O 3.1Å; G71-N75 PolarHBondContact N-O 3.03Å; D73-N75 VanDerWaalsContact C-N 3.25Å; D73-N75 PolarHBondContact O-N 2.99Å; D73-N75 PolarHBondContact OD1-N 3.03Å; D73-N75 VanDerWaalsContact OD1-N 3.1Å; N75-Y77 HydrophobicContact CB-CE2 4.16Å; N75-L90 HydrophobicContact CB-CD1 3.99Å
76A98.8Very high98.2Very high0 Ų046.6 Ų46.60%023%0.233CC..EExtended strand (participates in β ladder)trans-124.3148.8158.400000109.4T69 C70 V91 L93T69-A76 CarbonylContact O-C 3.55Å; T69-A76 WeakPolarHBondContact O-CA 3.35Å; T69-A76 WeakPolarHBondContact O-CB 3.35Å; C70-A76 HydrophobicContact CB-CB 4.37Å; A76-V91 HydrophobicContact CB-CB 4.28Å; A76-V91 PolarHBondContact O-N 2.86Å; A76-L93 HydrophobicContact CB-CD1 3.91Å; A76-L93 HydrophobicContact CB-CD2 3.91Å; A76-L93 HydrophobicContact CB-CG 4.02Å
77Y98.9Very high98.2Very high21 Ų2149.5 Ų49.58%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-124.4135.6173.4-65.8-77.6000109.8E50 H51 V68 T69 N75 P88 T89 L90E50-Y77 HydrophobicContact CB-CD2 4.28Å; E50-Y77 HydrophobicContact CB-CE1 4.43Å; E50-Y77 HydrophobicContact CB-CE2 4.01Å; E50-Y77 HydrophobicContact CG-CD1 4.09Å; E50-Y77 HydrophobicContact CG-CD2 4.4Å; E50-Y77 HydrophobicContact CG-CE1 3.56Å; E50-Y77 HydrophobicContact CG-CE2 3.91Å; E50-Y77 HydrophobicContact CG-CG 4.48Å; E50-Y77 VanDerWaalsContact CG-CZ 3.45Å; E50-Y77 PolarHBondContact O-OH 2.95Å; H51-Y77 AromaticContact CD2-CD2 3.81Å; H51-Y77 AromaticContact CE1-CD2 3.53Å; H51-Y77 AromaticContact CE1-CE2 3.84Å; H51-Y77 AromaticContact CG-CE2 3.97Å; H51-Y77 AromaticContact ND1-CD2 3.86Å; H51-Y77 AromaticContact ND1-CE2 3.73Å; H51-Y77 AromaticContact NE2-CD2 3.5Å; V68-Y77 WeakPolarHBondContact CA-O 3.25Å; T69-Y77 PolarHBondContact N-O 2.9Å; T69-Y77 PolarHBondContact O-N 3.07Å; N75-Y77 HydrophobicContact CB-CE2 4.16Å; Y77-P88 HydrophobicContact CD1-CB 3.83Å; Y77-P88 HydrophobicContact CG-CB 4.15Å; Y77-T89 WeakPolarHBondContact CA-O 3.37Å; Y77-L90 HydrophobicContact CD1-CB 4.21Å; Y77-L90 HydrophobicContact CD1-CD1 4.2Å; Y77-L90 HydrophobicContact CE1-CB 3.9Å; Y77-L90 HydrophobicContact CE1-CD1 3.6Å; Y77-L90 HydrophobicContact CE1-CG 4.34Å
78V98.8Very high98.2Very high2 Ų251.3 Ų51.31%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-98.7117165.7176.50000107.8R66 I67 V68 P88 T89 V91 W104 F111 W132R66-V78 HydrophobicContact CB-CG1 4.33Å; I67-V78 CarbonylContact O-C 3.56Å; I67-V78 WeakPolarHBondContact O-CA 3.37Å; V68-V78 HydrophobicContact CG2-CG2 4.19Å; V78-P88 CarbonylContact O-C 3.47Å; V78-T89 PolarHBondContact N-O 2.97Å; V78-T89 PolarHBondContact O-N 2.74Å; V78-V91 HydrophobicContact CG2-CG2 3.83Å; V78-W104 HydrophobicContact CG1-CH2 4.43Å; V78-W104 HydrophobicContact CG1-CZ2 4.17Å; V78-W104 HydrophobicContact CG2-CH2 4.41Å; V78-W104 HydrophobicContact CG2-CZ2 4.29Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.61Å; V78-F111 HydrophobicContact CG2-CZ 4Å; V78-W132 HydrophobicContact CB-CZ2 4.25Å; V78-W132 HydrophobicContact CG1-CZ2 3.95Å; V78-W132 HydrophobicContact CG2-CD2 4.27Å; V78-W132 HydrophobicContact CG2-CH2 4.4Å; V78-W132 HydrophobicContact CG2-CZ2 3.82Å
79W98.8Very high98.2Very high5 Ų554.2 Ų54.22%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-96.6128.6-178.4-55.782000109.7L48 E50 R66 I67 T69 W86 K87 P88L48-W79 HydrophobicContact CB-CD2 4.3Å; L48-W79 HydrophobicContact CB-CE3 4.1Å; L48-W79 HydrophobicContact CB-CH2 3.64Å; L48-W79 HydrophobicContact CB-CZ2 3.88Å; L48-W79 HydrophobicContact CB-CZ3 3.76Å; L48-W79 HydrophobicContact CD2-CB 4.17Å; L48-W79 HydrophobicContact CD2-CD2 3.46Å; L48-W79 VanDerWaalsContact CD2-CD2 3.46Å; L48-W79 HydrophobicContact CD2-CE3 3.74Å; L48-W79 HydrophobicContact CD2-CG 3.66Å; L48-W79 HydrophobicContact CD2-CZ2 4.39Å; L48-W79 HydrophobicContact CD2-CZ3 4.29Å; L48-W79 HydrophobicContact CG-CD2 3.86Å; L48-W79 HydrophobicContact CG-CE3 3.59Å; L48-W79 HydrophobicContact CG-CH2 4.1Å; L48-W79 HydrophobicContact CG-CZ2 4.36Å; L48-W79 HydrophobicContact CG-CZ3 3.72Å; E50-W79 HydrophobicContact CB-CH2 3.55Å; E50-W79 HydrophobicContact CB-CZ2 3.88Å; R66-W79 WeakPolarHBondContact CA-O 3.34Å; I67-W79 HydrophobicContact CB-CB 4.15Å; I67-W79 PolarHBondContact N-O 3.32Å; I67-W79 VanDerWaalsContact N-O 3.17Å; I67-W79 PolarHBondContact O-N 2.99Å; T69-W79 PolarHBondContact OG1-NE1 3.5Å; W79-W86 HydrophobicContact CB-CE3 3.69Å; W79-W86 HydrophobicContact CB-CZ3 4.3Å; W79-W86 HydrophobicContact CE3-CB 4.13Å; W79-W86 WeakPolarHBondContact O-CZ3 3.35Å; W79-K87 WeakPolarHBondContact CA-O 3.35Å; W79-P88 HydrophobicContact CD2-CB 3.9Å; W79-P88 HydrophobicContact CE3-CB 3.65Å; W79-P88 HydrophobicContact CE3-CG 4.05Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 3.96Å; W79-P88 HydrophobicContact CZ2-CB 4.03Å; W79-P88 HydrophobicContact CZ3-CB 3.62Å; W79-P88 HydrophobicContact CZ3-CG 3.62Å
80T98.4Very high98.1Very high51 Ų5157.4 Ų57.431%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-117.3131.9174.2-56.80000109.2K82 K87T80-K82 PolarHBondContact O-N 2.84Å; T80-K87 PolarHBondContact N-O 3.04Å; T80-K87 PolarHBondContact O-N 2.74Å
81L98.1Very high98.1Very high60 Ų6057.4 Ų57.431%0.31429%0.293SS..EExtended strand (participates in β ladder)trans-76.3109.2175.8-17759000110W86L81-W86 HydrophobicContact CB-CD2 4.06Å; L81-W86 HydrophobicContact CB-CE3 4.07Å; L81-W86 HydrophobicContact CB-CH2 4.12Å; L81-W86 HydrophobicContact CB-CZ2 4.07Å; L81-W86 HydrophobicContact CB-CZ3 4.11Å; L81-W86 HydrophobicContact CD1-CD2 4.24Å; L81-W86 HydrophobicContact CD1-CG 4.18Å; L81-W86 HydrophobicContact CD2-CZ2 4.32Å
82K97.3Very high98.1Very high145 Ų14561.5 Ų61.563%0.6331%0.314SS*.EExtended strand (participates in β ladder)trans-105.6105.8173.8-66.1-168.7179-177.20109.1T80 R84 T85 K87T80-K82 PolarHBondContact O-N 2.84Å; K82-R84 PolarHBondContact O-N 2.78Å; K82-R84 VanDerWaalsContact O-N 3.12Å; K82-T85 PolarHBondContact N-O 2.96Å; K82-T85 PolarHBondContact O-N 2.9Å; K82-K87 HydrophobicContact CB-CG 4.28Å; K82-K87 HydrophobicContact CD-CG 4.25Å; K82-K87 HydrophobicContact CG-CG 4.36Å
83G96.1Very high98Very high73 Ų7359 Ų5975%0.75330%0.298SS*.THydrogen-bonded Turntrans66-107.1-172.800000111.2
84R95.5Very high98Very high225 Ų22565.3 Ų65.385%0.84932%0.321SS*.THydrogen-bonded Turntrans-111.67.7178.6-63.5-175.7180178.5-0113.7H46 K82H46-R84 PolarHBondContact CE1-O 3.47Å; K82-R84 PolarHBondContact O-N 2.78Å; K82-R84 VanDerWaalsContact O-N 3.12Å
85T97.3Very high98Very high75 Ų7560 Ų6046%0.4630%0.302SS..EExtended strand (participates in β ladder)trans-128.3129.2-173.1-51.80000110.9K82 K87K82-T85 PolarHBondContact N-O 2.96Å; K82-T85 PolarHBondContact O-N 2.9Å; T85-K87 HydrophobicContact CG2-CD 4.39Å
86W98.6Very high98Very high14 Ų1462.3 Ų62.35%0.05332%0.315CS..EExtended strand (participates in β ladder)trans-73.1127.3170.8-70.691.2000109.9I34 H46 L48 W60 N65 I67 W79 L81I34-W86 HydrophobicContact CD1-CZ2 4.32Å; H46-W86 AromaticContact CD2-CD1 3.74Å; H46-W86 AromaticContact CD2-NE1 3.44Å; H46-W86 PolarHBondContact CD2-NE1 2.84Å; H46-W86 AromaticContact CG-CD1 3.65Å; H46-W86 AromaticContact CG-NE1 3.85Å; H46-W86 AromaticContact NE2-NE1 3.8Å; L48-W86 HydrophobicContact CD1-CB 3.83Å; L48-W86 HydrophobicContact CD1-CG 3.87Å; L48-W86 HydrophobicContact CD2-CB 4.34Å; L48-W86 HydrophobicContact CD2-CG 4.47Å; L48-W86 HydrophobicContact CG-CB 3.95Å; L48-W86 HydrophobicContact CG-CG 4.36Å; W60-W86 HydrophobicContact CH2-CZ2 4.25Å; W60-W86 AromaticContact CZ2-CH2 3.8Å; W60-W86 HydrophobicContact CZ2-CH2 3.8Å; W60-W86 AromaticContact CZ2-CZ2 3.58Å; W60-W86 HydrophobicContact CZ2-CZ2 3.58Å; W60-W86 AromaticContact NE1-CH2 3.95Å; N65-W86 VanDerWaalsContact O-CH2 3.22Å; N65-W86 WeakPolarHBondContact O-CH2 3.41Å; N65-W86 WeakPolarHBondContact O-CZ3 3.38Å; I67-W86 HydrophobicContact CB-CZ3 4.32Å; I67-W86 HydrophobicContact CD1-CD2 4.31Å; I67-W86 HydrophobicContact CD1-CE3 4.21Å; I67-W86 HydrophobicContact CD1-CH2 3.69Å; I67-W86 HydrophobicContact CD1-CZ2 3.83Å; I67-W86 HydrophobicContact CD1-CZ3 3.9Å; I67-W86 HydrophobicContact CG1-CH2 3.82Å; I67-W86 HydrophobicContact CG1-CZ2 4.44Å; I67-W86 HydrophobicContact CG1-CZ3 3.87Å; W79-W86 HydrophobicContact CB-CE3 3.69Å; W79-W86 HydrophobicContact CB-CZ3 4.3Å; W79-W86 HydrophobicContact CE3-CB 4.13Å; W79-W86 WeakPolarHBondContact O-CZ3 3.35Å; L81-W86 HydrophobicContact CB-CD2 4.06Å; L81-W86 HydrophobicContact CB-CE3 4.07Å; L81-W86 HydrophobicContact CB-CH2 4.12Å; L81-W86 HydrophobicContact CB-CZ2 4.07Å; L81-W86 HydrophobicContact CB-CZ3 4.11Å; L81-W86 HydrophobicContact CD1-CD2 4.24Å; L81-W86 HydrophobicContact CD1-CG 4.18Å; L81-W86 HydrophobicContact CD2-CZ2 4.32Å
87K98.5Very high98Very high108 Ų10869.2 Ų69.247%0.4734%0.34SS..EExtended strand (participates in β ladder)trans-114122.9178.8-66.1-62.6-173.5179.30109.7W79 T80 K82 T85W79-K87 WeakPolarHBondContact CA-O 3.35Å; T80-K87 PolarHBondContact N-O 3.04Å; T80-K87 PolarHBondContact O-N 2.74Å; K82-K87 HydrophobicContact CB-CG 4.28Å; K82-K87 HydrophobicContact CD-CG 4.25Å; K82-K87 HydrophobicContact CG-CG 4.36Å; T85-K87 HydrophobicContact CG2-CD 4.39Å
88P98.5Very high98Very high39 Ų3970 Ų7025%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-77.9147.8178.629-28.8000111E50 Y77 V78 W79E50-P88 HydrophobicContact CB-CB 4.32Å; E50-P88 HydrophobicContact CB-CG 4.1Å; E50-P88 HydrophobicContact CG-CB 4.1Å; E50-P88 HydrophobicContact CG-CG 3.76Å; E50-P88 WeakPolarHBondContact OE2-CG 3.23Å; Y77-P88 HydrophobicContact CD1-CB 3.83Å; Y77-P88 HydrophobicContact CG-CB 4.15Å; V78-P88 CarbonylContact O-C 3.47Å; W79-P88 HydrophobicContact CD2-CB 3.9Å; W79-P88 HydrophobicContact CE3-CB 3.65Å; W79-P88 HydrophobicContact CE3-CG 4.05Å; W79-P88 HydrophobicContact CH2-CB 3.82Å; W79-P88 HydrophobicContact CH2-CG 3.96Å; W79-P88 HydrophobicContact CZ2-CB 4.03Å; W79-P88 HydrophobicContact CZ3-CB 3.62Å; W79-P88 HydrophobicContact CZ3-CG 3.62Å
89T98.4Very high98Very high61 Ų6169.9 Ų69.937%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-122.8122.6165.3-55.50000107.5Y77 V78Y77-T89 WeakPolarHBondContact CA-O 3.37Å; V78-T89 PolarHBondContact N-O 2.97Å; V78-T89 PolarHBondContact O-N 2.74Å
90L98.3Very high98Very high66 Ų6674.6 Ų74.635%0.34637%0.368SS..EExtended strand (participates in β ladder)trans-67.5133.4-179.1177.964.4000110.7N75 Y77N75-L90 HydrophobicContact CB-CD1 3.99Å; Y77-L90 HydrophobicContact CD1-CB 4.21Å; Y77-L90 HydrophobicContact CD1-CD1 4.2Å; Y77-L90 HydrophobicContact CE1-CB 3.9Å; Y77-L90 HydrophobicContact CE1-CD1 3.6Å; Y77-L90 HydrophobicContact CE1-CG 4.34Å
91V98.4Very high98Very high0 Ų072.7 Ų72.70%036%0.357CS..EExtended strand (participates in β ladder)trans-113.3119.3171.3-176.90000109.9A76 V78 L93 F111 C123 W132A76-V91 HydrophobicContact CB-CB 4.28Å; A76-V91 PolarHBondContact O-N 2.86Å; V78-V91 HydrophobicContact CG2-CG2 3.83Å; V91-L93 HydrophobicContact CG1-CD2 4.26Å; V91-L93 PolarHBondContact O-N 3.36Å; V91-L93 VanDerWaalsContact O-N 3.15Å; V91-F111 HydrophobicContact CB-CZ 4.25Å; V91-F111 HydrophobicContact CG1-CZ 3.95Å; V91-F111 HydrophobicContact CG2-CZ 4.01Å; V91-C123 HydrophobicContact CG1-CB 4.18Å; V91-W132 HydrophobicContact CB-CB 4.17Å; V91-W132 HydrophobicContact CG1-CB 3.74Å; V91-W132 HydrophobicContact CG1-CG 4.39Å; V91-W132 HydrophobicContact CG2-CB 3.67Å; V91-W132 HydrophobicContact CG2-CD2 4.05Å; V91-W132 HydrophobicContact CG2-CG 3.52Å
92I97.4Very high98.1Very high87 Ų8769.9 Ų69.945%0.44634%0.342SS..  trans-80.998.9-179.4-56.3177.2000109.1R94 W131 C134I92-R94 VanDerWaalsContact C-N 3.25Å; I92-R94 HydrophobicContact CG2-CG 3.96Å; I92-R94 PolarHBondContact O-N 2.83Å; I92-W131 HydrophobicContact CD1-CZ2 4.14Å; I92-C134 PolarHBondContact O-SG 3.1Å
93L98.1Very high98.1Very high3 Ų365.7 Ų65.72%0.01632%0.323CS..  trans-72.4-15.2-179.2-62-178.7000113.9A76 V91 I95 A99 V113 S121 C123 H136A76-L93 HydrophobicContact CB-CD1 3.91Å; A76-L93 HydrophobicContact CB-CD2 3.91Å; A76-L93 HydrophobicContact CB-CG 4.02Å; V91-L93 HydrophobicContact CG1-CD2 4.26Å; V91-L93 PolarHBondContact O-N 3.36Å; V91-L93 VanDerWaalsContact O-N 3.15Å; L93-I95 HydrophobicContact CB-CD1 4.04Å; L93-I95 HydrophobicContact CB-CG1 3.88Å; L93-I95 HydrophobicContact CB-CG2 4.23Å; L93-I95 HydrophobicContact CD1-CD1 3.67Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 PolarHBondContact O-N 3.13Å; L93-A99 HydrophobicContact CD1-CB 4.22Å; L93-V113 HydrophobicContact CD1-CB 4.36Å; L93-V113 HydrophobicContact CD1-CG1 3.85Å; L93-V113 HydrophobicContact CD1-CG2 4.4Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; L93-S121 PolarHBondContact O-OG 3.43Å; L93-C123 VanDerWaalsContact CD2-SG 3.59Å; L93-H136 PolarHBondContact O-NE2 2.85Å
94R98.1Very high98.3Very high156 Ų15662.9 Ų62.959%0.58929%0.29SS*.  trans55.532.4-175.2-55.6-175.6-66.9135-4.6113.5I92 C134 H136I92-R94 VanDerWaalsContact C-N 3.25Å; I92-R94 HydrophobicContact CG2-CG 3.96Å; I92-R94 PolarHBondContact O-N 2.83Å; R94-C134 PolarHBondContact NE-SG 2.95Å; R94-C134 VanDerWaalsContact NE-SG 3.4Å; R94-C134 PolarHBondContact NH2-O 2.87Å; R94-H136 PolarHBondContact O-CE1 3.11Å
95I98.3Very high98.4Very high21 Ų2152.3 Ų52.311%0.10825%0.25CC..  trans-103.6157.5176.564.6-179.4000111.3R74 L93 R97 A99 V119R74-I95 HydrophobicContact CB-CD1 4.44Å; R74-I95 HydrophobicContact CB-CG1 4.13Å; L93-I95 HydrophobicContact CB-CD1 4.04Å; L93-I95 HydrophobicContact CB-CG1 3.88Å; L93-I95 HydrophobicContact CB-CG2 4.23Å; L93-I95 HydrophobicContact CD1-CD1 3.67Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 PolarHBondContact O-N 3.13Å; I95-R97 VanDerWaalsContact CD1-O 3.32Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; I95-A99 HydrophobicContact CD1-CB 4.11Å; I95-V119 HydrophobicContact CG2-CG1 3.88Å
96N97.9Very high98.5Very high97 Ų9751.8 Ų51.852%0.51925%0.248SC..SBendtrans-118.612.3-17871.3-10.8000113.7S117N96-S117 PolarHBondContact N-OG 2.84Å; N96-S117 PolarHBondContact OD1-OG 3.07Å
97R98.6Very high98.5Very high144 Ų14456.1 Ų56.154%0.54327%0.272SS..SBendtrans-141.3165.8175.8-65.2-65.4-175.5-81.81.7108.9R74 I95 S117R74-R97 WeakPolarHBondContact CG-O 3.21Å; I95-R97 VanDerWaalsContact CD1-O 3.32Å; I95-R97 WeakPolarHBondContact CD1-O 3.48Å; R97-S117 WeakPolarHBondContact CB-OG 3.18Å; R97-S117 PolarHBondContact N-OG 3.25Å
98A98.6Very high98.5Very high37 Ų3751.6 Ų51.631%0.30625%0.253SS..  trans-49.1138.4179.700000112.7T72 S115 G116T72-A98 HydrophobicContact CG2-CB 4.18Å; A98-S115 WeakPolarHBondContact O-CA 3.33Å; A98-G116 PolarHBondContact O-N 3.22Å
99A98.8Very high98.4Very high1 Ų151.5 Ų51.51%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-73.7146.3161.500000108.8T56 C70 G71 L93 I95 V113T56-A99 PolarHBondContact OG1-O 3.23Å; C70-A99 HydrophobicContact CB-CB 3.64Å; G71-A99 WeakPolarHBondContact O-CB 3.49Å; G71-A99 PolarHBondContact O-N 2.8Å; G71-A99 VanDerWaalsContact O-N 3.09Å; L93-A99 HydrophobicContact CD1-CB 4.22Å; I95-A99 HydrophobicContact CD1-CB 4.11Å; A99-V113 HydrophobicContact CB-CG1 3.71Å
100R98.8Very high98.5Very high103 Ų10348.6 Ų48.639%0.38923%0.232SC..EExtended strand (participates in β ladder)trans-122.2-35.3-171.5179.658.9-16794.9-5113.7T56 G114 T144 V145 L146T56-R100 WeakPolarHBondContact CB-O 3.01Å; T56-R100 PolarHBondContact O-NH1 2.83Å; T56-R100 WeakPolarHBondContact OG1-CA 3.43Å; T56-R100 PolarHBondContact OG1-O 2.94Å; R100-G114 PolarHBondContact N-O 3.25Å; R100-T144 HydrophobicContact CB-CG2 4.45Å; R100-T144 HydrophobicContact CG-CG2 4.42Å; R100-V145 WeakPolarHBondContact CB-O 3.43Å; R100-V145 WeakPolarHBondContact CG-O 3.45Å; R100-L146 HydrophobicContact CG-CD2 4.2Å
101C98.8Very high98.5Very high12 Ų1245.4 Ų45.48%0.08122%0.216CC..EExtended strand (participates in β ladder)trans-151.1151.6-179.852.30000109.8V113 G114 L146C101-V113 CarbonylContact O-C 3.55Å; C101-V113 VanDerWaalsContact O-CA 3.31Å; C101-V113 WeakPolarHBondContact O-CA 3.31Å; C101-G114 PolarHBondContact N-O 2.75Å; C101-G114 PolarHBondContact O-N 3.21Å; C101-L146 WeakPolarHBondContact CB-O 2.77Å; C101-L146 VanDerWaalsContact SG-C 3.6Å; C101-L146 PolarHBondContact SG-O 3.33Å
102V98.9Very high98.5Very high0 Ų045.4 Ų45.40%022%0.216CC..EExtended strand (participates in β ladder)trans-141.4141.3176.963.40000111.2V68 C70 F111 A112 V113V68-V102 HydrophobicContact CB-CG2 4.32Å; V68-V102 HydrophobicContact CG1-CB 4.45Å; V68-V102 HydrophobicContact CG1-CG1 4.06Å; V68-V102 HydrophobicContact CG1-CG2 3.51Å; V68-V102 HydrophobicContact CG2-CG2 3.82Å; C70-V102 HydrophobicContact CB-CB 4.25Å; C70-V102 HydrophobicContact CB-CG1 4.33Å; V102-F111 HydrophobicContact CG2-CD2 3.82Å; V102-F111 HydrophobicContact CG2-CE2 4.47Å; V102-A112 VanDerWaalsContact CA-O 3.25Å; V102-A112 WeakPolarHBondContact CA-O 3.46Å; V102-A112 WeakPolarHBondContact CG2-O 3.47Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.78Å
103R98.9Very high98.6Very high57 Ų5741.3 Ų41.322%0.21519%0.194CC..EExtended strand (participates in β ladder)trans-142.7130.6172.9-66.4-65.7175.5-118.911.8112.3I58 D59 F111 A112 L148 W150 Q331I58-R103 PolarHBondContact O-NH1 3.43Å; I58-R103 VanDerWaalsContact O-NH1 3.13Å; D59-R103 VanDerWaalsContact OD2-CA 3.23Å; D59-R103 WeakPolarHBondContact OD2-CA 3.33Å; R103-F111 CarbonylContact O-C 3.57Å; R103-F111 VanDerWaalsContact O-CA 3.25Å; R103-F111 WeakPolarHBondContact O-CA 3.46Å; R103-F111 WeakPolarHBondContact O-CB 3.18Å; R103-A112 PolarHBondContact N-O 3.13Å; R103-A112 PolarHBondContact O-N 3.4Å; R103-L148 HydrophobicContact CG-CB 4.22Å; R103-L148 WeakPolarHBondContact CG-O 3.19Å; R103-W150 PolarHBondContact O-NE1 2.98Å; R103-Q331 VanDerWaalsContact NH2-NE2 3.14Å
104W98.9Very high98.6Very high15 Ų1541.1 Ų41.16%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-64.5141.3163.5-78.7109.2000110D59 A61 R66 V68 V78 E108 F111 W132 W150D59-W104 PolarHBondContact OD2-N 3.29Å; A61-W104 HydrophobicContact CB-CD2 4Å; A61-W104 HydrophobicContact CB-CG 3.93Å; R66-W104 HydrophobicContact CB-CZ2 4.17Å; V68-W104 HydrophobicContact CB-CZ2 4.05Å; V68-W104 HydrophobicContact CG1-CD2 4.47Å; V68-W104 HydrophobicContact CG1-CG 4.27Å; V68-W104 VanDerWaalsContact CG1-NE1 3.26Å; V78-W104 HydrophobicContact CG1-CH2 4.43Å; V78-W104 HydrophobicContact CG1-CZ2 4.17Å; V78-W104 HydrophobicContact CG2-CH2 4.41Å; V78-W104 HydrophobicContact CG2-CZ2 4.29Å; W104-E108 WeakPolarHBondContact CZ3-O 3.26Å; W104-F111 HydrophobicContact CD2-CB 4.02Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.11Å; W104-F111 HydrophobicContact CE3-CG 4.48Å; W104-F111 HydrophobicContact CG-CB 4.43Å; W104-F111 AromaticContact CH2-CD1 3.7Å; W104-F111 HydrophobicContact CH2-CD1 3.7Å; W104-F111 HydrophobicContact CH2-CE1 4.23Å; W104-F111 HydrophobicContact CZ2-CD1 4.14Å; W104-F111 HydrophobicContact CZ3-CB 4.3Å; W104-F111 AromaticContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CG 4.48Å; W104-W132 AromaticContact CH2-CH2 3.44Å; W104-W132 HydrophobicContact CH2-CH2 3.44Å; W104-W132 VanDerWaalsContact CH2-CH2 3.44Å; W104-W132 AromaticContact CH2-CZ2 4Å; W104-W132 HydrophobicContact CH2-CZ2 4Å; W104-W132 HydrophobicContact CH2-CZ3 4.26Å; W104-W132 AromaticContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CZ3 4.38Å; W104-W150 PolarHBondContact O-NE1 3.27Å
105A98.8Very high98.7Very high2 Ų233.7 Ų33.72%0.01717%0.166CC..  trans-74.3154.1168.200000109.9N107 E108 K110 W150 N154A105-N107 PolarHBondContact O-N 3.33Å; A105-N107 VanDerWaalsContact O-N 3.13Å; A105-E108 WeakPolarHBondContact O-CA 3.33Å; A105-E108 PolarHBondContact O-N 2.83Å; A105-K110 HydrophobicContact CB-CG 3.73Å; A105-K110 WeakPolarHBondContact CB-O 3.48Å; A105-K110 PolarHBondContact N-O 2.85Å; A105-W150 HydrophobicContact CB-CD2 3.7Å; A105-W150 HydrophobicContact CB-CE3 3.99Å; A105-W150 HydrophobicContact CB-CG 4.18Å; A105-W150 HydrophobicContact CB-CH2 4.14Å; A105-W150 HydrophobicContact CB-CZ2 3.85Å; A105-W150 HydrophobicContact CB-CZ3 4.2Å; A105-N154 WeakPolarHBondContact CB-OD1 3.49Å
106P98.4Very high98.7Very high65 Ų6533.6 Ų33.642%0.42217%0.169SC..THydrogen-bonded Turntrans-52.7-34-176.3-3034.8000115.7E108 W150 N154P106-E108 VanDerWaalsContact C-N 3.29Å; P106-W150 HydrophobicContact CG-CB 4.27Å; P106-N154 WeakPolarHBondContact CD-OD1 3.39Å
107N98.4Very high98.7Very high105 Ų10529.8 Ų29.856%0.56115%0.15SC*.THydrogen-bonded Turntrans-86.30.8179.1-62.7-7.2000113A105 N109 N154A105-N107 PolarHBondContact O-N 3.33Å; A105-N107 VanDerWaalsContact O-N 3.13Å; N107-N109 PolarHBondContact O-N 2.67Å; N107-N154 HydrophobicContact CB-CB 4.34Å; N107-N154 WeakPolarHBondContact CB-OD1 3.22Å; N107-N154 PolarHBondContact N-OD1 3.3Å
108E98.5Very high98.7Very high13 Ų1329.8 Ų29.86%0.06115%0.15CC..SBendtrans58.214176.8-52.4-178.9-167.200115.5A61 P62 E63 S64 R66 W104 A105 P106A61-E108 HydrophobicContact CB-CB 4.33Å; A61-E108 HydrophobicContact CB-CG 3.93Å; A61-E108 WeakPolarHBondContact CB-OE2 3.39Å; P62-E108 WeakPolarHBondContact CD-OE1 3.4Å; P62-E108 VanDerWaalsContact CG-OE1 3.22Å; P62-E108 WeakPolarHBondContact CG-OE1 3.43Å; E63-E108 WeakPolarHBondContact CB-OE1 3.34Å; E63-E108 PolarHBondContact N-OE1 3.29Å; E63-E108 PolarHBondContact N-OE2 2.73Å; S64-E108 WeakPolarHBondContact CB-OE2 3.25Å; S64-E108 PolarHBondContact N-OE2 2.88Å; S64-E108 PolarHBondContact OG-OE2 3.26Å; R66-E108 PolarHBondContact NH2-O 3.34Å; W104-E108 WeakPolarHBondContact CZ3-O 3.26Å; A105-E108 WeakPolarHBondContact O-CA 3.33Å; A105-E108 PolarHBondContact O-N 2.83Å; P106-E108 VanDerWaalsContact C-N 3.29Å
109N98Very high98.7Very high36 Ų3628.2 Ų28.219%0.19314%0.137CC..SBendtrans-85.1-14.6177.762.9-14.8000112.9N107 N154 V176N107-N109 PolarHBondContact O-N 2.67Å; N109-N154 PolarHBondContact OD1-ND2 3.16Å; N109-V176 HydrophobicContact CB-CB 4.41Å; N109-V176 HydrophobicContact CB-CG2 4.44Å; N109-V176 PolarHBondContact ND2-O 2.85Å
110K98.8Very high98.7Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-155.5164.1178.866.1-168176.2-179.10111.6A105 I122 C123 W150 N154 A171 I173 E177A105-K110 HydrophobicContact CB-CG 3.73Å; A105-K110 WeakPolarHBondContact CB-O 3.48Å; A105-K110 PolarHBondContact N-O 2.85Å; K110-I122 HydrophobicContact CD-CG2 4.2Å; K110-C123 CarbonylContact C-O 3.58Å; K110-C123 WeakPolarHBondContact CA-O 3.19Å; K110-C123 WeakPolarHBondContact CB-O 3.49Å; K110-W150 HydrophobicContact CD-CH2 4.08Å; K110-W150 HydrophobicContact CG-CH2 4.18Å; K110-W150 HydrophobicContact CG-CZ2 4.41Å; K110-N154 WeakPolarHBondContact CE-ND2 3.36Å; K110-N154 WeakPolarHBondContact CE-O 3.37Å; K110-N154 PolarHBondContact NZ-O 2.7Å; K110-A171 PolarHBondContact NZ-O 2.98Å; K110-I173 HydrophobicContact CD-CG1 4.02Å; K110-E177 IonicContact NZ-OE1 2.84Å; K110-E177 PolarHBondContact NZ-OE1 2.94Å; K110-E177 IonicContact NZ-OE2 3.27Å; K110-E177 PolarHBondContact NZ-OE2 3.38Å
111F98.9Very high98.8Very high0 Ų023.2 Ų23.20%012%0.118CC..EExtended strand (participates in β ladder)trans-138.7157.3171.962.4-93.5000111.1V68 V78 V91 V102 R103 W104 V113 I122 C123 W132V68-F111 HydrophobicContact CG2-CD1 4.34Å; V68-F111 HydrophobicContact CG2-CD2 3.94Å; V68-F111 HydrophobicContact CG2-CE1 4.21Å; V68-F111 HydrophobicContact CG2-CE2 3.8Å; V68-F111 HydrophobicContact CG2-CG 4.19Å; V68-F111 HydrophobicContact CG2-CZ 3.92Å; V78-F111 HydrophobicContact CG2-CD1 4.5Å; V78-F111 HydrophobicContact CG2-CE1 3.61Å; V78-F111 HydrophobicContact CG2-CZ 4Å; V91-F111 HydrophobicContact CB-CZ 4.25Å; V91-F111 HydrophobicContact CG1-CZ 3.95Å; V91-F111 HydrophobicContact CG2-CZ 4.01Å; V102-F111 HydrophobicContact CG2-CD2 3.82Å; V102-F111 HydrophobicContact CG2-CE2 4.47Å; R103-F111 CarbonylContact O-C 3.57Å; R103-F111 VanDerWaalsContact O-CA 3.25Å; R103-F111 WeakPolarHBondContact O-CA 3.46Å; R103-F111 WeakPolarHBondContact O-CB 3.18Å; W104-F111 HydrophobicContact CD2-CB 4.02Å; W104-F111 HydrophobicContact CE3-CB 3.86Å; W104-F111 HydrophobicContact CE3-CD1 4.11Å; W104-F111 HydrophobicContact CE3-CG 4.48Å; W104-F111 HydrophobicContact CG-CB 4.43Å; W104-F111 AromaticContact CH2-CD1 3.7Å; W104-F111 HydrophobicContact CH2-CD1 3.7Å; W104-F111 HydrophobicContact CH2-CE1 4.23Å; W104-F111 HydrophobicContact CZ2-CD1 4.14Å; W104-F111 HydrophobicContact CZ3-CB 4.3Å; W104-F111 AromaticContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CD1 3.69Å; W104-F111 HydrophobicContact CZ3-CG 4.48Å; F111-V113 HydrophobicContact CD2-CG2 3.82Å; F111-V113 HydrophobicContact CE2-CG2 3.73Å; F111-I122 WeakPolarHBondContact O-CA 3.48Å; F111-C123 HydrophobicContact CD1-CB 4.12Å; F111-C123 HydrophobicContact CD2-CB 3.96Å; F111-C123 HydrophobicContact CE1-CB 3.69Å; F111-C123 HydrophobicContact CE2-CB 3.51Å; F111-C123 HydrophobicContact CG-CB 4.26Å; F111-C123 HydrophobicContact CZ-CB 3.37Å; F111-C123 PolarHBondContact N-O 2.9Å; F111-C123 PolarHBondContact O-N 3.47Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.19Å; F111-W132 AromaticContact CD1-CZ3 3.73Å; F111-W132 HydrophobicContact CD1-CZ3 3.73Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.94Å; F111-W132 HydrophobicContact CE1-CH2 3.94Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.32Å
112A98.9Very high98.8Very high0 Ų022.7 Ų22.70%011%0.114CC..EExtended strand (participates in β ladder)trans-112.8137.3178.600000110.8V102 R103 I120 S121 I122 L148 W150 L157V102-A112 VanDerWaalsContact CA-O 3.25Å; V102-A112 WeakPolarHBondContact CA-O 3.46Å; V102-A112 WeakPolarHBondContact CG2-O 3.47Å; R103-A112 PolarHBondContact N-O 3.13Å; R103-A112 PolarHBondContact O-N 3.4Å; A112-I120 HydrophobicContact CB-CG2 4.02Å; A112-S121 CarbonylContact C-O 3.59Å; A112-S121 WeakPolarHBondContact CA-O 3.38Å; A112-I122 HydrophobicContact CB-CD1 3.58Å; A112-L148 HydrophobicContact CB-CD1 3.82Å; A112-W150 HydrophobicContact CB-CH2 4.5Å; A112-W150 HydrophobicContact CB-CZ2 3.57Å; A112-L157 HydrophobicContact CB-CD1 4.26Å; A112-L157 HydrophobicContact CB-CD2 3.56Å
113V98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.114CC..EExtended strand (participates in β ladder)trans-120.6118.5174.8-1760000110.5C70 L93 A99 C101 V102 F111 I120 S121C70-V113 HydrophobicContact CB-CG1 4.12Å; L93-V113 HydrophobicContact CD1-CB 4.36Å; L93-V113 HydrophobicContact CD1-CG1 3.85Å; L93-V113 HydrophobicContact CD1-CG2 4.4Å; L93-V113 HydrophobicContact CD2-CB 4.23Å; L93-V113 HydrophobicContact CD2-CG2 3.85Å; A99-V113 HydrophobicContact CB-CG1 3.71Å; C101-V113 CarbonylContact O-C 3.55Å; C101-V113 VanDerWaalsContact O-CA 3.31Å; C101-V113 WeakPolarHBondContact O-CA 3.31Å; V102-V113 HydrophobicContact CB-CG2 4.21Å; V102-V113 HydrophobicContact CG2-CG2 3.78Å; F111-V113 HydrophobicContact CD2-CG2 3.82Å; F111-V113 HydrophobicContact CE2-CG2 3.73Å; V113-I120 CarbonylContact O-C 3.58Å; V113-I120 WeakPolarHBondContact O-CA 3.36Å; V113-S121 PolarHBondContact N-O 3.36Å; V113-S121 PolarHBondContact O-N 3.12Å
114G98.9Very high98.7Very high0 Ų020.4 Ų20.40%011%0.106CC..EExtended strand (participates in β ladder)trans-84.9142.6170.600000110.7R100 C101R100-G114 PolarHBondContact N-O 3.25Å; C101-G114 PolarHBondContact N-O 2.75Å; C101-G114 PolarHBondContact O-N 3.21Å
115S98.9Very high98.7Very high0 Ų022.6 Ų22.60%012%0.116CC..EExtended strand (participates in β ladder)trans-141.9162.9-172.970.40000114A98 S117 R118 V119 V145A98-S115 WeakPolarHBondContact O-CA 3.33Å; S115-S117 PolarHBondContact O-N 2.8Å; S115-S117 PolarHBondContact OG-N 2.85Å; S115-R118 PolarHBondContact O-N 2.81Å; S115-V119 PolarHBondContact N-O 3.09Å; S115-V119 WeakPolarHBondContact OG-CG1 3.49Å; S115-V119 PolarHBondContact OG-O 2.93Å; S115-V145 PolarHBondContact O-N 2.82Å
116G98.8Very high98.5Very high18 Ų1825.2 Ų25.219%0.18613%0.127CC..THydrogen-bonded Turntrans-69.1-7.6167.200000113.9A98 R118A98-G116 PolarHBondContact O-N 3.22Å; G116-R118 PolarHBondContact O-N 3.39Å
117S98.6Very high98.2Very high17 Ų1730.3 Ų30.312%0.11915%0.146CC..THydrogen-bonded Turntrans-78.57.4173.4-69.90000112.6N96 R97 S115 V119N96-S117 PolarHBondContact N-OG 2.84Å; N96-S117 PolarHBondContact OD1-OG 3.07Å; R97-S117 WeakPolarHBondContact CB-OG 3.18Å; R97-S117 PolarHBondContact N-OG 3.25Å; S115-S117 PolarHBondContact O-N 2.8Å; S115-S117 PolarHBondContact OG-N 2.85Å; S117-V119 VanDerWaalsContact C-N 3.29Å; S117-V119 PolarHBondContact O-N 3.35Å
118R98.7Very high97.9Very high144 Ų14433.9 Ų33.954%0.54316%0.159SC..SBendtrans60.442177-45.5171.4179.7171.81111S115 G116 I141 R142 S143S115-R118 PolarHBondContact O-N 2.81Å; G116-R118 PolarHBondContact O-N 3.39Å; R118-I141 HydrophobicContact CB-CG2 4.33Å; R118-R142 VanDerWaalsContact CD-O 3.27Å; R118-R142 WeakPolarHBondContact CD-O 3.48Å; R118-R142 PolarHBondContact NE-O 3.15Å; R118-S143 WeakPolarHBondContact CA-O 3.38Å
119V98.8Very high97.6Very high4 Ų438.5 Ų38.52%0.02418%0.184CC..  trans-151.8148.1-174.369.30000109.2I95 S115 S117 H136 I137 K138I95-V119 HydrophobicContact CG2-CG1 3.88Å; S115-V119 PolarHBondContact N-O 3.09Å; S115-V119 WeakPolarHBondContact OG-CG1 3.49Å; S115-V119 PolarHBondContact OG-O 2.93Å; S117-V119 VanDerWaalsContact C-N 3.29Å; S117-V119 PolarHBondContact O-N 3.35Å; V119-H136 HydrophobicContact CG2-CB 3.51Å; V119-I137 WeakPolarHBondContact CA-O 3.48Å; V119-I137 VanDerWaalsContact CG2-O 3.26Å; V119-I137 WeakPolarHBondContact CG2-O 3.48Å; V119-K138 HydrophobicContact CG2-CB 4.19Å
120I98.9Very high97.3Very high0 Ų042.8 Ų42.80%021%0.207CC..EExtended strand (participates in β ladder)trans-103.5125.8168.6-54.9167.4000107.9A112 V113 I122 H136 I137 I141 V145 L148 L157 A159 F169A112-I120 HydrophobicContact CB-CG2 4.02Å; V113-I120 CarbonylContact O-C 3.58Å; V113-I120 WeakPolarHBondContact O-CA 3.36Å; I120-I122 HydrophobicContact CG2-CD1 3.76Å; I120-H136 WeakPolarHBondContact O-CA 3.11Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 3.23Å; I120-I137 PolarHBondContact O-N 3.46Å; I120-I141 HydrophobicContact CD1-CD1 3.81Å; I120-I141 HydrophobicContact CG1-CD1 3.81Å; I120-V145 HydrophobicContact CG1-CG1 4.27Å; I120-V145 HydrophobicContact CG1-CG2 4.01Å; I120-L148 HydrophobicContact CD1-CD2 3.92Å; I120-L148 HydrophobicContact CG1-CD2 4.3Å; I120-L148 HydrophobicContact CG2-CD1 4.36Å; I120-L148 HydrophobicContact CG2-CD2 4.34Å; I120-L157 HydrophobicContact CG2-CD2 3.93Å; I120-A159 HydrophobicContact CD1-CB 3.6Å; I120-F169 HydrophobicContact CD1-CD2 4.18Å; I120-F169 HydrophobicContact CD1-CE2 4.28Å
121S98.9Very high97.1Very high0 Ų048.9 Ų48.90%023%0.23CC..EExtended strand (participates in β ladder)trans-95.4114.4174.7-54.70000109.7L93 A112 V113 H136L93-S121 PolarHBondContact O-OG 3.43Å; A112-S121 CarbonylContact C-O 3.59Å; A112-S121 WeakPolarHBondContact CA-O 3.38Å; V113-S121 PolarHBondContact N-O 3.36Å; V113-S121 PolarHBondContact O-N 3.12Å; S121-H136 PolarHBondContact OG-CD2 2.92Å; S121-H136 PolarHBondContact OG-NE2 3.17Å
122I98.9Very high97.1Very high0 Ų049.4 Ų49.40%023%0.232CC..EExtended strand (participates in β ladder)trans-93.7110.9174.1-52.2-56.5000107.6K110 F111 A112 I120 C134 K135 I137 W150 L157 A171 I173 F191K110-I122 HydrophobicContact CD-CG2 4.2Å; F111-I122 WeakPolarHBondContact O-CA 3.48Å; A112-I122 HydrophobicContact CB-CD1 3.58Å; I120-I122 HydrophobicContact CG2-CD1 3.76Å; I122-C134 CarbonylContact O-C 3.52Å; I122-C134 VanDerWaalsContact O-CA 3.22Å; I122-C134 WeakPolarHBondContact O-CA 3.25Å; I122-K135 PolarHBondContact N-O 2.89Å; I122-K135 PolarHBondContact O-N 3.12Å; I122-I137 HydrophobicContact CD1-CD1 4.12Å; I122-I137 HydrophobicContact CG1-CD1 3.86Å; I122-I137 HydrophobicContact CG1-CG1 4.14Å; I122-W150 HydrophobicContact CD1-CH2 4.25Å; I122-W150 HydrophobicContact CD1-CZ2 4.43Å; I122-W150 HydrophobicContact CG2-CH2 4.5Å; I122-L157 HydrophobicContact CD1-CD2 3.67Å; I122-A171 HydrophobicContact CD1-CB 3.74Å; I122-A171 HydrophobicContact CG1-CB 3.91Å; I122-A171 HydrophobicContact CG2-CB 4.34Å; I122-I173 HydrophobicContact CG2-CD1 3.97Å; I122-I173 HydrophobicContact CG2-CG1 3.95Å; I122-F191 HydrophobicContact CB-CE2 4.02Å; I122-F191 HydrophobicContact CB-CZ 4.44Å; I122-F191 HydrophobicContact CG1-CE2 3.84Å; I122-F191 HydrophobicContact CG1-CZ 4.17Å; I122-F191 HydrophobicContact CG2-CE2 4.46Å
123C98.8Very high97Very high0 Ų051.7 Ų51.70%025%0.246CC..EExtended strand (participates in β ladder)trans-108.4133.3-173.4-50.60000110.4V91 L93 K110 F111 W132 V133 C134V91-C123 HydrophobicContact CG1-CB 4.18Å; L93-C123 VanDerWaalsContact CD2-SG 3.59Å; K110-C123 CarbonylContact C-O 3.58Å; K110-C123 WeakPolarHBondContact CA-O 3.19Å; K110-C123 WeakPolarHBondContact CB-O 3.49Å; F111-C123 HydrophobicContact CD1-CB 4.12Å; F111-C123 HydrophobicContact CD2-CB 3.96Å; F111-C123 HydrophobicContact CE1-CB 3.69Å; F111-C123 HydrophobicContact CE2-CB 3.51Å; F111-C123 HydrophobicContact CG-CB 4.26Å; F111-C123 HydrophobicContact CZ-CB 3.37Å; F111-C123 PolarHBondContact N-O 2.9Å; F111-C123 PolarHBondContact O-N 3.47Å; C123-W132 HydrophobicContact CB-CE3 4.38Å; C123-V133 CarbonylContact C-O 3.59Å; C123-V133 WeakPolarHBondContact CA-O 3.49Å; C123-C134 HydrophobicContact CB-CB 4.3Å; C123-C134 VanDerWaalsContact SG-CB 3.5Å
124Y98.4Very high96.9Very high10 Ų1051.9 Ų51.94%0.03925%0.248CC..EExtended strand (participates in β ladder)trans-139.7158.3177.363.5-87.5000109.7V133 K135 I173 E175 V176Y124-V133 HydrophobicContact CE2-CB 4.47Å; Y124-V133 PolarHBondContact N-O 3.23Å; Y124-V133 PolarHBondContact O-N 3.02Å; Y124-K135 HydrophobicContact CE1-CD 4.27Å; Y124-K135 HydrophobicContact CE1-CG 4.27Å; Y124-K135 WeakPolarHBondContact OH-CE 3.34Å; Y124-I173 HydrophobicContact CD1-CD1 4.22Å; Y124-I173 HydrophobicContact CD1-CG1 4.2Å; Y124-I173 HydrophobicContact CD1-CG2 3.66Å; Y124-I173 HydrophobicContact CD2-CG2 4.24Å; Y124-I173 HydrophobicContact CE1-CD1 4.19Å; Y124-I173 HydrophobicContact CE1-CG2 3.65Å; Y124-I173 HydrophobicContact CE2-CG2 4.25Å; Y124-I173 HydrophobicContact CG-CG2 3.95Å; Y124-E175 HydrophobicContact CE2-CB 4.27Å; Y124-V176 HydrophobicContact CD2-CG1 3.6Å; Y124-V176 HydrophobicContact CE2-CG1 4.41Å; Y124-V176 HydrophobicContact CG-CG1 4.08Å
125F97.4Very high96.9Very high61 Ų6154.8 Ų54.827%0.26826%0.26SS..EExtended strand (participates in β ladder)trans-92.3127.5-178-168.9-103.4000110.5Q127 D130 W132F125-Q127 HydrophobicContact CD1-CG 4.14Å; F125-Q127 HydrophobicContact CE1-CG 4.34Å; F125-D130 WeakPolarHBondContact CZ-OD1 3.31Å; F125-W132 HydrophobicContact CB-CD2 4.25Å; F125-W132 HydrophobicContact CB-CE3 4.2Å; F125-W132 HydrophobicContact CB-CH2 3.99Å; F125-W132 HydrophobicContact CB-CZ2 4.06Å; F125-W132 HydrophobicContact CB-CZ3 4.08Å; F125-W132 AromaticContact CD2-CD1 3.79Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.7Å; F125-W132 HydrophobicContact CD2-CG 4.01Å; F125-W132 HydrophobicContact CD2-CZ2 4.2Å; F125-W132 AromaticContact CD2-NE1 3.59Å; F125-W132 HydrophobicContact CG-CZ2 4.49Å
126E95.1Very high96.9Very high56 Ų5657.5 Ų57.526%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-101.1105.3177.1-170.9169-100.800109E128 N129 D130 W131 V133E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 3.32Å; E126-N129 PolarHBondContact O-N 2.86Å; E126-N129 PolarHBondContact OE2-ND2 3.42Å; E126-D130 PolarHBondContact O-N 2.84Å; E126-D130 VanDerWaalsContact O-N 3.1Å; E126-W131 PolarHBondContact N-O 2.86Å; E126-W131 PolarHBondContact O-N 2.84Å; E126-V133 HydrophobicContact CB-CG2 3.93Å
127Q92.1Very high96.9Very high172 Ų17256.8 Ų56.880%0.80426%0.264SS*.G310 helixtrans-62.7-32.8-172.8-67.7-176.21.100112.9F125 N129 D130F125-Q127 HydrophobicContact CD1-CG 4.14Å; F125-Q127 HydrophobicContact CE1-CG 4.34Å; Q127-N129 VanDerWaalsContact C-N 3.26Å; Q127-N129 PolarHBondContact O-N 2.97Å; Q127-D130 PolarHBondContact O-N 3.15Å
128E92.3Very high96.8Very high180 Ų18062.2 Ų62.284%0.84129%0.286SS*.G310 helixtrans-62.9-33.7-179.1-62.8-178.6178.700112.6E126E126-E128 VanDerWaalsContact C-N 3.27Å; E126-E128 PolarHBondContact O-N 3.32Å
129N91.9Very high96.7Very high111 Ų11163.9 Ų63.959%0.59430%0.297SS*.G310 helixtrans-108.22.5-176.8-69.1-46.5000113.3E126 Q127 W131E126-N129 PolarHBondContact O-N 2.86Å; E126-N129 PolarHBondContact OE2-ND2 3.42Å; Q127-N129 VanDerWaalsContact C-N 3.26Å; Q127-N129 PolarHBondContact O-N 2.97Å; N129-W131 PolarHBondContact O-N 2.87Å; N129-W131 VanDerWaalsContact O-N 3.16Å
130D93Very high96.7Very high126 Ų12665.7 Ų65.767%0.67431%0.309SS*.THydrogen-bonded Turntrans49.437.6-176.9-162.442.9000113.1F125 E126 Q127F125-D130 WeakPolarHBondContact CZ-OD1 3.31Å; E126-D130 PolarHBondContact O-N 2.84Å; E126-D130 VanDerWaalsContact O-N 3.1Å; Q127-D130 PolarHBondContact O-N 3.15Å
131W94.6Very high96.7Very high127 Ų12766.3 Ų66.348%0.48131%0.312SS..EExtended strand (participates in β ladder)trans-142.3154.4-171.9-160-88.2000113.7I92 E126 N129I92-W131 HydrophobicContact CD1-CZ2 4.14Å; E126-W131 PolarHBondContact N-O 2.86Å; E126-W131 PolarHBondContact O-N 2.84Å; N129-W131 PolarHBondContact O-N 2.87Å; N129-W131 VanDerWaalsContact O-N 3.16Å
132W97.5Very high96.7Very high12 Ų1273 Ų735%0.04534%0.337CS..EExtended strand (participates in β ladder)trans-84.9119.8175.2-74.892.7000112V78 V91 W104 F111 C123 F125V78-W132 HydrophobicContact CB-CZ2 4.25Å; V78-W132 HydrophobicContact CG1-CZ2 3.95Å; V78-W132 HydrophobicContact CG2-CD2 4.27Å; V78-W132 HydrophobicContact CG2-CH2 4.4Å; V78-W132 HydrophobicContact CG2-CZ2 3.82Å; V91-W132 HydrophobicContact CB-CB 4.17Å; V91-W132 HydrophobicContact CG1-CB 3.74Å; V91-W132 HydrophobicContact CG1-CG 4.39Å; V91-W132 HydrophobicContact CG2-CB 3.67Å; V91-W132 HydrophobicContact CG2-CD2 4.05Å; V91-W132 HydrophobicContact CG2-CG 3.52Å; W104-W132 AromaticContact CH2-CH2 3.44Å; W104-W132 HydrophobicContact CH2-CH2 3.44Å; W104-W132 VanDerWaalsContact CH2-CH2 3.44Å; W104-W132 AromaticContact CH2-CZ2 4Å; W104-W132 HydrophobicContact CH2-CZ2 4Å; W104-W132 HydrophobicContact CH2-CZ3 4.26Å; W104-W132 AromaticContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CH2 3.81Å; W104-W132 HydrophobicContact CZ3-CZ3 4.38Å; F111-W132 HydrophobicContact CD1-CE3 4.3Å; F111-W132 HydrophobicContact CD1-CH2 4.19Å; F111-W132 AromaticContact CD1-CZ3 3.73Å; F111-W132 HydrophobicContact CD1-CZ3 3.73Å; F111-W132 HydrophobicContact CE1-CD2 4.17Å; F111-W132 AromaticContact CE1-CE3 3.53Å; F111-W132 HydrophobicContact CE1-CE3 3.53Å; F111-W132 AromaticContact CE1-CH2 3.94Å; F111-W132 HydrophobicContact CE1-CH2 3.94Å; F111-W132 AromaticContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CE1-CZ3 3.39Å; F111-W132 HydrophobicContact CZ-CE3 4.32Å; C123-W132 HydrophobicContact CB-CE3 4.38Å; F125-W132 HydrophobicContact CB-CD2 4.25Å; F125-W132 HydrophobicContact CB-CE3 4.2Å; F125-W132 HydrophobicContact CB-CH2 3.99Å; F125-W132 HydrophobicContact CB-CZ2 4.06Å; F125-W132 HydrophobicContact CB-CZ3 4.08Å; F125-W132 AromaticContact CD2-CD1 3.79Å; F125-W132 AromaticContact CD2-CD2 3.97Å; F125-W132 HydrophobicContact CD2-CD2 3.97Å; F125-W132 AromaticContact CD2-CE2 3.7Å; F125-W132 HydrophobicContact CD2-CG 4.01Å; F125-W132 HydrophobicContact CD2-CZ2 4.2Å; F125-W132 AromaticContact CD2-NE1 3.59Å; F125-W132 HydrophobicContact CG-CZ2 4.49Å
133V97.1Very high96.7Very high47 Ų4774.5 Ų74.529%0.28535%0.348SS..EExtended strand (participates in β ladder)trans-105.1150.7176.6-169.90000109.1C123 Y124 E126C123-V133 CarbonylContact C-O 3.59Å; C123-V133 WeakPolarHBondContact CA-O 3.49Å; Y124-V133 HydrophobicContact CE2-CB 4.47Å; Y124-V133 PolarHBondContact N-O 3.23Å; Y124-V133 PolarHBondContact O-N 3.02Å; E126-V133 HydrophobicContact CB-CG2 3.93Å
134C97.1Very high96.7Very high5 Ų576.5 Ų76.53%0.03436%0.36CS..EExtended strand (participates in β ladder)trans-128.2143.7174.172.70000112.9I92 R94 I122 C123I92-C134 PolarHBondContact O-SG 3.1Å; R94-C134 PolarHBondContact NE-SG 2.95Å; R94-C134 VanDerWaalsContact NE-SG 3.4Å; R94-C134 PolarHBondContact NH2-O 2.87Å; I122-C134 CarbonylContact O-C 3.52Å; I122-C134 VanDerWaalsContact O-CA 3.22Å; I122-C134 WeakPolarHBondContact O-CA 3.25Å; C123-C134 HydrophobicContact CB-CB 4.3Å; C123-C134 VanDerWaalsContact SG-CB 3.5Å
135K98.4Very high96.7Very high60 Ų6076 Ų7626%0.26136%0.359SS..EExtended strand (participates in β ladder)trans-113.9149.2167.7-67.1179.3-177.2167.90109.4I122 Y124 I173 E175 F191I122-K135 PolarHBondContact N-O 2.89Å; I122-K135 PolarHBondContact O-N 3.12Å; Y124-K135 HydrophobicContact CE1-CD 4.27Å; Y124-K135 HydrophobicContact CE1-CG 4.27Å; Y124-K135 WeakPolarHBondContact OH-CE 3.34Å; K135-I173 HydrophobicContact CD-CD1 3.95Å; K135-E175 IonicContact NZ-OE1 3.47Å; K135-E175 PolarHBondContact NZ-OE1 3.41Å; K135-E175 IonicContact NZ-OE2 2.65Å; K135-E175 PolarHBondContact NZ-OE2 2.99Å; K135-F191 HydrophobicContact CB-CE1 3.79Å; K135-F191 HydrophobicContact CB-CE2 3.9Å; K135-F191 HydrophobicContact CB-CZ 3.36Å
136H98.8Very high96.8Very high57 Ų5774.3 Ų74.326%0.26435%0.352SS..EExtended strand (participates in β ladder)trans-107.8126.7-173-78.7175.1000112.4L93 R94 V119 I120 S121L93-H136 PolarHBondContact O-NE2 2.85Å; R94-H136 PolarHBondContact O-CE1 3.11Å; V119-H136 HydrophobicContact CG2-CB 3.51Å; I120-H136 WeakPolarHBondContact O-CA 3.11Å; S121-H136 PolarHBondContact OG-CD2 2.92Å; S121-H136 PolarHBondContact OG-NE2 3.17Å
137I98.8Very high96.9Very high3 Ų372.4 Ų72.42%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-94.5109.1164.2-56.2177.3000107.3V119 I120 I122 F169 A171 F191V119-I137 WeakPolarHBondContact CA-O 3.48Å; V119-I137 VanDerWaalsContact CG2-O 3.26Å; V119-I137 WeakPolarHBondContact CG2-O 3.48Å; I120-I137 HydrophobicContact CB-CB 4.29Å; I120-I137 PolarHBondContact N-O 3.23Å; I120-I137 PolarHBondContact O-N 3.46Å; I122-I137 HydrophobicContact CD1-CD1 4.12Å; I122-I137 HydrophobicContact CG1-CD1 3.86Å; I122-I137 HydrophobicContact CG1-CG1 4.14Å; I137-F169 HydrophobicContact CD1-CB 4Å; I137-F169 HydrophobicContact CG2-CB 4.25Å; I137-F169 HydrophobicContact CG2-CD1 3.58Å; I137-F169 HydrophobicContact CG2-CD2 4.16Å; I137-F169 HydrophobicContact CG2-CE1 3.82Å; I137-F169 HydrophobicContact CG2-CE2 4.38Å; I137-F169 HydrophobicContact CG2-CG 3.74Å; I137-F169 HydrophobicContact CG2-CZ 4.21Å; I137-A171 HydrophobicContact CD1-CB 4.07Å; I137-F191 HydrophobicContact CD1-CE2 4.39Å; I137-F191 HydrophobicContact CD1-CZ 4.41Å; I137-F191 HydrophobicContact CG1-CE1 4.09Å; I137-F191 HydrophobicContact CG1-CE2 4.08Å; I137-F191 HydrophobicContact CG1-CZ 3.62Å
138K97.9Very high97.3Very high132 Ų13264.6 Ų64.657%0.57431%0.308SS*.  trans-110.8-56.2-170.9-169.9-178.2-176.474.30113.6V119 I141V119-K138 HydrophobicContact CG2-CB 4.19Å; K138-I141 WeakPolarHBondContact O-CB 3.26Å; K138-I141 PolarHBondContact O-N 3.48Å
139K96.1Very high97.6Very high178 Ų17857.2 Ų57.277%0.77428%0.275SS*.THydrogen-bonded Turntrans-85.6143.3-177-67.4-175.6179.4-178.70110.2F169K139-F169 WeakPolarHBondContact O-CE1 3.15Å
140P98.4Very high97.9Very high42 Ų4252.4 Ų52.427%0.27325%0.249SC..THydrogen-bonded Turncis-97.130.8-2.839.7-36.9000113.7R142 R167 L194P140-R142 WeakPolarHBondContact O-CG 3.36Å; P140-R142 PolarHBondContact O-N 3.3Å; P140-R142 PolarHBondContact O-NH1 3.19Å; P140-R167 PolarHBondContact O-NH2 3.27Å; P140-L194 HydrophobicContact CG-CD2 3.93Å
141I98.8Very high98.2Very high14 Ų1446.9 Ų46.97%0.07222%0.219CC..  trans-64.7123.8-175.5-56.2173.1000110.4R118 I120 K138 S143 V145 F169R118-I141 HydrophobicContact CB-CG2 4.33Å; I120-I141 HydrophobicContact CD1-CD1 3.81Å; I120-I141 HydrophobicContact CG1-CD1 3.81Å; K138-I141 WeakPolarHBondContact O-CB 3.26Å; K138-I141 PolarHBondContact O-N 3.48Å; I141-S143 WeakPolarHBondContact CG2-O 3.45Å; I141-V145 HydrophobicContact CD1-CG2 4.21Å; I141-V145 HydrophobicContact CG2-CG2 3.91Å; I141-F169 HydrophobicContact CD1-CE2 4Å; I141-F169 HydrophobicContact CD1-CZ 4.09Å; I141-F169 HydrophobicContact CG1-CE2 4.14Å; I141-F169 HydrophobicContact CG1-CZ 3.86Å
142R98.5Very high98.4Very high139 Ų13943.7 Ų43.753%0.52521%0.214SC..  trans-111.5-6.9-175.5-65.3-173.8-63.3-83.57.2114.9R118 P140 D163R118-R142 VanDerWaalsContact CD-O 3.27Å; R118-R142 WeakPolarHBondContact CD-O 3.48Å; R118-R142 PolarHBondContact NE-O 3.15Å; P140-R142 WeakPolarHBondContact O-CG 3.36Å; P140-R142 PolarHBondContact O-N 3.3Å; P140-R142 PolarHBondContact O-NH1 3.19Å; R142-D163 HydrophobicContact CB-CB 4.01Å; R142-D163 PolarHBondContact N-OD2 2.87Å
143S98.7Very high98.4Very high32 Ų3245.3 Ų45.322%0.22422%0.224CC..SBendtrans-146.8-177.7-179.6-1570000112R118 I141 V145 C162R118-S143 WeakPolarHBondContact CA-O 3.38Å; I141-S143 WeakPolarHBondContact CG2-O 3.45Å; S143-V145 PolarHBondContact O-N 2.98Å; S143-C162 VanDerWaalsContact OG-CB 3.28Å; S143-C162 WeakPolarHBondContact OG-CB 3.5Å
144T98.9Very high98.5Very high43 Ų4343.1 Ų43.126%0.26421%0.21SC..  trans-55.4133.8178.9-59.10000111.1R100 L146 S161 C162R100-T144 HydrophobicContact CB-CG2 4.45Å; R100-T144 HydrophobicContact CG-CG2 4.42Å; T144-L146 HydrophobicContact CG2-CD2 4.15Å; T144-S161 CarbonylContact O-C 3.59Å; T144-S161 VanDerWaalsContact O-CA 3.22Å; T144-S161 WeakPolarHBondContact O-CA 3.14Å; T144-S161 VanDerWaalsContact O-CB 3.22Å; T144-S161 WeakPolarHBondContact O-CB 3.19Å; T144-C162 PolarHBondContact O-N 3.23Å
145V98.9Very high98.5Very high0 Ų043 Ų430%021%0.209CC..EExtended strand (participates in β ladder)trans-85.7122.1172.1-177.50000108.8R100 S115 I120 I141 S143 L148 A159R100-V145 WeakPolarHBondContact CB-O 3.43Å; R100-V145 WeakPolarHBondContact CG-O 3.45Å; S115-V145 PolarHBondContact O-N 2.82Å; I120-V145 HydrophobicContact CG1-CG1 4.27Å; I120-V145 HydrophobicContact CG1-CG2 4.01Å; I141-V145 HydrophobicContact CD1-CG2 4.21Å; I141-V145 HydrophobicContact CG2-CG2 3.91Å; S143-V145 PolarHBondContact O-N 2.98Å; V145-L148 HydrophobicContact CG1-CD2 4Å; V145-L148 HydrophobicContact CG1-CG 4.35Å; V145-A159 HydrophobicContact CG1-CB 4.34Å
146L98.9Very high98.6Very high24 Ų2440.1 Ų40.113%0.12620%0.197CC..EExtended strand (participates in β ladder)trans-97.9-37.7-173-66-179.8000112.9R100 C101 T144 G160 C162 W204R100-L146 HydrophobicContact CG-CD2 4.2Å; C101-L146 WeakPolarHBondContact CB-O 2.77Å; C101-L146 VanDerWaalsContact SG-C 3.6Å; C101-L146 PolarHBondContact SG-O 3.33Å; T144-L146 HydrophobicContact CG2-CD2 4.15Å; L146-G160 PolarHBondContact N-O 3.46Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; L146-W204 HydrophobicContact CD1-CB 3.99Å
147S98.9Very high98.6Very high16 Ų1637.4 Ų37.411%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-143.6154.4-175.848.50000112.5A159 G160 H206 G207 V208S147-A159 WeakPolarHBondContact O-CA 3.43Å; S147-G160 PolarHBondContact N-O 3.07Å; S147-G160 PolarHBondContact O-N 3.47Å; S147-H206 WeakPolarHBondContact CB-O 3.38Å; S147-H206 PolarHBondContact OG-O 3.46Å; S147-G207 WeakPolarHBondContact OG-CA 3.42Å; S147-V208 PolarHBondContact OG-N 3.29Å
148L98.9Very high98.6Very high8 Ų837.2 Ų37.24%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-141.3144.2-179.5-67173.3000109.2R103 A112 I120 V145 L157 A158 A159R103-L148 HydrophobicContact CG-CB 4.22Å; R103-L148 WeakPolarHBondContact CG-O 3.19Å; A112-L148 HydrophobicContact CB-CD1 3.82Å; I120-L148 HydrophobicContact CD1-CD2 3.92Å; I120-L148 HydrophobicContact CG1-CD2 4.3Å; I120-L148 HydrophobicContact CG2-CD1 4.36Å; I120-L148 HydrophobicContact CG2-CD2 4.34Å; V145-L148 HydrophobicContact CG1-CD2 4Å; V145-L148 HydrophobicContact CG1-CG 4.35Å; L148-L157 HydrophobicContact CB-CD1 4.25Å; L148-L157 HydrophobicContact CD2-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CD2 4.18Å; L148-L157 HydrophobicContact CD2-CG 4.22Å; L148-A158 VanDerWaalsContact CA-O 3.31Å; L148-A158 WeakPolarHBondContact CA-O 3.48Å; L148-A159 HydrophobicContact CD2-CB 3.7Å
149D98.9Very high98.6Very high26 Ų2631 Ų3114%0.13916%0.157CC..EExtended strand (participates in β ladder)trans-149.5135.3166.8-17037.1000110.2A158 V208 C209 F210 K339D149-A158 PolarHBondContact N-O 3.07Å; D149-A158 VanDerWaalsContact N-O 3.15Å; D149-A158 PolarHBondContact O-N 2.97Å; D149-V208 HydrophobicContact CB-CG2 4.33Å; D149-C209 WeakPolarHBondContact OD2-CA 3.5Å; D149-C209 PolarHBondContact OD2-SG 3.5Å; D149-F210 WeakPolarHBondContact O-CD2 3.31Å; D149-F210 PolarHBondContact OD2-N 2.66Å; D149-K339 IonicContact OD1-NZ 3.74Å; D149-K339 PolarHBondContact OD1-NZ 3.45Å; D149-K339 IonicContact OD2-NZ 3.73Å; D149-K339 PolarHBondContact OD2-NZ 3.13Å
150W98.9Very high98.8Very high10 Ų1022.6 Ų22.64%0.03812%0.12CC..EExtended strand (participates in β ladder)trans-86142.1-177.3-73.196.6000111.1R103 W104 A105 P106 K110 A112 I122 N154 L157 A171R103-W150 PolarHBondContact O-NE1 2.98Å; W104-W150 PolarHBondContact O-NE1 3.27Å; A105-W150 HydrophobicContact CB-CD2 3.7Å; A105-W150 HydrophobicContact CB-CE3 3.99Å; A105-W150 HydrophobicContact CB-CG 4.18Å; A105-W150 HydrophobicContact CB-CH2 4.14Å; A105-W150 HydrophobicContact CB-CZ2 3.85Å; A105-W150 HydrophobicContact CB-CZ3 4.2Å; P106-W150 HydrophobicContact CG-CB 4.27Å; K110-W150 HydrophobicContact CD-CH2 4.08Å; K110-W150 HydrophobicContact CG-CH2 4.18Å; K110-W150 HydrophobicContact CG-CZ2 4.41Å; A112-W150 HydrophobicContact CB-CH2 4.5Å; A112-W150 HydrophobicContact CB-CZ2 3.57Å; I122-W150 HydrophobicContact CD1-CH2 4.25Å; I122-W150 HydrophobicContact CD1-CZ2 4.43Å; I122-W150 HydrophobicContact CG2-CH2 4.5Å; W150-N154 WeakPolarHBondContact CZ3-O 3.46Å; W150-L157 HydrophobicContact CD2-CD1 3.74Å; W150-L157 HydrophobicContact CE3-CB 4.14Å; W150-L157 HydrophobicContact CE3-CD1 4.18Å; W150-L157 HydrophobicContact CG-CD1 3.99Å; W150-L157 HydrophobicContact CH2-CD2 4.43Å; W150-L157 HydrophobicContact CZ2-CD1 4.36Å; W150-L157 HydrophobicContact CZ2-CD2 4.39Å; W150-L157 HydrophobicContact CZ3-CB 4.19Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.63Å
151H98.9Very high98.8Very high10 Ų1020.7 Ų20.75%0.04611%0.108CC..  trans-71.4149.3166.7-177.6-85.2000110N153 N154 L156 F210 G214H151-N153 VanDerWaalsContact ND1-CB 3.35Å; H151-N153 WeakPolarHBondContact ND1-CB 3.2Å; H151-N153 PolarHBondContact ND1-N 2.91Å; H151-N153 PolarHBondContact ND1-OD1 3.13Å; H151-N153 PolarHBondContact O-N 2.73Å; H151-N153 VanDerWaalsContact O-N 3.07Å; H151-N154 PolarHBondContact O-N 2.9Å; H151-N154 VanDerWaalsContact O-N 3.08Å; H151-L156 HydrophobicContact CB-CB 3.51Å; H151-L156 WeakPolarHBondContact CB-O 3.19Å; H151-L156 PolarHBondContact N-O 2.95Å; H151-F210 HydrophobicContact CB-CD1 4.43Å; H151-F210 HydrophobicContact CB-CD2 3.84Å; H151-F210 HydrophobicContact CB-CE1 4.33Å; H151-F210 HydrophobicContact CB-CE2 3.68Å; H151-F210 HydrophobicContact CB-CG 4.21Å; H151-F210 HydrophobicContact CB-CZ 3.95Å; H151-F210 AromaticContact CD2-CD1 3.86Å; H151-F210 AromaticContact CD2-CE1 3.73Å; H151-G214 VanDerWaalsContact CD2-CA 3.45Å; H151-G214 WeakPolarHBondContact CD2-CA 3.43Å; H151-G214 PolarHBondContact CD2-O 2.85Å; H151-G214 WeakPolarHBondContact NE2-CA 3.46Å; H151-G214 PolarHBondContact NE2-O 3.3Å
152P98.4Very high98.8Very high60 Ų6021 Ų2139%0.3911%0.111SC..THydrogen-bonded Turntrans-56.9-25.6-17921.3-35.9000114.8N154P152-N154 PolarHBondContact O-N 3.43Å; P152-N154 VanDerWaalsContact O-N 3.15Å
153N98.2Very high98.8Very high46 Ų4615 Ų1525%0.2469%0.089CC..THydrogen-bonded Turntrans-735.417780.6-13.2000115.2H151 V155 L156H151-N153 VanDerWaalsContact ND1-CB 3.35Å; H151-N153 WeakPolarHBondContact ND1-CB 3.2Å; H151-N153 PolarHBondContact ND1-N 2.91Å; H151-N153 PolarHBondContact ND1-OD1 3.13Å; H151-N153 PolarHBondContact O-N 2.73Å; H151-N153 VanDerWaalsContact O-N 3.07Å; N153-V155 PolarHBondContact O-N 2.88Å; N153-V155 PolarHBondContact OD1-N 2.85Å; N153-L156 PolarHBondContact OD1-N 3.12Å
154N98.5Very high98.8Very high0 Ų017 Ų170%09%0.094CC..SBendtrans65.6-1.2-179.4-161.271.8000115.8A105 P106 N107 N109 K110 W150 H151 P152 E177A105-N154 WeakPolarHBondContact CB-OD1 3.49Å; P106-N154 WeakPolarHBondContact CD-OD1 3.39Å; N107-N154 HydrophobicContact CB-CB 4.34Å; N107-N154 WeakPolarHBondContact CB-OD1 3.22Å; N107-N154 PolarHBondContact N-OD1 3.3Å; N109-N154 PolarHBondContact OD1-ND2 3.16Å; K110-N154 WeakPolarHBondContact CE-ND2 3.36Å; K110-N154 WeakPolarHBondContact CE-O 3.37Å; K110-N154 PolarHBondContact NZ-O 2.7Å; W150-N154 WeakPolarHBondContact CZ3-O 3.46Å; H151-N154 PolarHBondContact O-N 2.9Å; H151-N154 VanDerWaalsContact O-N 3.08Å; P152-N154 PolarHBondContact O-N 3.43Å; P152-N154 VanDerWaalsContact O-N 3.15Å; N154-E177 PolarHBondContact ND2-OE2 3.49Å
155V98.8Very high98.8Very high2 Ų215.6 Ų15.61%0.0128%0.084CC..SBendtrans-112-51.4-173.9169.10000112.6N153 S170 A171 Y172 E177 P180 M189N153-V155 PolarHBondContact O-N 2.88Å; N153-V155 PolarHBondContact OD1-N 2.85Å; V155-S170 WeakPolarHBondContact CG1-OG 3.4Å; V155-A171 PolarHBondContact O-N 3.44Å; V155-Y172 HydrophobicContact CG2-CD2 4.33Å; V155-E177 VanDerWaalsContact CG2-OE2 3.32Å; V155-E177 WeakPolarHBondContact CG2-OE2 3.44Å; V155-P180 HydrophobicContact CB-CB 4.34Å; V155-P180 HydrophobicContact CG1-CB 4.46Å; V155-P180 HydrophobicContact CG1-CG 4.17Å; V155-P180 HydrophobicContact CG2-CB 3.93Å; V155-P180 HydrophobicContact CG2-CG 4.13Å; V155-M189 HydrophobicContact CG1-CB 4.43Å; V155-M189 HydrophobicContact CG1-SD 4.37Å
156L98.9Very high98.8Very high0 Ų015.6 Ų15.60%08%0.084CC..EExtended strand (participates in β ladder)trans-74.5139.3-178.2-62.4-179.9000110H151 N153 I168 F169 T183 W185 M189 M195 F210H151-L156 HydrophobicContact CB-CB 3.51Å; H151-L156 WeakPolarHBondContact CB-O 3.19Å; H151-L156 PolarHBondContact N-O 2.95Å; N153-L156 PolarHBondContact OD1-N 3.12Å; L156-I168 HydrophobicContact CB-CG2 4.01Å; L156-I168 HydrophobicContact CD1-CG2 4.46Å; L156-I168 HydrophobicContact CD2-CG2 4.19Å; L156-I168 HydrophobicContact CG-CG2 4.46Å; L156-F169 CarbonylContact C-O 3.54Å; L156-F169 WeakPolarHBondContact CA-O 3.4Å; L156-T183 HydrophobicContact CD1-CG2 4.25Å; L156-W185 HydrophobicContact CD1-CB 3.86Å; L156-W185 HydrophobicContact CD1-CG 3.88Å; L156-M189 HydrophobicContact CD1-SD 4.36Å; L156-M189 HydrophobicContact CD2-CG 4.08Å; L156-M189 HydrophobicContact CD2-SD 3.64Å; L156-M189 HydrophobicContact CG-SD 3.99Å; L156-M195 HydrophobicContact CD2-CG 3.67Å; L156-M195 HydrophobicContact CD2-SD 4.46Å; L156-F210 HydrophobicContact CB-CZ 4.27Å
157L98.9Very high98.8Very high0 Ų014.5 Ų14.50%08%0.079CC..EExtended strand (participates in β ladder)trans-133.1119-176.1176.964.1000109.4A112 I120 I122 L148 W150 I168 F169 A171A112-L157 HydrophobicContact CB-CD1 4.26Å; A112-L157 HydrophobicContact CB-CD2 3.56Å; I120-L157 HydrophobicContact CG2-CD2 3.93Å; I122-L157 HydrophobicContact CD1-CD2 3.67Å; L148-L157 HydrophobicContact CB-CD1 4.25Å; L148-L157 HydrophobicContact CD2-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CD2 4.18Å; L148-L157 HydrophobicContact CD2-CG 4.22Å; W150-L157 HydrophobicContact CD2-CD1 3.74Å; W150-L157 HydrophobicContact CE3-CB 4.14Å; W150-L157 HydrophobicContact CE3-CD1 4.18Å; W150-L157 HydrophobicContact CG-CD1 3.99Å; W150-L157 HydrophobicContact CH2-CD2 4.43Å; W150-L157 HydrophobicContact CZ2-CD1 4.36Å; W150-L157 HydrophobicContact CZ2-CD2 4.39Å; W150-L157 HydrophobicContact CZ3-CB 4.19Å; L157-I168 WeakPolarHBondContact O-CA 3.39Å; L157-F169 PolarHBondContact N-O 2.96Å; L157-F169 PolarHBondContact O-N 3.23Å; L157-A171 HydrophobicContact CB-CB 4.3Å; L157-A171 HydrophobicContact CD2-CB 4.42Å
158A98.9Very high98.8Very high0 Ų013.7 Ų13.70%07%0.073CC..EExtended strand (participates in β ladder)trans-82.2142.3172.100000109.5L148 D149 R167 I168 V208 F210 V217L148-A158 VanDerWaalsContact CA-O 3.31Å; L148-A158 WeakPolarHBondContact CA-O 3.48Å; D149-A158 PolarHBondContact N-O 3.07Å; D149-A158 VanDerWaalsContact N-O 3.15Å; D149-A158 PolarHBondContact O-N 2.97Å; A158-R167 CarbonylContact C-O 3.45Å; A158-R167 VanDerWaalsContact CA-O 3.27Å; A158-R167 WeakPolarHBondContact CA-O 3.39Å; A158-I168 HydrophobicContact CB-CG1 4.48Å; A158-V208 HydrophobicContact CB-CB 4.24Å; A158-V208 HydrophobicContact CB-CG2 4Å; A158-F210 HydrophobicContact CB-CD2 3.9Å; A158-F210 HydrophobicContact CB-CE2 3.56Å; A158-F210 HydrophobicContact CB-CZ 4.21Å; A158-V217 HydrophobicContact CB-CG2 3.81Å
159A98.9Very high98.8Very high2 Ų213.3 Ų13.32%0.0177%0.071CC..EExtended strand (participates in β ladder)trans-141130.3178.900000111.6I120 V145 S147 L148 C166 R167I120-A159 HydrophobicContact CD1-CB 3.6Å; V145-A159 HydrophobicContact CG1-CB 4.34Å; S147-A159 WeakPolarHBondContact O-CA 3.43Å; L148-A159 HydrophobicContact CD2-CB 3.7Å; A159-C166 CarbonylContact O-C 3.57Å; A159-C166 WeakPolarHBondContact O-CA 3.46Å; A159-R167 PolarHBondContact N-O 3.31Å; A159-R167 PolarHBondContact O-N 3.49Å
160G98.9Very high98.8Very high0 Ų012.1 Ų12.10%07%0.065CC..EExtended strand (participates in β ladder)trans-104.2135.5170.600000111L146 S147L146-G160 PolarHBondContact N-O 3.46Å; S147-G160 PolarHBondContact N-O 3.07Å; S147-G160 PolarHBondContact O-N 3.47Å
161S98.9Very high98.8Very high2 Ų211.6 Ų11.61%0.0146%0.063CC..EExtended strand (participates in β ladder)trans-136.6161.6-178.642.30000114.5T144 D163 F164 K165 R167 V205T144-S161 CarbonylContact O-C 3.59Å; T144-S161 VanDerWaalsContact O-CA 3.22Å; T144-S161 WeakPolarHBondContact O-CA 3.14Å; T144-S161 VanDerWaalsContact O-CB 3.22Å; T144-S161 WeakPolarHBondContact O-CB 3.19Å; S161-D163 WeakPolarHBondContact CB-OD1 3.45Å; S161-D163 PolarHBondContact O-N 3.07Å; S161-D163 VanDerWaalsContact O-N 3.14Å; S161-D163 PolarHBondContact OG-OD1 2.8Å; S161-F164 PolarHBondContact O-N 2.89Å; S161-K165 PolarHBondContact N-O 3.48Å; S161-K165 VanDerWaalsContact N-O 3.13Å; S161-K165 PolarHBondContact OG-O 2.8Å; S161-R167 PolarHBondContact OG-NH1 3.46Å; S161-V205 PolarHBondContact O-N 2.62Å
162C98.8Very high98.8Very high21 Ų2113.4 Ų13.414%0.1427%0.07CC..THydrogen-bonded Turntrans-69.3-0.9176.4-690000114.1S143 T144 L146 W204S143-C162 VanDerWaalsContact OG-CB 3.28Å; S143-C162 WeakPolarHBondContact OG-CB 3.5Å; T144-C162 PolarHBondContact O-N 3.23Å; L146-C162 VanDerWaalsContact CD1-SG 3.58Å; C162-W204 HydrophobicContact CB-CG 4.25Å
163D98.6Very high98.8Very high12 Ų1210.6 Ų10.66%0.0645%0.051CC..THydrogen-bonded Turntrans-89.517.3169.768.3-6.9000112.2R142 S161 K165 R167R142-D163 HydrophobicContact CB-CB 4.01Å; R142-D163 PolarHBondContact N-OD2 2.87Å; S161-D163 WeakPolarHBondContact CB-OD1 3.45Å; S161-D163 PolarHBondContact O-N 3.07Å; S161-D163 VanDerWaalsContact O-N 3.14Å; S161-D163 PolarHBondContact OG-OD1 2.8Å; D163-K165 VanDerWaalsContact C-N 3.28Å; D163-K165 PolarHBondContact O-N 2.91Å; D163-K165 PolarHBondContact OD1-N 2.8Å; D163-R167 IonicContact OD1-CZ 3.12Å; D163-R167 IonicContact OD1-NH1 2.98Å; D163-R167 PolarHBondContact OD1-NH1 2.91Å; D163-R167 VanDerWaalsContact OD1-NH1 3.1Å; D163-R167 IonicContact OD1-NH2 3.54Å; D163-R167 IonicContact OD2-CZ 2.89Å; D163-R167 IonicContact OD2-NH1 2.89Å; D163-R167 PolarHBondContact OD2-NH1 3.08Å; D163-R167 IonicContact OD2-NH2 2.66Å; D163-R167 PolarHBondContact OD2-NH2 3.38Å
164F98.8Very high98.7Very high74 Ų7415.5 Ų15.533%0.3257%0.07SC..SBendtrans73.612.6173.2-37.3-55.3000114.9S161 S201 G203 W204S161-F164 PolarHBondContact O-N 2.89Å; F164-S201 WeakPolarHBondContact CD2-O 3.34Å; F164-G203 WeakPolarHBondContact CA-O 3.5Å; F164-G203 WeakPolarHBondContact CD1-O 3.3Å; F164-W204 AromaticContact CD1-CD1 3.86Å; F164-W204 AromaticContact CE1-CD1 3.5Å; F164-W204 AromaticContact CE1-NE1 3.76Å
165K98.9Very high98.6Very high14 Ų1419.6 Ų19.66%0.0619%0.089CC..  trans-109.4137-175.4-58.5-52.5-167.6175.20112.6S161 D163 R167 E197 S198 S199 S200S161-K165 PolarHBondContact N-O 3.48Å; S161-K165 VanDerWaalsContact N-O 3.13Å; S161-K165 PolarHBondContact OG-O 2.8Å; D163-K165 VanDerWaalsContact C-N 3.28Å; D163-K165 PolarHBondContact O-N 2.91Å; D163-K165 PolarHBondContact OD1-N 2.8Å; K165-R167 HydrophobicContact CB-CG 4.17Å; K165-E197 HydrophobicContact CB-CG 4.27Å; K165-E197 HydrophobicContact CD-CG 4.03Å; K165-E197 HydrophobicContact CG-CG 4.1Å; K165-S198 VanDerWaalsContact CD-O 3.26Å; K165-S198 WeakPolarHBondContact CD-O 3.38Å; K165-S198 WeakPolarHBondContact CE-O 3.31Å; K165-S198 PolarHBondContact NZ-O 2.9Å; K165-S199 PolarHBondContact NZ-O 2.93Å; K165-S199 VanDerWaalsContact NZ-O 3.09Å; K165-S200 WeakPolarHBondContact CD-O 3.49Å; K165-S200 WeakPolarHBondContact CE-O 3.27Å; K165-S200 PolarHBondContact NZ-O 3.08Å
166C98.9Very high98.5Very high0 Ų021.5 Ų21.50%010%0.101CC..EExtended strand (participates in β ladder)trans-94.1130.7154.9178.90000106.9A159 S198 V205 W219A159-C166 CarbonylContact O-C 3.57Å; A159-C166 WeakPolarHBondContact O-CA 3.46Å; C166-S198 PolarHBondContact N-OG 3.47Å; C166-S198 PolarHBondContact O-N 2.97Å; C166-V205 HydrophobicContact CB-CG1 4.35Å; C166-W219 HydrophobicContact CB-CB 4.18Å; C166-W219 HydrophobicContact CB-CD2 3.53Å; C166-W219 HydrophobicContact CB-CE3 3.93Å; C166-W219 HydrophobicContact CB-CG 3.67Å
167R98.9Very high98.3Very high1 Ų122.8 Ų22.80%0.00411%0.107CC..EExtended strand (participates in β ladder)trans-131151.7179.6-65.2-176.6-178.497.3-2.8111.1P140 A158 A159 S161 D163 K165 F169 L194 F196 E197P140-R167 PolarHBondContact O-NH2 3.27Å; A158-R167 CarbonylContact C-O 3.45Å; A158-R167 VanDerWaalsContact CA-O 3.27Å; A158-R167 WeakPolarHBondContact CA-O 3.39Å; A159-R167 PolarHBondContact N-O 3.31Å; A159-R167 PolarHBondContact O-N 3.49Å; S161-R167 PolarHBondContact OG-NH1 3.46Å; D163-R167 IonicContact OD1-CZ 3.12Å; D163-R167 IonicContact OD1-NH1 2.98Å; D163-R167 PolarHBondContact OD1-NH1 2.91Å; D163-R167 VanDerWaalsContact OD1-NH1 3.1Å; D163-R167 IonicContact OD1-NH2 3.54Å; D163-R167 IonicContact OD2-CZ 2.89Å; D163-R167 IonicContact OD2-NH1 2.89Å; D163-R167 PolarHBondContact OD2-NH1 3.08Å; D163-R167 IonicContact OD2-NH2 2.66Å; D163-R167 PolarHBondContact OD2-NH2 3.38Å; K165-R167 HydrophobicContact CB-CG 4.17Å; R167-F169 HydrophobicContact CB-CD2 4.14Å; R167-F169 HydrophobicContact CB-CE2 3.56Å; R167-F169 HydrophobicContact CB-CZ 4.03Å; R167-F169 VanDerWaalsContact CD-CZ 3.44Å; R167-F169 HydrophobicContact CG-CE2 4.3Å; R167-F169 HydrophobicContact CG-CZ 4.39Å; R167-L194 HydrophobicContact CB-CD1 4.02Å; R167-L194 HydrophobicContact CG-CD1 4.1Å; R167-F196 CarbonylContact C-O 3.52Å; R167-F196 WeakPolarHBondContact CA-O 3.46Å; R167-E197 HydrophobicContact CG-CB 4.24Å; R167-E197 HydrophobicContact CG-CG 4.02Å; R167-E197 IonicContact CZ-OE2 2.92Å; R167-E197 IonicContact NE-OE2 2.84Å; R167-E197 PolarHBondContact NE-OE2 3.3Å; R167-E197 IonicContact NH2-OE2 3.1Å; R167-E197 PolarHBondContact NH2-OE2 3.18Å
168I98.9Very high98.2Very high0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-114.1128.7164.8-61.2169.4000108.1L156 L157 A158 W185 M195 F196 F210 V217L156-I168 HydrophobicContact CB-CG2 4.01Å; L156-I168 HydrophobicContact CD1-CG2 4.46Å; L156-I168 HydrophobicContact CD2-CG2 4.19Å; L156-I168 HydrophobicContact CG-CG2 4.46Å; L157-I168 WeakPolarHBondContact O-CA 3.39Å; A158-I168 HydrophobicContact CB-CG1 4.48Å; I168-W185 HydrophobicContact CD1-CD2 3.64Å; I168-W185 HydrophobicContact CD1-CE3 3.52Å; I168-W185 HydrophobicContact CD1-CG 4.49Å; I168-W185 HydrophobicContact CD1-CH2 3.59Å; I168-W185 HydrophobicContact CD1-CZ2 3.65Å; I168-W185 HydrophobicContact CD1-CZ3 3.5Å; I168-M195 HydrophobicContact CB-CB 4.18Å; I168-M195 HydrophobicContact CG2-CB 3.95Å; I168-M195 HydrophobicContact CG2-CG 4.19Å; I168-M195 PolarHBondContact O-N 3.33Å; I168-F196 HydrophobicContact CB-CB 4.04Å; I168-F196 HydrophobicContact CD1-CB 4.05Å; I168-F196 HydrophobicContact CD1-CD1 4.29Å; I168-F196 HydrophobicContact CD1-CG 4.42Å; I168-F196 HydrophobicContact CG1-CB 4.18Å; I168-F196 HydrophobicContact CG1-CD1 4.26Å; I168-F196 PolarHBondContact N-O 2.93Å; I168-F196 PolarHBondContact O-N 3.05Å; I168-F210 HydrophobicContact CB-CZ 4.49Å; I168-F210 HydrophobicContact CD1-CE1 3.75Å; I168-F210 HydrophobicContact CD1-CZ 3.63Å; I168-F210 HydrophobicContact CG1-CE1 4.38Å; I168-F210 HydrophobicContact CG1-CZ 3.78Å; I168-F210 HydrophobicContact CG2-CZ 3.9Å; I168-V217 HydrophobicContact CD1-CB 4.17Å; I168-V217 HydrophobicContact CD1-CG1 3.82Å; I168-V217 HydrophobicContact CG1-CG1 4.44Å
169F98.9Very high98Very high0 Ų041.4 Ų41.40%019%0.185CC..EExtended strand (participates in β ladder)trans-116.3154.3173.6-64.5-82.6000111.6I120 I137 K139 I141 L156 L157 R167 E193 L194I120-F169 HydrophobicContact CD1-CD2 4.18Å; I120-F169 HydrophobicContact CD1-CE2 4.28Å; I137-F169 HydrophobicContact CD1-CB 4Å; I137-F169 HydrophobicContact CG2-CB 4.25Å; I137-F169 HydrophobicContact CG2-CD1 3.58Å; I137-F169 HydrophobicContact CG2-CD2 4.16Å; I137-F169 HydrophobicContact CG2-CE1 3.82Å; I137-F169 HydrophobicContact CG2-CE2 4.38Å; I137-F169 HydrophobicContact CG2-CG 3.74Å; I137-F169 HydrophobicContact CG2-CZ 4.21Å; K139-F169 WeakPolarHBondContact O-CE1 3.15Å; I141-F169 HydrophobicContact CD1-CE2 4Å; I141-F169 HydrophobicContact CD1-CZ 4.09Å; I141-F169 HydrophobicContact CG1-CE2 4.14Å; I141-F169 HydrophobicContact CG1-CZ 3.86Å; L156-F169 CarbonylContact C-O 3.54Å; L156-F169 WeakPolarHBondContact CA-O 3.4Å; L157-F169 PolarHBondContact N-O 2.96Å; L157-F169 PolarHBondContact O-N 3.23Å; R167-F169 HydrophobicContact CB-CD2 4.14Å; R167-F169 HydrophobicContact CB-CE2 3.56Å; R167-F169 HydrophobicContact CB-CZ 4.03Å; R167-F169 VanDerWaalsContact CD-CZ 3.44Å; R167-F169 HydrophobicContact CG-CE2 4.3Å; R167-F169 HydrophobicContact CG-CZ 4.39Å; F169-E193 CarbonylContact C-O 3.39Å; F169-E193 WeakPolarHBondContact CA-O 3.41Å; F169-L194 HydrophobicContact CD1-CB 4.34Å; F169-L194 HydrophobicContact CD1-CD1 4.09Å; F169-L194 HydrophobicContact CE1-CB 4.18Å; F169-L194 HydrophobicContact CE1-CD1 3.64Å; F169-L194 HydrophobicContact CZ-CD1 3.94Å
170S98.8Very high97.9Very high0 Ų042.4 Ų42.40%019%0.191CC..EExtended strand (participates in β ladder)trans-79.6122158.2173.50000110.1V155 Y172 M189 P190 G192 E193V155-S170 WeakPolarHBondContact CG1-OG 3.4Å; S170-Y172 WeakPolarHBondContact OG-CB 3.44Å; S170-Y172 PolarHBondContact OG-N 2.88Å; S170-M189 PolarHBondContact OG-O 2.82Å; S170-P190 WeakPolarHBondContact CB-O 3.19Å; S170-P190 PolarHBondContact OG-O 2.92Å; S170-G192 PolarHBondContact O-N 3.21Å; S170-E193 PolarHBondContact N-O 3.12Å
171A98.7Very high97.8Very high0 Ų046 Ų460%022%0.221CC..  trans-106.635.6169.300000111K110 I122 I137 W150 V155 L157 I173K110-A171 PolarHBondContact NZ-O 2.98Å; I122-A171 HydrophobicContact CD1-CB 3.74Å; I122-A171 HydrophobicContact CG1-CB 3.91Å; I122-A171 HydrophobicContact CG2-CB 4.34Å; I137-A171 HydrophobicContact CD1-CB 4.07Å; W150-A171 HydrophobicContact CH2-CB 3.55Å; W150-A171 HydrophobicContact CZ3-CB 3.63Å; V155-A171 PolarHBondContact O-N 3.44Å; L157-A171 HydrophobicContact CB-CB 4.3Å; L157-A171 HydrophobicContact CD2-CB 4.42Å; A171-I173 PolarHBondContact O-N 3.26Å
172Y98.6Very high97.8Very high48 Ų4850.5 Ų50.519%0.18825%0.25CS..  trans-62.7125.3178.3173.7-131.8000112V155 S170 K174 E177 E178 M189 F191V155-Y172 HydrophobicContact CG2-CD2 4.33Å; S170-Y172 WeakPolarHBondContact OG-CB 3.44Å; S170-Y172 PolarHBondContact OG-N 2.88Å; Y172-K174 HydrophobicContact CE1-CB 4.16Å; Y172-E177 HydrophobicContact CD2-CG 3.71Å; Y172-E177 HydrophobicContact CE2-CG 3.72Å; Y172-E178 WeakPolarHBondContact CE2-O 3.48Å; Y172-M189 WeakPolarHBondContact CB-O 3.37Å; Y172-F191 WeakPolarHBondContact O-CB 3.33Å; Y172-F191 WeakPolarHBondContact O-CD2 3.39Å
173I98.3Very high97.7Very high0 Ų050.7 Ų50.70%025%0.25CS..  trans-120.599.6176.7-55.5-64.3000108.1K110 I122 Y124 K135 A171 E175 V176 E177 F191K110-I173 HydrophobicContact CD-CG1 4.02Å; I122-I173 HydrophobicContact CG2-CD1 3.97Å; I122-I173 HydrophobicContact CG2-CG1 3.95Å; Y124-I173 HydrophobicContact CD1-CD1 4.22Å; Y124-I173 HydrophobicContact CD1-CG1 4.2Å; Y124-I173 HydrophobicContact CD1-CG2 3.66Å; Y124-I173 HydrophobicContact CD2-CG2 4.24Å; Y124-I173 HydrophobicContact CE1-CD1 4.19Å; Y124-I173 HydrophobicContact CE1-CG2 3.65Å; Y124-I173 HydrophobicContact CE2-CG2 4.25Å; Y124-I173 HydrophobicContact CG-CG2 3.95Å; K135-I173 HydrophobicContact CD-CD1 3.95Å; A171-I173 PolarHBondContact O-N 3.26Å; I173-E175 HydrophobicContact CG2-CB 4.21Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.26Å; I173-E175 PolarHBondContact O-N 2.8Å; I173-V176 HydrophobicContact CB-CG2 3.75Å; I173-V176 HydrophobicContact CG2-CG2 3.68Å; I173-V176 PolarHBondContact O-N 2.89Å; I173-E177 PolarHBondContact N-OE1 3.4Å; I173-E177 PolarHBondContact O-N 3.37Å; I173-F191 HydrophobicContact CD1-CD2 3.6Å; I173-F191 HydrophobicContact CD1-CE2 3.62Å
174K96.8Very high97.7Very high150 Ų15053.4 Ų53.465%0.65227%0.269SS*.THydrogen-bonded Turntrans-54.2-26.1-178.467.2171.8-174.1171.70113.8Y172 V176Y172-K174 HydrophobicContact CE1-CB 4.16Å; K174-V176 VanDerWaalsContact C-N 3.34Å
175E95.4Very high97.7Very high85 Ų8550.2 Ų50.240%0.39726%0.255SS..THydrogen-bonded Turntrans-76.2-19.7-176.1-59.785.7176.800113Y124 K135 I173Y124-E175 HydrophobicContact CE2-CB 4.27Å; K135-E175 IonicContact NZ-OE1 3.47Å; K135-E175 PolarHBondContact NZ-OE1 3.41Å; K135-E175 IonicContact NZ-OE2 2.65Å; K135-E175 PolarHBondContact NZ-OE2 2.99Å; I173-E175 HydrophobicContact CG2-CB 4.21Å; I173-E175 WeakPolarHBondContact CG2-OE2 3.26Å; I173-E175 PolarHBondContact O-N 2.8Å
176V96.6Very high97.7Very high42 Ų4250.7 Ų50.726%0.25526%0.264SS..THydrogen-bonded Turntrans-128.9-0.8-175.3-570000114.3N109 Y124 I173 K174N109-V176 HydrophobicContact CB-CB 4.41Å; N109-V176 HydrophobicContact CB-CG2 4.44Å; N109-V176 PolarHBondContact ND2-O 2.85Å; Y124-V176 HydrophobicContact CD2-CG1 3.6Å; Y124-V176 HydrophobicContact CE2-CG1 4.41Å; Y124-V176 HydrophobicContact CG-CG1 4.08Å; I173-V176 HydrophobicContact CB-CG2 3.75Å; I173-V176 HydrophobicContact CG2-CG2 3.68Å; I173-V176 PolarHBondContact O-N 2.89Å; K174-V176 VanDerWaalsContact C-N 3.34Å
177E96.1Very high97.6Very high27 Ų2754.6 Ų54.613%0.12629%0.291CS..SBendtrans-153.3157.1176.378.3-152.6123.200112.9K110 N154 V155 Y172 I173K110-E177 IonicContact NZ-OE1 2.84Å; K110-E177 PolarHBondContact NZ-OE1 2.94Å; K110-E177 IonicContact NZ-OE2 3.27Å; K110-E177 PolarHBondContact NZ-OE2 3.38Å; N154-E177 PolarHBondContact ND2-OE2 3.49Å; V155-E177 VanDerWaalsContact CG2-OE2 3.32Å; V155-E177 WeakPolarHBondContact CG2-OE2 3.44Å; Y172-E177 HydrophobicContact CD2-CG 3.71Å; Y172-E177 HydrophobicContact CE2-CG 3.72Å; I173-E177 PolarHBondContact N-OE1 3.4Å; I173-E177 PolarHBondContact O-N 3.37Å
178E95.8Very high97.5Very high179 Ų17962.4 Ų62.484%0.83633%0.325SS*.PPolyproline II helixtrans-70.5163.6176.4-64-174174.600112.3Y172Y172-E178 WeakPolarHBondContact CE2-O 3.48Å
179R96.1Very high97.4Very high212 Ų21263 Ų6380%0.833%0.327SS*.PPolyproline II helixtrans-60.6125.4176.9-177.1177.8178.4175.7-0.7109.8
180P96.1Very high97.4Very high24 Ų2466.2 Ų66.216%0.15635%0.348CS..PPolyproline II helixtrans-67.6143.3-17826.7-35.7000112.1V155 M189V155-P180 HydrophobicContact CB-CB 4.34Å; V155-P180 HydrophobicContact CG1-CB 4.46Å; V155-P180 HydrophobicContact CG1-CG 4.17Å; V155-P180 HydrophobicContact CG2-CB 3.93Å; V155-P180 HydrophobicContact CG2-CG 4.13Å; P180-M189 HydrophobicContact CB-CE 3.89Å; P180-M189 HydrophobicContact CB-SD 4.49Å; P180-M189 HydrophobicContact CG-CB 4.15Å; P180-M189 HydrophobicContact CG-CE 3.89Å; P180-M189 HydrophobicContact CG-SD 4.37Å
181A97.1Very high97.4Very high74 Ų7469.4 Ų69.461%0.61236%0.362SS*.PPolyproline II helixtrans-65.2150.316700000110.8M189A181-M189 WeakPolarHBondContact O-CE 3.46Å
182P97.9Very high97.4Very high98 Ų9870.5 Ų70.564%0.63637%0.374SS*.PPolyproline II helixtrans-54.6148.6173.8-24.634.5000112.5
183T98.3Very high97.4Very high24 Ų2472.5 Ų72.515%0.14739%0.385CS..BIsolated β-bridgetrans-124.6166.1175.463.90000109.7L156 W185 G186 M189L156-T183 HydrophobicContact CD1-CG2 4.25Å; T183-W185 PolarHBondContact O-N 3.29Å; T183-W185 VanDerWaalsContact O-N 3.09Å; T183-W185 WeakPolarHBondContact OG1-CB 3.2Å; T183-W185 PolarHBondContact OG1-N 2.8Å; T183-G186 PolarHBondContact N-O 3.13Å; T183-G186 VanDerWaalsContact N-O 3.12Å; T183-G186 CarbonylContact O-C 3.5Å; T183-G186 PolarHBondContact O-N 2.83Å; T183-G186 PolarHBondContact OG1-O 3.43Å; T183-M189 HydrophobicContact CG2-CE 4.42Å
184P98.3Very high97.4Very high70 Ų7075.5 Ų75.546%0.45540%0.401SS..THydrogen-bonded Turntrans-55.8-23169.4-2837.5000113.7G186 A231 D232P184-G186 VanDerWaalsContact C-N 3.3Å; P184-G186 PolarHBondContact O-N 2.89Å; P184-A231 HydrophobicContact CB-CB 3.6Å; P184-D232 WeakPolarHBondContact CG-OD1 3.43Å
185W98.5Very high97.5Very high7 Ų769.4 Ų69.43%0.02738%0.375CS..THydrogen-bonded Turntrans-73.1-19.4174.9-59.6103.3000114.1L156 I168 T183 M195 F196 F210 G214 S215 V217 A229 A231 M235L156-W185 HydrophobicContact CD1-CB 3.86Å; L156-W185 HydrophobicContact CD1-CG 3.88Å; I168-W185 HydrophobicContact CD1-CD2 3.64Å; I168-W185 HydrophobicContact CD1-CE3 3.52Å; I168-W185 HydrophobicContact CD1-CG 4.49Å; I168-W185 HydrophobicContact CD1-CH2 3.59Å; I168-W185 HydrophobicContact CD1-CZ2 3.65Å; I168-W185 HydrophobicContact CD1-CZ3 3.5Å; T183-W185 PolarHBondContact O-N 3.29Å; T183-W185 VanDerWaalsContact O-N 3.09Å; T183-W185 WeakPolarHBondContact OG1-CB 3.2Å; T183-W185 PolarHBondContact OG1-N 2.8Å; W185-M195 HydrophobicContact CB-CB 4.46Å; W185-M195 WeakPolarHBondContact O-CE 3.32Å; W185-F196 HydrophobicContact CE3-CB 4.14Å; W185-F196 HydrophobicContact CZ3-CB 4.07Å; W185-F196 HydrophobicContact CZ3-CD2 4.16Å; W185-F196 HydrophobicContact CZ3-CG 4.06Å; W185-F210 HydrophobicContact CZ2-CE1 4.14Å; W185-F210 AromaticContact NE1-CE1 3.79Å; W185-G214 PolarHBondContact NE1-O 3.15Å; W185-S215 WeakPolarHBondContact CZ2-O 3.44Å; W185-V217 HydrophobicContact CH2-CB 4.44Å; W185-V217 HydrophobicContact CH2-CG1 3.77Å; W185-V217 HydrophobicContact CZ2-CB 4.38Å; W185-V217 HydrophobicContact CZ2-CG1 4.2Å; W185-A229 HydrophobicContact CH2-CB 4.15Å; W185-A231 HydrophobicContact CD2-CB 3.61Å; W185-A231 HydrophobicContact CE3-CB 3.84Å; W185-A231 HydrophobicContact CG-CB 4.17Å; W185-A231 HydrophobicContact CH2-CB 3.89Å; W185-A231 HydrophobicContact CZ2-CB 3.71Å; W185-A231 HydrophobicContact CZ3-CB 3.97Å; W185-M235 HydrophobicContact CE3-CE 4.03Å; W185-M235 HydrophobicContact CE3-CG 3.97Å; W185-M235 HydrophobicContact CE3-SD 4.16Å; W185-M235 HydrophobicContact CZ3-CB 4.33Å; W185-M235 HydrophobicContact CZ3-CG 3.81Å; W185-M235 HydrophobicContact CZ3-SD 4.33Å; W185-M235 WeakPolarHBondContact O-CE 3.39Å
186G97.8Very high97.7Very high24 Ų2466.1 Ų66.125%0.24736%0.359CS..BIsolated β-bridgetrans147.2164.3-179.800000113.5T183 P184T183-G186 PolarHBondContact N-O 3.13Å; T183-G186 VanDerWaalsContact N-O 3.12Å; T183-G186 CarbonylContact O-C 3.5Å; T183-G186 PolarHBondContact O-N 2.83Å; T183-G186 PolarHBondContact OG1-O 3.43Å; P184-G186 VanDerWaalsContact C-N 3.3Å; P184-G186 PolarHBondContact O-N 2.89Å
187S96.9Very high97.8Very high81 Ų8167.4 Ų67.457%0.56636%0.363SS*.SBendtrans-100.3-21.7-178.758.30000114.2
188K97.5Very high97.9Very high166 Ų16666.2 Ų66.272%0.72236%0.357SS*.  trans-101.8112.4177.9-67.3-176.5179.8179.10109.1
189M97.8Very high97.9Very high11 Ų1162.7 Ų62.75%0.05435%0.352CS..  trans-127.552.3-177.9-72176.2-80.900112.1V155 L156 S170 Y172 P180 A181 T183 M195V155-M189 HydrophobicContact CG1-CB 4.43Å; V155-M189 HydrophobicContact CG1-SD 4.37Å; L156-M189 HydrophobicContact CD1-SD 4.36Å; L156-M189 HydrophobicContact CD2-CG 4.08Å; L156-M189 HydrophobicContact CD2-SD 3.64Å; L156-M189 HydrophobicContact CG-SD 3.99Å; S170-M189 PolarHBondContact OG-O 2.82Å; Y172-M189 WeakPolarHBondContact CB-O 3.37Å; P180-M189 HydrophobicContact CB-CE 3.89Å; P180-M189 HydrophobicContact CB-SD 4.49Å; P180-M189 HydrophobicContact CG-CB 4.15Å; P180-M189 HydrophobicContact CG-CE 3.89Å; P180-M189 HydrophobicContact CG-SD 4.37Å; A181-M189 WeakPolarHBondContact O-CE 3.46Å; T183-M189 HydrophobicContact CG2-CE 4.42Å; M189-M195 HydrophobicContact CG-CE 3.71Å; M189-M195 HydrophobicContact CG-SD 4.02Å
190P98.1Very high97.9Very high68 Ų6854.2 Ų54.244%0.44233%0.326SS..  trans-63158.9170.330.2-33.1000110.5S170 G192 E193S170-P190 WeakPolarHBondContact CB-O 3.19Å; S170-P190 PolarHBondContact OG-O 2.92Å; P190-G192 PolarHBondContact O-N 2.72Å; P190-E193 HydrophobicContact CG-CB 3.96Å; P190-E193 HydrophobicContact CG-CG 4.35Å; P190-E193 WeakPolarHBondContact O-CB 3.33Å; P190-E193 PolarHBondContact O-N 3.09Å; P190-E193 VanDerWaalsContact O-N 3.13Å
191F98.6Very high97.8Very high67 Ų6757.4 Ų57.429%0.29435%0.348SS..THydrogen-bonded Turntrans-55.5127.7179.7179.8-95000111.8I122 K135 I137 Y172 I173 E193I122-F191 HydrophobicContact CB-CE2 4.02Å; I122-F191 HydrophobicContact CB-CZ 4.44Å; I122-F191 HydrophobicContact CG1-CE2 3.84Å; I122-F191 HydrophobicContact CG1-CZ 4.17Å; I122-F191 HydrophobicContact CG2-CE2 4.46Å; K135-F191 HydrophobicContact CB-CE1 3.79Å; K135-F191 HydrophobicContact CB-CE2 3.9Å; K135-F191 HydrophobicContact CB-CZ 3.36Å; I137-F191 HydrophobicContact CD1-CE2 4.39Å; I137-F191 HydrophobicContact CD1-CZ 4.41Å; I137-F191 HydrophobicContact CG1-CE1 4.09Å; I137-F191 HydrophobicContact CG1-CE2 4.08Å; I137-F191 HydrophobicContact CG1-CZ 3.62Å; Y172-F191 WeakPolarHBondContact O-CB 3.33Å; Y172-F191 WeakPolarHBondContact O-CD2 3.39Å; I173-F191 HydrophobicContact CD1-CD2 3.6Å; I173-F191 HydrophobicContact CD1-CE2 3.62Å; F191-E193 VanDerWaalsContact C-N 3.33Å
192G98.4Very high97.7Very high24 Ų2457 Ų5725%0.24734%0.34CS..THydrogen-bonded Turntrans82.82.117800000115.1S170 P190 L194S170-G192 PolarHBondContact O-N 3.21Å; P190-G192 PolarHBondContact O-N 2.72Å; G192-L194 PolarHBondContact O-N 3.19Å
193E98.7Very high97.6Very high89 Ų8952.9 Ų52.942%0.41632%0.316SS..  trans-60.7132.8176.5-168.863.8-165.400110.9F169 S170 P190 F191 M195F169-E193 CarbonylContact C-O 3.39Å; F169-E193 WeakPolarHBondContact CA-O 3.41Å; S170-E193 PolarHBondContact N-O 3.12Å; P190-E193 HydrophobicContact CG-CB 3.96Å; P190-E193 HydrophobicContact CG-CG 4.35Å; P190-E193 WeakPolarHBondContact O-CB 3.33Å; P190-E193 PolarHBondContact O-N 3.09Å; P190-E193 VanDerWaalsContact O-N 3.13Å; F191-E193 VanDerWaalsContact C-N 3.33Å; E193-M195 HydrophobicContact CB-SD 4.01Å; E193-M195 HydrophobicContact CG-SD 3.69Å
194L98.8Very high97.7Very high64 Ų6457.4 Ų57.434%0.33533%0.331SS..EExtended strand (participates in β ladder)trans-85.7110.5174.1178.368.4000109.2P140 R167 F169 G192 F196 E197P140-L194 HydrophobicContact CG-CD2 3.93Å; R167-L194 HydrophobicContact CB-CD1 4.02Å; R167-L194 HydrophobicContact CG-CD1 4.1Å; F169-L194 HydrophobicContact CD1-CB 4.34Å; F169-L194 HydrophobicContact CD1-CD1 4.09Å; F169-L194 HydrophobicContact CE1-CB 4.18Å; F169-L194 HydrophobicContact CE1-CD1 3.64Å; F169-L194 HydrophobicContact CZ-CD1 3.94Å; G192-L194 PolarHBondContact O-N 3.19Å; L194-F196 VanDerWaalsContact CD1-O 3.27Å; L194-F196 WeakPolarHBondContact CD1-O 3.22Å; L194-E197 HydrophobicContact CD1-CB 4.45Å; L194-E197 HydrophobicContact CD2-CB 4.34Å
195M98.7Very high97.7Very high21 Ų2154.1 Ų54.110%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-89.6-29.8-177.9-49.7-57.3-62.700112.5L156 I168 W185 M189 E193 M235L156-M195 HydrophobicContact CD2-CG 3.67Å; L156-M195 HydrophobicContact CD2-SD 4.46Å; I168-M195 HydrophobicContact CB-CB 4.18Å; I168-M195 HydrophobicContact CG2-CB 3.95Å; I168-M195 HydrophobicContact CG2-CG 4.19Å; I168-M195 PolarHBondContact O-N 3.33Å; W185-M195 HydrophobicContact CB-CB 4.46Å; W185-M195 WeakPolarHBondContact O-CE 3.32Å; M189-M195 HydrophobicContact CG-CE 3.71Å; M189-M195 HydrophobicContact CG-SD 4.02Å; E193-M195 HydrophobicContact CB-SD 4.01Å; E193-M195 HydrophobicContact CG-SD 3.69Å; M195-M235 WeakPolarHBondContact O-CE 2.99Å
196F98.8Very high97.7Very high16 Ų1655.4 Ų55.47%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-156.4143.5-178.1169.8-99.2000110.4R167 I168 W185 L194 V217 W219 A229 M235 V237R167-F196 CarbonylContact C-O 3.52Å; R167-F196 WeakPolarHBondContact CA-O 3.46Å; I168-F196 HydrophobicContact CB-CB 4.04Å; I168-F196 HydrophobicContact CD1-CB 4.05Å; I168-F196 HydrophobicContact CD1-CD1 4.29Å; I168-F196 HydrophobicContact CD1-CG 4.42Å; I168-F196 HydrophobicContact CG1-CB 4.18Å; I168-F196 HydrophobicContact CG1-CD1 4.26Å; I168-F196 PolarHBondContact N-O 2.93Å; I168-F196 PolarHBondContact O-N 3.05Å; W185-F196 HydrophobicContact CE3-CB 4.14Å; W185-F196 HydrophobicContact CZ3-CB 4.07Å; W185-F196 HydrophobicContact CZ3-CD2 4.16Å; W185-F196 HydrophobicContact CZ3-CG 4.06Å; L194-F196 VanDerWaalsContact CD1-O 3.27Å; L194-F196 WeakPolarHBondContact CD1-O 3.22Å; F196-V217 HydrophobicContact CE1-CG1 4.43Å; F196-W219 HydrophobicContact CE1-CH2 4.32Å; F196-W219 HydrophobicContact CE1-CZ3 4.19Å; F196-W219 HydrophobicContact CZ-CH2 4.04Å; F196-W219 HydrophobicContact CZ-CZ3 4.2Å; F196-A229 HydrophobicContact CE1-CB 4.2Å; F196-A229 HydrophobicContact CE2-CB 3.88Å; F196-A229 HydrophobicContact CZ-CB 3.61Å; F196-M235 HydrophobicContact CB-SD 4.29Å; F196-M235 HydrophobicContact CD2-CB 4.01Å; F196-M235 HydrophobicContact CD2-CG 4.38Å; F196-M235 HydrophobicContact CD2-SD 3.93Å; F196-M235 HydrophobicContact CE2-CB 4.21Å; F196-V237 HydrophobicContact CE2-CG2 4.26Å; F196-V237 HydrophobicContact CZ-CG2 4.12Å
197E98.8Very high97.8Very high70 Ų7054.6 Ų54.633%0.32731%0.307SS..EExtended strand (participates in β ladder)trans-137.8131.6167.6-177.3176.893.200109.2K165 R167 L194K165-E197 HydrophobicContact CB-CG 4.27Å; K165-E197 HydrophobicContact CD-CG 4.03Å; K165-E197 HydrophobicContact CG-CG 4.1Å; R167-E197 HydrophobicContact CG-CB 4.24Å; R167-E197 HydrophobicContact CG-CG 4.02Å; R167-E197 IonicContact CZ-OE2 2.92Å; R167-E197 IonicContact NE-OE2 2.84Å; R167-E197 PolarHBondContact NE-OE2 3.3Å; R167-E197 IonicContact NH2-OE2 3.1Å; R167-E197 PolarHBondContact NH2-OE2 3.18Å; L194-E197 HydrophobicContact CD1-CB 4.45Å; L194-E197 HydrophobicContact CD2-CB 4.34Å
198S98.6Very high97.9Very high2 Ų251.1 Ų51.11%0.01428%0.282CS..  trans-66.3150.5175.665.90000112.1K165 C166K165-S198 VanDerWaalsContact CD-O 3.26Å; K165-S198 WeakPolarHBondContact CD-O 3.38Å; K165-S198 WeakPolarHBondContact CE-O 3.31Å; K165-S198 PolarHBondContact NZ-O 2.9Å; C166-S198 PolarHBondContact N-OG 3.47Å; C166-S198 PolarHBondContact O-N 2.97Å
199S96.8Very high97.9Very high104 Ų10443.5 Ų43.573%0.72725%0.249SC*.  trans-82.8-25.3-178.253.60000114K165K165-S199 PolarHBondContact NZ-O 2.93Å; K165-S199 VanDerWaalsContact NZ-O 3.09Å
200S94.6Very high98Very high35 Ų3543 Ų4325%0.24525%0.247CC..  trans-55.4146.1-178.5-174.60000112.7K165 C202K165-S200 WeakPolarHBondContact CD-O 3.49Å; K165-S200 WeakPolarHBondContact CE-O 3.27Å; K165-S200 PolarHBondContact NZ-O 3.08Å; S200-C202 PolarHBondContact OG-N 2.99Å; S200-C202 PolarHBondContact OG-O 2.87Å; S200-C202 PolarHBondContact OG-SG 2.91Å
201S93.9Very high98Very high90 Ų9039.8 Ų39.863%0.62923%0.226SC*.  trans-123.620.4178.1-59.60000112.3F164F164-S201 WeakPolarHBondContact CD2-O 3.34Å
202C95.2Very high98Very high66 Ų6638.2 Ų38.245%0.44623%0.225SC..SBendtrans-135.4158.2176.257.20000111.2S200 D223S200-C202 PolarHBondContact OG-N 2.99Å; S200-C202 PolarHBondContact OG-O 2.87Å; S200-C202 PolarHBondContact OG-SG 2.91Å; C202-D223 PolarHBondContact SG-OD2 3.01Å
203G97.2Very high97.9Very high12 Ų1239.9 Ų39.912%0.12423%0.233CC..SBendtrans74.7120177.200000113.7F164 V205F164-G203 WeakPolarHBondContact CA-O 3.5Å; F164-G203 WeakPolarHBondContact CD1-O 3.3Å; G203-V205 PolarHBondContact O-N 3.3Å
204W98.8Very high97.9Very high119 Ų11935.6 Ų35.645%0.45121%0.214SC..  trans-62132.7170.6-57.2-31.6000109.7L146 C162 F164 H206 S221 H222L146-W204 HydrophobicContact CD1-CB 3.99Å; C162-W204 HydrophobicContact CB-CG 4.25Å; F164-W204 AromaticContact CD1-CD1 3.86Å; F164-W204 AromaticContact CE1-CD1 3.5Å; F164-W204 AromaticContact CE1-NE1 3.76Å; W204-H206 PolarHBondContact O-N 3.43Å; W204-S221 CarbonylContact O-C 3.58Å; W204-S221 VanDerWaalsContact O-CA 3.29Å; W204-S221 WeakPolarHBondContact O-CA 3.47Å; W204-H222 HydrophobicContact CB-CB 4.3Å; W204-H222 PolarHBondContact O-N 3.44Å
205V98.9Very high97.9Very high0 Ų033.2 Ų33.20%020%0.202CC..EExtended strand (participates in β ladder)trans-81.3101.3179.8-176.70000109S161 C166 G203 V208 W219 V220S161-V205 PolarHBondContact O-N 2.62Å; C166-V205 HydrophobicContact CB-CG1 4.35Å; G203-V205 PolarHBondContact O-N 3.3Å; V205-V208 HydrophobicContact CG1-CG1 3.76Å; V205-W219 HydrophobicContact CG1-CB 3.82Å; V205-W219 HydrophobicContact CG1-CG 4.08Å; V205-V220 CarbonylContact C-O 3.51Å
206H98.9Very high97.9Very high35 Ų3533.5 Ų33.516%0.16220%0.202CC..EExtended strand (participates in β ladder)trans-78-46.5-173-73.1-62.4000112.4S147 W204 V220 H222 L248S147-H206 WeakPolarHBondContact CB-O 3.38Å; S147-H206 PolarHBondContact OG-O 3.46Å; W204-H206 PolarHBondContact O-N 3.43Å; H206-V220 HydrophobicContact CB-CG2 4.42Å; H206-V220 PolarHBondContact N-O 3.04Å; H206-H222 AromaticContact CD2-ND1 3.8Å; H206-H222 AromaticContact CE1-ND1 3.92Å; H206-H222 WeakPolarHBondContact NE2-CB 3.3Å; H206-H222 AromaticContact NE2-CE1 3.94Å; H206-H222 AromaticContact NE2-CG 3.36Å; H206-H222 AromaticContact NE2-ND1 2.94Å; H206-H222 PolarHBondContact NE2-ND1 3.26Å; H206-L248 CarbonylContact C-O 3.56Å; H206-L248 HydrophobicContact CB-CD2 4.24Å; H206-L248 WeakPolarHBondContact CB-O 3.26Å
207G98.8Very high97.9Very high6 Ų632.7 Ų32.76%0.06220%0.199CC..EExtended strand (participates in β ladder)trans-128.4144.2-178.700000111.8S147 W219 V220 L250S147-G207 WeakPolarHBondContact OG-CA 3.42Å; G207-W219 WeakPolarHBondContact O-CA 3.3Å; G207-W219 VanDerWaalsContact O-CB 3.3Å; G207-W219 WeakPolarHBondContact O-CB 3.45Å; G207-V220 PolarHBondContact O-N 2.88Å; G207-L250 VanDerWaalsContact O-CD2 3.23Å; G207-L250 WeakPolarHBondContact O-CD2 3.38Å
208V98.9Very high97.9Very high9 Ų929.4 Ų29.46%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-131.7147.2171-60.90000109.4S147 D149 A158 V205 A218 W219S147-V208 PolarHBondContact OG-N 3.29Å; D149-V208 HydrophobicContact CB-CG2 4.33Å; A158-V208 HydrophobicContact CB-CB 4.24Å; A158-V208 HydrophobicContact CB-CG2 4Å; V205-V208 HydrophobicContact CG1-CG1 3.76Å; V208-A218 CarbonylContact C-O 3.51Å; V208-A218 WeakPolarHBondContact CA-O 3.33Å; V208-W219 HydrophobicContact CG1-CB 3.87Å
209C98.9Very high97.9Very high5 Ų529.5 Ų29.53%0.03418%0.183CC..EExtended strand (participates in β ladder)trans-151.1131.9175.6-167.90000111.9D149 V217 A218 L250 F252D149-C209 WeakPolarHBondContact OD2-CA 3.5Å; D149-C209 PolarHBondContact OD2-SG 3.5Å; C209-V217 CarbonylContact O-C 3.5Å; C209-V217 WeakPolarHBondContact O-CA 3.19Å; C209-A218 PolarHBondContact N-O 2.89Å; C209-A218 PolarHBondContact O-N 3.5Å; C209-L250 HydrophobicContact CB-CD2 4.5Å; C209-L250 HydrophobicContact CB-CG 4.17Å; C209-F252 HydrophobicContact CB-CD2 4.37Å; C209-F252 WeakPolarHBondContact O-CE2 3.28Å
210F98.9Very high98Very high0 Ų024.5 Ų24.50%015%0.149CC..EExtended strand (participates in β ladder)trans-78.2144164.5-86-71.1000111.2D149 H151 L156 A158 I168 W185 R216 V217 K339D149-F210 WeakPolarHBondContact O-CD2 3.31Å; D149-F210 PolarHBondContact OD2-N 2.66Å; H151-F210 HydrophobicContact CB-CD1 4.43Å; H151-F210 HydrophobicContact CB-CD2 3.84Å; H151-F210 HydrophobicContact CB-CE1 4.33Å; H151-F210 HydrophobicContact CB-CE2 3.68Å; H151-F210 HydrophobicContact CB-CG 4.21Å; H151-F210 HydrophobicContact CB-CZ 3.95Å; H151-F210 AromaticContact CD2-CD1 3.86Å; H151-F210 AromaticContact CD2-CE1 3.73Å; L156-F210 HydrophobicContact CB-CZ 4.27Å; A158-F210 HydrophobicContact CB-CD2 3.9Å; A158-F210 HydrophobicContact CB-CE2 3.56Å; A158-F210 HydrophobicContact CB-CZ 4.21Å; I168-F210 HydrophobicContact CB-CZ 4.49Å; I168-F210 HydrophobicContact CD1-CE1 3.75Å; I168-F210 HydrophobicContact CD1-CZ 3.63Å; I168-F210 HydrophobicContact CG1-CE1 4.38Å; I168-F210 HydrophobicContact CG1-CZ 3.78Å; I168-F210 HydrophobicContact CG2-CZ 3.9Å; W185-F210 HydrophobicContact CZ2-CE1 4.14Å; W185-F210 AromaticContact NE1-CE1 3.79Å; F210-R216 WeakPolarHBondContact CA-O 3.42Å; F210-R216 WeakPolarHBondContact CD1-O 3.45Å; F210-V217 HydrophobicContact CD1-CB 4.12Å; F210-V217 HydrophobicContact CE1-CB 4.09Å; F210-K339 WeakPolarHBondContact O-CD 3.39Å; F210-K339 PolarHBondContact O-NZ 3.47Å
211S98.7Very high98.2Very high1 Ų122.9 Ų22.91%0.00714%0.137CC..  trans-60.6167.2164.651.80000112S213 G214 S215 R216S211-S213 PolarHBondContact OG-OG 3.04Å; S211-G214 PolarHBondContact O-N 3.27Å; S211-G214 VanDerWaalsContact O-N 3.15Å; S211-G214 PolarHBondContact OG-N 2.84Å; S211-S215 PolarHBondContact OG-N 3.18Å; S211-R216 PolarHBondContact N-O 2.75Å; S211-R216 PolarHBondContact OG-N 2.98Å; S211-R216 PolarHBondContact OG-O 3.2Å
212A98.1Very high98.4Very high34 Ų3422.2 Ų22.228%0.28112%0.124SC..SBendtrans-68.5-37.9-179.900000112.4G214 D255 K339 A340A212-G214 PolarHBondContact O-N 2.83Å; A212-D255 WeakPolarHBondContact CB-OD1 3.39Å; A212-D255 PolarHBondContact N-OD1 3.03Å; A212-K339 HydrophobicContact CB-CB 3.98Å; A212-A340 HydrophobicContact CB-CB 3.55Å
213S97Very high98.5Very high59 Ų5921.6 Ų21.641%0.41312%0.116SC..SBendtrans-67.2-27171.3700000112.6S211 S215S211-S213 PolarHBondContact OG-OG 3.04Å; S213-S215 VanDerWaalsContact C-N 3.27Å; S213-S215 PolarHBondContact O-N 3.39Å; S213-S215 PolarHBondContact OG-N 2.65Å; S213-S215 VanDerWaalsContact OG-N 3.17Å; S213-S215 PolarHBondContact OG-OG 2.75Å; S213-S215 VanDerWaalsContact OG-OG 3.11Å
214G98.2Very high98.6Very high0 Ų022 Ų220%012%0.117CC..SBendtrans81.3-3.6-173.400000114.4H151 W185 S211 A212 R216H151-G214 VanDerWaalsContact CD2-CA 3.45Å; H151-G214 WeakPolarHBondContact CD2-CA 3.43Å; H151-G214 PolarHBondContact CD2-O 2.85Å; H151-G214 WeakPolarHBondContact NE2-CA 3.46Å; H151-G214 PolarHBondContact NE2-O 3.3Å; W185-G214 PolarHBondContact NE1-O 3.15Å; S211-G214 PolarHBondContact O-N 3.27Å; S211-G214 VanDerWaalsContact O-N 3.15Å; S211-G214 PolarHBondContact OG-N 2.84Å; A212-G214 PolarHBondContact O-N 2.83Å; G214-R216 PolarHBondContact O-N 3.27Å
215S98.2Very high98.6Very high14 Ų1417.3 Ų17.310%0.09810%0.101CC..SBendtrans-73.4-12.9178.970.40000113.7W185 S211 S213 A231 D232W185-S215 WeakPolarHBondContact CZ2-O 3.44Å; S211-S215 PolarHBondContact OG-N 3.18Å; S213-S215 VanDerWaalsContact C-N 3.27Å; S213-S215 PolarHBondContact O-N 3.39Å; S213-S215 PolarHBondContact OG-N 2.65Å; S213-S215 VanDerWaalsContact OG-N 3.17Å; S213-S215 PolarHBondContact OG-OG 2.75Å; S213-S215 VanDerWaalsContact OG-OG 3.11Å; S215-A231 VanDerWaalsContact O-CB 3.22Å; S215-A231 WeakPolarHBondContact O-CB 3.45Å; S215-A231 PolarHBondContact O-N 2.86Å; S215-D232 WeakPolarHBondContact CB-OD2 3.31Å; S215-D232 PolarHBondContact OG-OD2 2.91Å
216R98.7Very high98.6Very high26 Ų2617.4 Ų17.410%0.09810%0.102CC..EExtended strand (participates in β ladder)trans-126.5144.1178.2-59.8169.2179.61581.8112.2F210 S211 G214 L228 A229 D230 F252 D255 N256 A274F210-R216 WeakPolarHBondContact CA-O 3.42Å; F210-R216 WeakPolarHBondContact CD1-O 3.45Å; S211-R216 PolarHBondContact N-O 2.75Å; S211-R216 PolarHBondContact OG-N 2.98Å; S211-R216 PolarHBondContact OG-O 3.2Å; G214-R216 PolarHBondContact O-N 3.27Å; R216-L228 HydrophobicContact CB-CD2 4.3Å; R216-L228 HydrophobicContact CG-CD2 4.25Å; R216-A229 VanDerWaalsContact CA-O 3.31Å; R216-A229 WeakPolarHBondContact CA-O 3.48Å; R216-D230 HydrophobicContact CG-CB 4.19Å; R216-D230 IonicContact CZ-OD2 2.83Å; R216-D230 IonicContact NE-OD2 3.93Å; R216-D230 PolarHBondContact NE-OD2 2.86Å; R216-D230 IonicContact NH2-OD2 2.69Å; R216-D230 PolarHBondContact NH2-OD2 3.01Å; R216-F252 HydrophobicContact CB-CZ 4.02Å; R216-D255 PolarHBondContact NH1-O 3.33Å; R216-N256 PolarHBondContact NH1-OD1 3.33Å; R216-A274 VanDerWaalsContact NH2-CB 3.35Å
217V98.9Very high98.6Very high0 Ų016 Ų160%010%0.096CC..EExtended strand (participates in β ladder)trans-122136.2166.968.40000109.2A158 I168 W185 F196 C209 F210 W219 L228 A229A158-V217 HydrophobicContact CB-CG2 3.81Å; I168-V217 HydrophobicContact CD1-CB 4.17Å; I168-V217 HydrophobicContact CD1-CG1 3.82Å; I168-V217 HydrophobicContact CG1-CG1 4.44Å; W185-V217 HydrophobicContact CH2-CB 4.44Å; W185-V217 HydrophobicContact CH2-CG1 3.77Å; W185-V217 HydrophobicContact CZ2-CB 4.38Å; W185-V217 HydrophobicContact CZ2-CG1 4.2Å; F196-V217 HydrophobicContact CE1-CG1 4.43Å; C209-V217 CarbonylContact O-C 3.5Å; C209-V217 WeakPolarHBondContact O-CA 3.19Å; F210-V217 HydrophobicContact CD1-CB 4.12Å; F210-V217 HydrophobicContact CE1-CB 4.09Å; V217-W219 HydrophobicContact CG1-CZ3 4.46Å; V217-L228 CarbonylContact O-C 3.21Å; V217-L228 WeakPolarHBondContact O-CA 3.27Å; V217-A229 HydrophobicContact CG1-CB 3.95Å; V217-A229 PolarHBondContact N-O 2.85Å; V217-A229 VanDerWaalsContact N-O 3.08Å; V217-A229 PolarHBondContact O-N 3.28Å
218A98.9Very high98.6Very high0 Ų015.7 Ų15.70%09%0.093CC..EExtended strand (participates in β ladder)trans-117.7152.3173.300000110.4V208 C209 C227 L228 L250 F252 L258V208-A218 CarbonylContact C-O 3.51Å; V208-A218 WeakPolarHBondContact CA-O 3.33Å; C209-A218 PolarHBondContact N-O 2.89Å; C209-A218 PolarHBondContact O-N 3.5Å; A218-C227 CarbonylContact C-O 3.53Å; A218-C227 WeakPolarHBondContact CA-O 3.38Å; A218-C227 WeakPolarHBondContact CB-O 3.47Å; A218-L228 HydrophobicContact CB-CB 4.36Å; A218-L228 HydrophobicContact CB-CD1 4.48Å; A218-L228 HydrophobicContact CB-CG 4.44Å; A218-L250 HydrophobicContact CB-CD1 3.55Å; A218-F252 HydrophobicContact CB-CE2 3.66Å; A218-F252 HydrophobicContact CB-CZ 3.85Å; A218-L258 HydrophobicContact CB-CD1 3.83Å; A218-L258 HydrophobicContact CB-CD2 3.74Å; A218-L258 HydrophobicContact CB-CG 4.46Å
219W98.9Very high98.6Very high4 Ų415.3 Ų15.32%0.0159%0.091CC..EExtended strand (participates in β ladder)trans-147.8158.9175.270.292.9000112.3C166 F196 V205 G207 V208 V217 C227 A229 V237C166-W219 HydrophobicContact CB-CB 4.18Å; C166-W219 HydrophobicContact CB-CD2 3.53Å; C166-W219 HydrophobicContact CB-CE3 3.93Å; C166-W219 HydrophobicContact CB-CG 3.67Å; F196-W219 HydrophobicContact CE1-CH2 4.32Å; F196-W219 HydrophobicContact CE1-CZ3 4.19Å; F196-W219 HydrophobicContact CZ-CH2 4.04Å; F196-W219 HydrophobicContact CZ-CZ3 4.2Å; V205-W219 HydrophobicContact CG1-CB 3.82Å; V205-W219 HydrophobicContact CG1-CG 4.08Å; G207-W219 WeakPolarHBondContact O-CA 3.3Å; G207-W219 VanDerWaalsContact O-CB 3.3Å; G207-W219 WeakPolarHBondContact O-CB 3.45Å; V208-W219 HydrophobicContact CG1-CB 3.87Å; V217-W219 HydrophobicContact CG1-CZ3 4.46Å; W219-C227 HydrophobicContact CD2-CB 3.6Å; W219-C227 HydrophobicContact CE3-CB 3.96Å; W219-C227 HydrophobicContact CG-CB 4.24Å; W219-C227 HydrophobicContact CH2-CB 3.62Å; W219-C227 HydrophobicContact CZ2-CB 3.21Å; W219-C227 HydrophobicContact CZ3-CB 3.97Å; W219-C227 PolarHBondContact N-O 2.91Å; W219-C227 PolarHBondContact O-N 2.86Å; W219-A229 HydrophobicContact CH2-CB 4.4Å; W219-A229 HydrophobicContact CZ3-CB 3.93Å; W219-V237 HydrophobicContact CH2-CG1 3.63Å; W219-V237 HydrophobicContact CH2-CG2 4.15Å; W219-V237 HydrophobicContact CZ2-CG1 4.12Å
220V98.9Very high98.5Very high0 Ų015.2 Ų15.20%09%0.09CC..EExtended strand (participates in β ladder)trans-122.1142.6173-63.20000111V205 H206 G207 T225 V226 L247 L250 A260V205-V220 CarbonylContact C-O 3.51Å; H206-V220 HydrophobicContact CB-CG2 4.42Å; H206-V220 PolarHBondContact N-O 3.04Å; G207-V220 PolarHBondContact O-N 2.88Å; V220-T225 WeakPolarHBondContact CA-O 3.24Å; V220-V226 HydrophobicContact CG1-CB 4.18Å; V220-V226 HydrophobicContact CG1-CG2 4.04Å; V220-L247 HydrophobicContact CB-CB 3.73Å; V220-L247 HydrophobicContact CB-CD1 4.48Å; V220-L247 HydrophobicContact CG1-CB 3.75Å; V220-L247 HydrophobicContact CG1-CD1 3.75Å; V220-L247 HydrophobicContact CG1-CG 4.42Å; V220-L247 HydrophobicContact CG2-CB 3.92Å; V220-L250 HydrophobicContact CG1-CB 4.12Å; V220-L250 HydrophobicContact CG1-CD1 4.17Å; V220-L250 HydrophobicContact CG1-CD2 4.31Å; V220-L250 HydrophobicContact CG1-CG 4.42Å; V220-L250 HydrophobicContact CG2-CD2 4.13Å; V220-A260 HydrophobicContact CG1-CB 4.41Å
221S98.8Very high98.5Very high1 Ų115.5 Ų15.51%0.0079%0.093CC..EExtended strand (participates in β ladder)trans-124.1156.9-174-72.20000112.2W204 D223 S224 T225W204-S221 CarbonylContact O-C 3.58Å; W204-S221 VanDerWaalsContact O-CA 3.29Å; W204-S221 WeakPolarHBondContact O-CA 3.47Å; S221-D223 WeakPolarHBondContact CB-OD1 3.5Å; S221-D223 PolarHBondContact O-N 3.46Å; S221-D223 VanDerWaalsContact O-N 3.12Å; S221-S224 PolarHBondContact O-N 3.35Å; S221-T225 PolarHBondContact N-O 3.05Å
222H98.6Very high98.5Very high76 Ų7620.2 Ų20.235%0.35212%0.118SC..THydrogen-bonded Turntrans-67.7-7.4-179.4-154.458.4000114.6W204 H206 S224 P246 H263W204-H222 HydrophobicContact CB-CB 4.3Å; W204-H222 PolarHBondContact O-N 3.44Å; H206-H222 AromaticContact CD2-ND1 3.8Å; H206-H222 AromaticContact CE1-ND1 3.92Å; H206-H222 WeakPolarHBondContact NE2-CB 3.3Å; H206-H222 AromaticContact NE2-CE1 3.94Å; H206-H222 AromaticContact NE2-CG 3.36Å; H206-H222 AromaticContact NE2-ND1 2.94Å; H206-H222 PolarHBondContact NE2-ND1 3.26Å; H222-S224 PolarHBondContact O-N 2.95Å; H222-P246 VanDerWaalsContact O-CG 3.24Å; H222-P246 WeakPolarHBondContact O-CG 3.37Å; H222-H263 AromaticContact CE1-NE2 3.92Å
223D97.9Very high98.4Very high53 Ų5322 Ų2228%0.28312%0.119SC..THydrogen-bonded Turntrans-86.521.3173.660.9-0.1000112.7C202 S221 T225C202-D223 PolarHBondContact SG-OD2 3.01Å; S221-D223 WeakPolarHBondContact CB-OD1 3.5Å; S221-D223 PolarHBondContact O-N 3.46Å; S221-D223 VanDerWaalsContact O-N 3.12Å; D223-T225 PolarHBondContact O-N 3.46Å; D223-T225 WeakPolarHBondContact OD1-CB 3.3Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.26Å; D223-T225 PolarHBondContact OD1-N 3.01Å; D223-T225 PolarHBondContact OD1-OG1 3.01Å
224S98.4Very high98.5Very high21 Ų2128.8 Ų28.815%0.14714%0.141CC..THydrogen-bonded Turntrans57.930.2-176.5-68.20000114.1S221 H222 S242 T244S221-S224 PolarHBondContact O-N 3.35Å; H222-S224 PolarHBondContact O-N 2.95Å; S224-S242 WeakPolarHBondContact O-CB 3.38Å; S224-S242 PolarHBondContact O-N 3.1Å; S224-T244 WeakPolarHBondContact CB-O 3.38Å; S224-T244 PolarHBondContact OG-O 3.16Å
225T98.6Very high98.5Very high19 Ų1931.5 Ų31.512%0.11716%0.155CC..EExtended strand (participates in β ladder)trans-104.2146.2174.167.20000113V220 S221 D223 T239 L240 A241V220-T225 WeakPolarHBondContact CA-O 3.24Å; S221-T225 PolarHBondContact N-O 3.05Å; D223-T225 PolarHBondContact O-N 3.46Å; D223-T225 WeakPolarHBondContact OD1-CB 3.3Å; D223-T225 WeakPolarHBondContact OD1-CG2 3.26Å; D223-T225 PolarHBondContact OD1-N 3.01Å; D223-T225 PolarHBondContact OD1-OG1 3.01Å; T225-T239 HydrophobicContact CG2-CG2 4.32Å; T225-L240 WeakPolarHBondContact CA-O 3.4Å; T225-A241 HydrophobicContact CG2-CB 4.39Å
226V98.8Very high98.5Very high3 Ų333.1 Ų33.12%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-112.2134.4160.660.90000108.5V220 L240 L247 L258 F270 L279V220-V226 HydrophobicContact CG1-CB 4.18Å; V220-V226 HydrophobicContact CG1-CG2 4.04Å; V226-L240 HydrophobicContact CG1-CB 3.9Å; V226-L240 HydrophobicContact CG1-CD2 4.34Å; V226-L240 HydrophobicContact CG1-CG 4.49Å; V226-L240 PolarHBondContact N-O 3.22Å; V226-L240 PolarHBondContact O-N 2.85Å; V226-L247 HydrophobicContact CB-CD1 4.47Å; V226-L258 HydrophobicContact CG2-CD1 4.34Å; V226-F270 HydrophobicContact CB-CE2 4.43Å; V226-F270 HydrophobicContact CB-CZ 4.46Å; V226-F270 HydrophobicContact CG1-CD1 3.73Å; V226-F270 HydrophobicContact CG1-CD2 4.24Å; V226-F270 HydrophobicContact CG1-CE1 3.6Å; V226-F270 HydrophobicContact CG1-CE2 4.13Å; V226-F270 HydrophobicContact CG1-CG 4.04Å; V226-F270 HydrophobicContact CG1-CZ 3.82Å; V226-F270 HydrophobicContact CG2-CD2 4.44Å; V226-L279 HydrophobicContact CG1-CD1 4.34Å
227C98.8Very high98.5Very high5 Ų534.7 Ų34.73%0.03418%0.181CC..EExtended strand (participates in β ladder)trans-128.4153.6-179.1-61.10000110.8A218 W219 V237 A238 T239A218-C227 CarbonylContact C-O 3.53Å; A218-C227 WeakPolarHBondContact CA-O 3.38Å; A218-C227 WeakPolarHBondContact CB-O 3.47Å; W219-C227 HydrophobicContact CD2-CB 3.6Å; W219-C227 HydrophobicContact CE3-CB 3.96Å; W219-C227 HydrophobicContact CG-CB 4.24Å; W219-C227 HydrophobicContact CH2-CB 3.62Å; W219-C227 HydrophobicContact CZ2-CB 3.21Å; W219-C227 HydrophobicContact CZ3-CB 3.97Å; W219-C227 PolarHBondContact N-O 2.91Å; W219-C227 PolarHBondContact O-N 2.86Å; C227-V237 HydrophobicContact CB-CG1 4.41Å; C227-A238 CarbonylContact C-O 3.49Å; C227-A238 WeakPolarHBondContact CA-O 3.44Å; C227-T239 PolarHBondContact SG-OG1 3.11Å; C227-T239 VanDerWaalsContact SG-OG1 3.42Å
228L98.8Very high98.5Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-140.5128.6173.8-176.7155000109.1R216 V217 A218 D230 V237 A238 F252 L258 Y272 L279R216-L228 HydrophobicContact CB-CD2 4.3Å; R216-L228 HydrophobicContact CG-CD2 4.25Å; V217-L228 CarbonylContact O-C 3.21Å; V217-L228 WeakPolarHBondContact O-CA 3.27Å; A218-L228 HydrophobicContact CB-CB 4.36Å; A218-L228 HydrophobicContact CB-CD1 4.48Å; A218-L228 HydrophobicContact CB-CG 4.44Å; L228-D230 HydrophobicContact CD2-CB 4.16Å; L228-V237 CarbonylContact O-C 3.51Å; L228-V237 WeakPolarHBondContact O-CA 3.32Å; L228-A238 PolarHBondContact N-O 3.39Å; L228-A238 PolarHBondContact O-N 3.04Å; L228-F252 HydrophobicContact CD1-CE1 3.89Å; L228-F252 HydrophobicContact CD1-CZ 3.69Å; L228-F252 HydrophobicContact CG-CZ 4.39Å; L228-L258 HydrophobicContact CD1-CD1 4.35Å; L228-Y272 HydrophobicContact CD1-CD1 4.32Å; L228-Y272 HydrophobicContact CD1-CD2 4.26Å; L228-Y272 HydrophobicContact CD1-CG 3.95Å; L228-Y272 HydrophobicContact CD2-CD1 4.21Å; L228-Y272 HydrophobicContact CD2-CD2 4.06Å; L228-Y272 HydrophobicContact CD2-CE1 4.05Å; L228-Y272 HydrophobicContact CD2-CE2 3.9Å; L228-Y272 HydrophobicContact CD2-CG 4.21Å; L228-L279 HydrophobicContact CB-CD1 3.94Å; L228-L279 HydrophobicContact CB-CD2 4.28Å; L228-L279 HydrophobicContact CB-CG 4.32Å; L228-L279 HydrophobicContact CD1-CD2 4.43Å
229A98.8Very high98.4Very high0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-103.4130.5169.300000110W185 F196 R216 V217 W219 A236 V237W185-A229 HydrophobicContact CH2-CB 4.15Å; F196-A229 HydrophobicContact CE1-CB 4.2Å; F196-A229 HydrophobicContact CE2-CB 3.88Å; F196-A229 HydrophobicContact CZ-CB 3.61Å; R216-A229 VanDerWaalsContact CA-O 3.31Å; R216-A229 WeakPolarHBondContact CA-O 3.48Å; V217-A229 HydrophobicContact CG1-CB 3.95Å; V217-A229 PolarHBondContact N-O 2.85Å; V217-A229 VanDerWaalsContact N-O 3.08Å; V217-A229 PolarHBondContact O-N 3.28Å; W219-A229 HydrophobicContact CH2-CB 4.4Å; W219-A229 HydrophobicContact CZ3-CB 3.93Å; A229-A236 WeakPolarHBondContact CA-O 3.49Å; A229-V237 HydrophobicContact CB-CG2 4.14Å
230D98.4Very high98.4Very high3 Ų340.8 Ų40.82%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-110.5110.8178.8-171.3-36000110R216 L228 D232 K233 M235 A236 Y272R216-D230 HydrophobicContact CG-CB 4.19Å; R216-D230 IonicContact CZ-OD2 2.83Å; R216-D230 IonicContact NE-OD2 3.93Å; R216-D230 PolarHBondContact NE-OD2 2.86Å; R216-D230 IonicContact NH2-OD2 2.69Å; R216-D230 PolarHBondContact NH2-OD2 3.01Å; L228-D230 HydrophobicContact CD2-CB 4.16Å; D230-D232 VanDerWaalsContact C-N 3.31Å; D230-D232 PolarHBondContact O-N 3.2Å; D230-D232 WeakPolarHBondContact OD1-CA 3.47Å; D230-D232 VanDerWaalsContact OD1-CB 3.3Å; D230-D232 WeakPolarHBondContact OD1-CB 3.35Å; D230-D232 PolarHBondContact OD1-N 2.9Å; D230-K233 HydrophobicContact CB-CB 4.25Å; D230-K233 HydrophobicContact CB-CG 4.48Å; D230-K233 CarbonylContact O-C 3.55Å; D230-K233 PolarHBondContact O-N 3.04Å; D230-K233 PolarHBondContact OD1-N 2.93Å; D230-M235 WeakPolarHBondContact O-CA 2.92Å; D230-M235 PolarHBondContact O-N 3.33Å; D230-A236 PolarHBondContact N-O 3.07Å; D230-A236 PolarHBondContact O-N 2.85Å; D230-Y272 WeakPolarHBondContact OD2-CE1 3.39Å
231A98.3Very high98.4Very high7 Ų744.3 Ų44.36%0.05825%0.247CC..G310 helixtrans-69.7-28.2-178.100000112.8P184 W185 S215 K233 K234P184-A231 HydrophobicContact CB-CB 3.6Å; W185-A231 HydrophobicContact CD2-CB 3.61Å; W185-A231 HydrophobicContact CE3-CB 3.84Å; W185-A231 HydrophobicContact CG-CB 4.17Å; W185-A231 HydrophobicContact CH2-CB 3.89Å; W185-A231 HydrophobicContact CZ2-CB 3.71Å; W185-A231 HydrophobicContact CZ3-CB 3.97Å; S215-A231 VanDerWaalsContact O-CB 3.22Å; S215-A231 WeakPolarHBondContact O-CB 3.45Å; S215-A231 PolarHBondContact O-N 2.86Å; A231-K233 PolarHBondContact O-N 2.82Å; A231-K234 PolarHBondContact O-N 3.2Å; A231-K234 VanDerWaalsContact O-N 3.13Å
232D97.9Very high98.2Very high100 Ų10045.7 Ų45.754%0.53526%0.257SS..G310 helixtrans-67.2-23.6175.4-56.8-42000110.6P184 S215 D230P184-D232 WeakPolarHBondContact CG-OD1 3.43Å; S215-D232 WeakPolarHBondContact CB-OD2 3.31Å; S215-D232 PolarHBondContact OG-OD2 2.91Å; D230-D232 VanDerWaalsContact C-N 3.31Å; D230-D232 PolarHBondContact O-N 3.2Å; D230-D232 WeakPolarHBondContact OD1-CA 3.47Å; D230-D232 VanDerWaalsContact OD1-CB 3.3Å; D230-D232 WeakPolarHBondContact OD1-CB 3.35Å; D230-D232 PolarHBondContact OD1-N 2.9Å
233K97.4Very high97.9Very high72 Ų7251.8 Ų51.831%0.31329%0.285SS..G310 helixtrans-99.636.8171.7-64.2-167.4171.1-1650113.7D230 A231 M235 A236 A274 A275D230-K233 HydrophobicContact CB-CB 4.25Å; D230-K233 HydrophobicContact CB-CG 4.48Å; D230-K233 CarbonylContact O-C 3.55Å; D230-K233 PolarHBondContact O-N 3.04Å; D230-K233 PolarHBondContact OD1-N 2.93Å; A231-K233 PolarHBondContact O-N 2.82Å; K233-M235 VanDerWaalsContact C-N 3.27Å; K233-M235 PolarHBondContact O-N 3.49Å; K233-A236 HydrophobicContact CB-CB 4Å; K233-A236 VanDerWaalsContact O-CB 3.26Å; K233-A236 WeakPolarHBondContact O-CB 3.32Å; K233-A236 PolarHBondContact O-N 3.49Å; K233-A236 VanDerWaalsContact O-N 3.13Å; K233-A274 WeakPolarHBondContact CE-O 3.47Å; K233-A274 PolarHBondContact NZ-O 2.74Å; K233-A275 PolarHBondContact NZ-O 2.86Å
234K97.6Very high97.8Very high201 Ų20152.2 Ų52.287%0.87429%0.29SS*.THydrogen-bonded Turntrans56.241-179.9-55.2-177.3178.2-178.60112.6A231 A236A231-K234 PolarHBondContact O-N 3.2Å; A231-K234 VanDerWaalsContact O-N 3.13Å; K234-A236 PolarHBondContact O-N 3.11Å
235M98.2Very high97.8Very high57 Ų5755.6 Ų55.628%0.28131%0.306SS..THydrogen-bonded Turntrans60.728.5-179-48175.2-17300113.5W185 M195 F196 D230 K233 V237W185-M235 HydrophobicContact CE3-CE 4.03Å; W185-M235 HydrophobicContact CE3-CG 3.97Å; W185-M235 HydrophobicContact CE3-SD 4.16Å; W185-M235 HydrophobicContact CZ3-CB 4.33Å; W185-M235 HydrophobicContact CZ3-CG 3.81Å; W185-M235 HydrophobicContact CZ3-SD 4.33Å; W185-M235 WeakPolarHBondContact O-CE 3.39Å; M195-M235 WeakPolarHBondContact O-CE 2.99Å; F196-M235 HydrophobicContact CB-SD 4.29Å; F196-M235 HydrophobicContact CD2-CB 4.01Å; F196-M235 HydrophobicContact CD2-CG 4.38Å; F196-M235 HydrophobicContact CD2-SD 3.93Å; F196-M235 HydrophobicContact CE2-CB 4.21Å; D230-M235 WeakPolarHBondContact O-CA 2.92Å; D230-M235 PolarHBondContact O-N 3.33Å; K233-M235 VanDerWaalsContact C-N 3.27Å; K233-M235 PolarHBondContact O-N 3.49Å; M235-V237 PolarHBondContact O-N 2.84Å
236A98.2Very high97.8Very high48 Ų4855.5 Ų55.540%0.39731%0.306SS..EExtended strand (participates in β ladder)trans-59.2135.4174.700000110.4A229 D230 K233 K234A229-A236 WeakPolarHBondContact CA-O 3.49Å; D230-A236 PolarHBondContact N-O 3.07Å; D230-A236 PolarHBondContact O-N 2.85Å; K233-A236 HydrophobicContact CB-CB 4Å; K233-A236 VanDerWaalsContact O-CB 3.26Å; K233-A236 WeakPolarHBondContact O-CB 3.32Å; K233-A236 PolarHBondContact O-N 3.49Å; K233-A236 VanDerWaalsContact O-N 3.13Å; K234-A236 PolarHBondContact O-N 3.11Å
237V98.6Very high97.8Very high58 Ų5855.6 Ų55.635%0.35231%0.306SS..EExtended strand (participates in β ladder)trans-103.2120.8-176.7-178.80000110F196 W219 C227 L228 A229 M235F196-V237 HydrophobicContact CE2-CG2 4.26Å; F196-V237 HydrophobicContact CZ-CG2 4.12Å; W219-V237 HydrophobicContact CH2-CG1 3.63Å; W219-V237 HydrophobicContact CH2-CG2 4.15Å; W219-V237 HydrophobicContact CZ2-CG1 4.12Å; C227-V237 HydrophobicContact CB-CG1 4.41Å; L228-V237 CarbonylContact O-C 3.51Å; L228-V237 WeakPolarHBondContact O-CA 3.32Å; A229-V237 HydrophobicContact CB-CG2 4.14Å; M235-V237 PolarHBondContact O-N 2.84Å
238A98.5Very high97.8Very high7 Ų756.3 Ų56.36%0.05831%0.309CS..EExtended strand (participates in β ladder)trans-91.4135.816400000109.1C227 L228 Y272 G277 L279C227-A238 CarbonylContact C-O 3.49Å; C227-A238 WeakPolarHBondContact CA-O 3.44Å; L228-A238 PolarHBondContact N-O 3.39Å; L228-A238 PolarHBondContact O-N 3.04Å; A238-Y272 HydrophobicContact CB-CD2 4.35Å; A238-Y272 HydrophobicContact CB-CE2 3.91Å; A238-G277 WeakPolarHBondContact CB-O 3.19Å; A238-L279 HydrophobicContact CB-CD1 4.19Å; A238-L279 HydrophobicContact CB-CG 3.97Å
239T98.4Very high97.8Very high84 Ų8456.7 Ų56.752%0.51531%0.312SS..EExtended strand (participates in β ladder)trans-130.2138.7178.7-62.60000109.3T225 C227T225-T239 HydrophobicContact CG2-CG2 4.32Å; C227-T239 PolarHBondContact SG-OG1 3.11Å; C227-T239 VanDerWaalsContact SG-OG1 3.42Å
240L98.5Very high97.8Very high42 Ų4257.2 Ų57.222%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-131.6124171.6178.867.1000108.9T225 V226 F270 L279 F281T225-L240 WeakPolarHBondContact CA-O 3.4Å; V226-L240 HydrophobicContact CG1-CB 3.9Å; V226-L240 HydrophobicContact CG1-CD2 4.34Å; V226-L240 HydrophobicContact CG1-CG 4.49Å; V226-L240 PolarHBondContact N-O 3.22Å; V226-L240 PolarHBondContact O-N 2.85Å; L240-F270 HydrophobicContact CD2-CD1 3.59Å; L240-F270 HydrophobicContact CD2-CE1 3.62Å; L240-L279 HydrophobicContact CB-CB 3.9Å; L240-L279 HydrophobicContact CD2-CB 4.46Å; L240-F281 HydrophobicContact CD2-CB 4.24Å
241A98Very high97.8Very high73 Ų7357.5 Ų57.560%0.60332%0.317SS*.EExtended strand (participates in β ladder)trans-83.5129.9169.900000109.2T225T225-A241 HydrophobicContact CG2-CB 4.39Å
242S94.9Very high97.8Very high31 Ų3157.1 Ų57.122%0.21731%0.314CS..  trans-82.7150.2171.5-168.40000110.2S224 T244S224-S242 WeakPolarHBondContact O-CB 3.38Å; S224-S242 PolarHBondContact O-N 3.1Å; S242-T244 PolarHBondContact OG-N 3.36Å; S242-T244 PolarHBondContact OG-OG1 3.36Å
243E93.6Very high97.8Very high203 Ų20352.5 Ų52.595%0.94929%0.289SS*.SBendtrans-79.8-9.2168.9-62.4-179.217900112.2
244T95.2Very high97.8Very high62 Ų6250.1 Ų50.138%0.3828%0.28SS..SBendtrans-107.8-173.7-172.671.20000113.2S224 S242 D264S224-T244 WeakPolarHBondContact CB-O 3.38Å; S224-T244 PolarHBondContact OG-O 3.16Å; S242-T244 PolarHBondContact OG-N 3.36Å; S242-T244 PolarHBondContact OG-OG1 3.36Å; T244-D264 WeakPolarHBondContact CB-OD2 3.31Å; T244-D264 PolarHBondContact OG1-OD2 3.14Å
245L97.6Very high97.7Very high93 Ų9343.1 Ų43.149%0.48725%0.253SS..SBendtrans-69.2163.2-176.3-59.6174.8000112.3H263 D264L245-H263 HydrophobicContact CB-CB 3.68Å; L245-H263 HydrophobicContact CD1-CB 4.03Å; L245-H263 HydrophobicContact CG-CB 4.5Å; L245-D264 VanDerWaalsContact CB-OD1 3.3Å; L245-D264 WeakPolarHBondContact CB-OD1 3.37Å; L245-D264 WeakPolarHBondContact CG-OD1 3.48Å; L245-D264 PolarHBondContact N-OD1 2.82Å; L245-D264 PolarHBondContact N-OD2 2.85Å
246P98.6Very high97.6Very high17 Ų1742.4 Ų42.411%0.1125%0.25CS..PPolyproline II helixtrans-63.2143.4-175-23.232.9000114.2H222 H263H222-P246 VanDerWaalsContact O-CG 3.24Å; H222-P246 WeakPolarHBondContact O-CG 3.37Å; P246-H263 PolarHBondContact O-CD2 3.44Å; P246-H263 PolarHBondContact O-N 3Å
247L98.8Very high97.5Very high4 Ų440.1 Ų40.12%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-82.4143.9172.6-61.1165.9000109.9V220 V226 A260 V268 F270V220-L247 HydrophobicContact CB-CB 3.73Å; V220-L247 HydrophobicContact CB-CD1 4.48Å; V220-L247 HydrophobicContact CG1-CB 3.75Å; V220-L247 HydrophobicContact CG1-CD1 3.75Å; V220-L247 HydrophobicContact CG1-CG 4.42Å; V220-L247 HydrophobicContact CG2-CB 3.92Å; V226-L247 HydrophobicContact CB-CD1 4.47Å; L247-A260 HydrophobicContact CD1-CB 3.82Å; L247-A260 HydrophobicContact CD2-CB 4Å; L247-A260 HydrophobicContact CG-CB 4.35Å; L247-V268 HydrophobicContact CD2-CG2 4.01Å; L247-F270 HydrophobicContact CD1-CE2 3.67Å; L247-F270 HydrophobicContact CD1-CZ 3.92Å
248L98.9Very high97.5Very high20 Ų2037.5 Ų37.511%0.10522%0.215CC..EExtended strand (participates in β ladder)trans-112.1-29.6-178.3-63-179.8000112.6H206 A261 M350H206-L248 CarbonylContact C-O 3.56Å; H206-L248 HydrophobicContact CB-CD2 4.24Å; H206-L248 WeakPolarHBondContact CB-O 3.26Å; L248-A261 PolarHBondContact N-O 2.81Å; L248-M350 HydrophobicContact CD1-CE 4.13Å
249A98.8Very high97.5Very high8 Ų837.1 Ų37.17%0.06621%0.212CC..EExtended strand (participates in β ladder)trans-141.3148.4-177.700000111.1A260 A261 I332A249-A260 CarbonylContact O-C 3.55Å; A249-A260 WeakPolarHBondContact O-CA 3.2Å; A249-A260 WeakPolarHBondContact O-CB 3.4Å; A249-A261 PolarHBondContact N-O 2.92Å; A249-A261 PolarHBondContact O-N 2.7Å; A249-I332 HydrophobicContact CB-CB 4.38Å; A249-I332 HydrophobicContact CB-CD1 4.39Å; A249-I332 HydrophobicContact CB-CG1 3.81Å
250L98.8Very high97.5Very high12 Ų1233.1 Ų33.16%0.06319%0.188CC..EExtended strand (participates in β ladder)trans-145.2156.9175.380.4163.7000111.5G207 C209 A218 V220 L258 V259 A260G207-L250 VanDerWaalsContact O-CD2 3.23Å; G207-L250 WeakPolarHBondContact O-CD2 3.38Å; C209-L250 HydrophobicContact CB-CD2 4.5Å; C209-L250 HydrophobicContact CB-CG 4.17Å; A218-L250 HydrophobicContact CB-CD1 3.55Å; V220-L250 HydrophobicContact CG1-CB 4.12Å; V220-L250 HydrophobicContact CG1-CD1 4.17Å; V220-L250 HydrophobicContact CG1-CD2 4.31Å; V220-L250 HydrophobicContact CG1-CG 4.42Å; V220-L250 HydrophobicContact CG2-CD2 4.13Å; L250-L258 HydrophobicContact CD1-CD2 4.41Å; L250-V259 CarbonylContact C-O 3.59Å; L250-V259 VanDerWaalsContact CA-O 3.24Å; L250-V259 WeakPolarHBondContact CA-O 3.14Å; L250-A260 HydrophobicContact CB-CB 3.86Å
251T98.9Very high97.6Very high8 Ų831.1 Ų31.15%0.04918%0.177CC..EExtended strand (participates in β ladder)trans-147.2147.5167.1-173.70000110.5I253 L258 V259 I332 V334T251-I253 HydrophobicContact CG2-CG2 4.3Å; T251-L258 WeakPolarHBondContact O-CA 3.48Å; T251-V259 PolarHBondContact N-O 2.87Å; T251-V259 PolarHBondContact O-N 3.01Å; T251-I332 HydrophobicContact CG2-CG2 3.76Å; T251-V334 HydrophobicContact CG2-CG2 4.09Å; T251-V334 WeakPolarHBondContact OG1-CG2 3.09Å
252F98.8Very high97.6Very high0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-66.5141160.8-77.1-88.5000110.2C209 R216 A218 L228 T254 L258 K339C209-F252 HydrophobicContact CB-CD2 4.37Å; C209-F252 WeakPolarHBondContact O-CE2 3.28Å; R216-F252 HydrophobicContact CB-CZ 4.02Å; A218-F252 HydrophobicContact CB-CE2 3.66Å; A218-F252 HydrophobicContact CB-CZ 3.85Å; L228-F252 HydrophobicContact CD1-CE1 3.89Å; L228-F252 HydrophobicContact CD1-CZ 3.69Å; L228-F252 HydrophobicContact CG-CZ 4.39Å; F252-T254 VanDerWaalsContact CD1-O 3.22Å; F252-T254 WeakPolarHBondContact CD1-O 3.46Å; F252-L258 HydrophobicContact CB-CD2 4.29Å; F252-L258 HydrophobicContact CD1-CD2 3.44Å; F252-L258 VanDerWaalsContact CD1-CD2 3.44Å; F252-L258 HydrophobicContact CD1-CG 4.17Å; F252-L258 HydrophobicContact CD2-CD2 3.59Å; F252-L258 HydrophobicContact CE1-CD2 3.57Å; F252-L258 HydrophobicContact CE1-CG 4.15Å; F252-L258 HydrophobicContact CE2-CD2 3.69Å; F252-L258 HydrophobicContact CG-CD2 3.49Å; F252-L258 VanDerWaalsContact CG-CD2 3.49Å; F252-L258 HydrophobicContact CZ-CD2 3.7Å; F252-K339 HydrophobicContact CB-CB 4.15Å
253I98.1Very high97.7Very high3 Ų329 Ų292%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-117.1-23.8171.755.8156.9000112T251 S257 V259 L269 K339 A340 K341 C342 I371T251-I253 HydrophobicContact CG2-CG2 4.3Å; I253-S257 VanDerWaalsContact CG1-O 3.3Å; I253-S257 WeakPolarHBondContact CG1-O 3.33Å; I253-S257 PolarHBondContact N-O 2.96Å; I253-V259 HydrophobicContact CB-CG2 4.49Å; I253-V259 HydrophobicContact CD1-CG2 3.74Å; I253-V259 HydrophobicContact CG1-CG2 4.07Å; I253-V259 HydrophobicContact CG2-CB 4.18Å; I253-V259 HydrophobicContact CG2-CG2 3.64Å; I253-L269 HydrophobicContact CD1-CD1 3.88Å; I253-K339 CarbonylContact C-O 3.59Å; I253-A340 CarbonylContact O-C 3.59Å; I253-K341 WeakPolarHBondContact O-CA 3.35Å; I253-K341 PolarHBondContact O-N 3.48Å; I253-C342 HydrophobicContact CB-CB 3.68Å; I253-C342 HydrophobicContact CG2-CB 3.76Å; I253-C342 WeakPolarHBondContact O-CB 3.27Å; I253-C342 PolarHBondContact O-N 3.14Å; I253-I371 HydrophobicContact CD1-CD1 4.04Å; I253-I371 HydrophobicContact CD1-CG1 4.4Å; I253-I371 HydrophobicContact CD1-CG2 4.11Å
254T97.4Very high97.9Very high21 Ų2120.5 Ų20.513%0.12911%0.113CC..EExtended strand (participates in β ladder)trans-137.9176.4160.8740000107.4F252 N256 S257 K339 A340 I371 K372F252-T254 VanDerWaalsContact CD1-O 3.22Å; F252-T254 WeakPolarHBondContact CD1-O 3.46Å; T254-N256 PolarHBondContact O-N 3.37Å; T254-N256 VanDerWaalsContact O-N 3.16Å; T254-N256 PolarHBondContact OG1-N 3.3Å; T254-S257 PolarHBondContact N-O 3.3Å; T254-S257 PolarHBondContact O-N 3.26Å; T254-S257 WeakPolarHBondContact OG1-CB 3.36Å; T254-S257 PolarHBondContact OG1-N 2.91Å; T254-S257 PolarHBondContact OG1-OG 3.26Å; T254-K339 CarbonylContact C-O 3.56Å; T254-K339 WeakPolarHBondContact CA-O 3.41Å; T254-K339 PolarHBondContact N-O 2.81Å; T254-A340 WeakPolarHBondContact CA-O 3.33Å; T254-I371 HydrophobicContact CG2-CG2 3.7Å; T254-K372 WeakPolarHBondContact CB-O 3.39Å; T254-K372 PolarHBondContact OG1-O 3.23Å
255D94.1Very high98Very high54 Ų5417.9 Ų17.929%0.28910%0.097SC..THydrogen-bonded Turntrans-65-17.3175-78.9-14.1000113.7A212 R216A212-D255 WeakPolarHBondContact CB-OD1 3.39Å; A212-D255 PolarHBondContact N-OD1 3.03Å; R216-D255 PolarHBondContact NH1-O 3.33Å
256N96.2Very high98Very high43 Ų4315 Ų1523%0.238%0.08CC..THydrogen-bonded Turntrans-1170.1-179.2-63.5-53000113.8R216 T254 T271 Y272R216-N256 PolarHBondContact NH1-OD1 3.33Å; T254-N256 PolarHBondContact O-N 3.37Å; T254-N256 VanDerWaalsContact O-N 3.16Å; T254-N256 PolarHBondContact OG1-N 3.3Å; N256-T271 CarbonylContact O-C 3.53Å; N256-T271 WeakPolarHBondContact O-CA 3.27Å; N256-Y272 PolarHBondContact O-N 3.05Å
257S97.7Very high97.9Very high0 Ų014.2 Ų14.20%08%0.075CC..EExtended strand (participates in β ladder)trans-129.9133.6-174.1-60.40000110.8I253 T254 F270 K372I253-S257 VanDerWaalsContact CG1-O 3.3Å; I253-S257 WeakPolarHBondContact CG1-O 3.33Å; I253-S257 PolarHBondContact N-O 2.96Å; T254-S257 PolarHBondContact N-O 3.3Å; T254-S257 PolarHBondContact O-N 3.26Å; T254-S257 WeakPolarHBondContact OG1-CB 3.36Å; T254-S257 PolarHBondContact OG1-N 2.91Å; T254-S257 PolarHBondContact OG1-OG 3.26Å; S257-F270 WeakPolarHBondContact CA-O 3.21Å; S257-K372 PolarHBondContact OG-N 3.44Å; S257-K372 PolarHBondContact OG-O 2.82Å
258L98.4Very high97.9Very high2 Ų214.3 Ų14.31%0.018%0.076CC..EExtended strand (participates in β ladder)trans-120.7138.4-177-64.5165.6000109.9A218 V226 L228 L250 T251 F252 L269 F270 L279A218-L258 HydrophobicContact CB-CD1 3.83Å; A218-L258 HydrophobicContact CB-CD2 3.74Å; A218-L258 HydrophobicContact CB-CG 4.46Å; V226-L258 HydrophobicContact CG2-CD1 4.34Å; L228-L258 HydrophobicContact CD1-CD1 4.35Å; L250-L258 HydrophobicContact CD1-CD2 4.41Å; T251-L258 WeakPolarHBondContact O-CA 3.48Å; F252-L258 HydrophobicContact CB-CD2 4.29Å; F252-L258 HydrophobicContact CD1-CD2 3.44Å; F252-L258 VanDerWaalsContact CD1-CD2 3.44Å; F252-L258 HydrophobicContact CD1-CG 4.17Å; F252-L258 HydrophobicContact CD2-CD2 3.59Å; F252-L258 HydrophobicContact CE1-CD2 3.57Å; F252-L258 HydrophobicContact CE1-CG 4.15Å; F252-L258 HydrophobicContact CE2-CD2 3.69Å; F252-L258 HydrophobicContact CG-CD2 3.49Å; F252-L258 VanDerWaalsContact CG-CD2 3.49Å; F252-L258 HydrophobicContact CZ-CD2 3.7Å; L258-L269 CarbonylContact O-C 3.56Å; L258-L269 WeakPolarHBondContact O-CA 3.36Å; L258-L269 WeakPolarHBondContact O-CD1 3.41Å; L258-F270 HydrophobicContact CB-CB 4.21Å; L258-F270 PolarHBondContact N-O 2.9Å; L258-F270 PolarHBondContact O-N 2.81Å; L258-L279 HydrophobicContact CD1-CD2 4.21Å
259V98.6Very high97.8Very high0 Ų013.4 Ų13.40%07%0.071CC..EExtended strand (participates in β ladder)trans-107.3133.1163.6175.70000108.6L250 T251 I253 P267 V268 L285 I332 F345L250-V259 CarbonylContact C-O 3.59Å; L250-V259 VanDerWaalsContact CA-O 3.24Å; L250-V259 WeakPolarHBondContact CA-O 3.14Å; T251-V259 PolarHBondContact N-O 2.87Å; T251-V259 PolarHBondContact O-N 3.01Å; I253-V259 HydrophobicContact CB-CG2 4.49Å; I253-V259 HydrophobicContact CD1-CG2 3.74Å; I253-V259 HydrophobicContact CG1-CG2 4.07Å; I253-V259 HydrophobicContact CG2-CB 4.18Å; I253-V259 HydrophobicContact CG2-CG2 3.64Å; V259-P267 HydrophobicContact CG1-CB 3.96Å; V259-V268 WeakPolarHBondContact CA-O 3.47Å; V259-L285 HydrophobicContact CG1-CD1 4.08Å; V259-L285 HydrophobicContact CG2-CD1 3.91Å; V259-I332 HydrophobicContact CG1-CD1 4.29Å; V259-F345 HydrophobicContact CG1-CD2 4.37Å; V259-F345 HydrophobicContact CG1-CE1 4.45Å; V259-F345 HydrophobicContact CG1-CE2 3.81Å; V259-F345 HydrophobicContact CG1-CZ 3.86Å; V259-F345 HydrophobicContact CG2-CE1 4.29Å; V259-F345 HydrophobicContact CG2-CZ 4.43Å
260A98.8Very high97.8Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans-135158.5175.900000111.5V220 L247 A249 L250 P267 V268 F270V220-A260 HydrophobicContact CG1-CB 4.41Å; L247-A260 HydrophobicContact CD1-CB 3.82Å; L247-A260 HydrophobicContact CD2-CB 4Å; L247-A260 HydrophobicContact CG-CB 4.35Å; A249-A260 CarbonylContact O-C 3.55Å; A249-A260 WeakPolarHBondContact O-CA 3.2Å; A249-A260 WeakPolarHBondContact O-CB 3.4Å; L250-A260 HydrophobicContact CB-CB 3.86Å; A260-P267 CarbonylContact O-C 3.59Å; A260-P267 WeakPolarHBondContact O-CA 3.39Å; A260-V268 HydrophobicContact CB-CG2 4.37Å; A260-V268 PolarHBondContact N-O 3.42Å; A260-V268 WeakPolarHBondContact O-CG2 3.38Å; A260-V268 PolarHBondContact O-N 3.41Å; A260-F270 HydrophobicContact CB-CD2 4.35Å; A260-F270 HydrophobicContact CB-CE2 4.09Å
261A98.8Very high97.7Very high0 Ų013.5 Ų13.50%07%0.072CC..EExtended strand (participates in β ladder)trans-153.9160.4176.100000110.1L248 A249 V329 I332L248-A261 PolarHBondContact N-O 2.81Å; A249-A261 PolarHBondContact N-O 2.92Å; A249-A261 PolarHBondContact O-N 2.7Å; A261-V329 HydrophobicContact CB-CB 3.69Å; A261-V329 HydrophobicContact CB-CG1 3.6Å; A261-V329 HydrophobicContact CB-CG2 4.25Å; A261-I332 HydrophobicContact CB-CD1 3.73Å; A261-I332 HydrophobicContact CB-CG1 4.4Å
262G98.5Very high97.7Very high1 Ų113.4 Ų13.41%0.017%0.07CC..EExtended strand (participates in β ladder)trans-171.1-12917900000112.5D264 C265 S328 V329G262-D264 VanDerWaalsContact C-N 3.27Å; G262-D264 PolarHBondContact O-N 3.38Å; G262-C265 PolarHBondContact O-N 3.44Å; G262-C265 VanDerWaalsContact O-N 3.12Å; G262-S328 WeakPolarHBondContact O-CA 3.4Å; G262-V329 WeakPolarHBondContact CA-O 3.44Å; G262-V329 PolarHBondContact O-N 3.48Å
263H98.3Very high97.6Very high57 Ų5716.2 Ų16.226%0.2649%0.085SC..THydrogen-bonded Turntrans-70-19.3-173.3-71.1-61.4000114.6H222 L245 P246 C265 S328H222-H263 AromaticContact CE1-NE2 3.92Å; L245-H263 HydrophobicContact CB-CB 3.68Å; L245-H263 HydrophobicContact CD1-CB 4.03Å; L245-H263 HydrophobicContact CG-CB 4.5Å; P246-H263 PolarHBondContact O-CD2 3.44Å; P246-H263 PolarHBondContact O-N 3Å; H263-C265 PolarHBondContact O-N 3.35Å; H263-C265 PolarHBondContact O-SG 3.03Å; H263-S328 PolarHBondContact ND1-OG 3.13Å
264D96.7Very high97.4Very high26 Ų2617.8 Ų17.814%0.13910%0.099CC..THydrogen-bonded Turntrans-70.1-8171.8-63-43.6000113.3T244 L245 G262 F266T244-D264 WeakPolarHBondContact CB-OD2 3.31Å; T244-D264 PolarHBondContact OG1-OD2 3.14Å; L245-D264 VanDerWaalsContact CB-OD1 3.3Å; L245-D264 WeakPolarHBondContact CB-OD1 3.37Å; L245-D264 WeakPolarHBondContact CG-OD1 3.48Å; L245-D264 PolarHBondContact N-OD1 2.82Å; L245-D264 PolarHBondContact N-OD2 2.85Å; G262-D264 VanDerWaalsContact C-N 3.27Å; G262-D264 PolarHBondContact O-N 3.38Å; D264-F266 HydrophobicContact CB-CD1 4.18Å; D264-F266 HydrophobicContact CB-CD2 4.47Å; D264-F266 HydrophobicContact CB-CE1 3.71Å; D264-F266 HydrophobicContact CB-CE2 4.02Å; D264-F266 HydrophobicContact CB-CZ 3.62Å; D264-F266 WeakPolarHBondContact O-CD1 3.38Å; D264-F266 VanDerWaalsContact O-CE1 3.23Å; D264-F266 WeakPolarHBondContact O-CE1 3.26Å; D264-F266 PolarHBondContact O-N 3.06Å
265C97.7Very high97.3Very high7 Ų721.2 Ų21.25%0.04713%0.129CC..SBendtrans67.513.7176.6-47.60000115G262 H263 L321 H325 N327G262-C265 PolarHBondContact O-N 3.44Å; G262-C265 VanDerWaalsContact O-N 3.12Å; H263-C265 PolarHBondContact O-N 3.35Å; H263-C265 PolarHBondContact O-SG 3.03Å; C265-L321 HydrophobicContact CB-CD2 4.21Å; C265-H325 HydrophobicContact CB-CB 4.38Å; C265-H325 WeakPolarHBondContact O-CB 3.32Å; C265-N327 PolarHBondContact SG-O 3.42Å; C265-N327 VanDerWaalsContact SG-O 3.35Å
266F96.9Very high97.4Very high32 Ų3221.9 Ų21.914%0.1414%0.142CC..SBendtrans-140.5155.3174.451.3-102.8000113D264 V268 R284 D286D264-F266 HydrophobicContact CB-CD1 4.18Å; D264-F266 HydrophobicContact CB-CD2 4.47Å; D264-F266 HydrophobicContact CB-CE1 3.71Å; D264-F266 HydrophobicContact CB-CE2 4.02Å; D264-F266 HydrophobicContact CB-CZ 3.62Å; D264-F266 WeakPolarHBondContact O-CD1 3.38Å; D264-F266 VanDerWaalsContact O-CE1 3.23Å; D264-F266 WeakPolarHBondContact O-CE1 3.26Å; D264-F266 PolarHBondContact O-N 3.06Å; F266-V268 HydrophobicContact CD2-CG1 3.82Å; F266-V268 HydrophobicContact CE2-CG1 3.67Å; F266-R284 HydrophobicContact CD2-CB 4.47Å; F266-R284 HydrophobicContact CD2-CG 3.66Å; F266-R284 HydrophobicContact CE2-CB 4.3Å; F266-R284 HydrophobicContact CE2-CG 3.81Å; F266-R284 HydrophobicContact CG-CG 4.22Å; F266-R284 HydrophobicContact CZ-CG 4.45Å; F266-D286 HydrophobicContact CB-CB 3.61Å
267P97.9Very high97.3Very high0 Ų021.1 Ų21.10%014%0.144CC..  trans-75.3143.5171.929.4-34.3000113V259 A260 L285 F345 W357V259-P267 HydrophobicContact CG1-CB 3.96Å; A260-P267 CarbonylContact O-C 3.59Å; A260-P267 WeakPolarHBondContact O-CA 3.39Å; P267-L285 HydrophobicContact CB-CB 4.41Å; P267-L285 HydrophobicContact CB-CD1 4.3Å; P267-L285 HydrophobicContact CG-CB 4.12Å; P267-L285 WeakPolarHBondContact O-CB 3.44Å; P267-L285 PolarHBondContact O-N 2.96Å; P267-F345 HydrophobicContact CB-CE2 4.17Å; P267-F345 HydrophobicContact CB-CZ 4.38Å; P267-F345 HydrophobicContact CG-CE2 4.44Å; P267-W357 HydrophobicContact CG-CD2 3.97Å; P267-W357 HydrophobicContact CG-CE3 3.95Å; P267-W357 HydrophobicContact CG-CH2 3.64Å; P267-W357 HydrophobicContact CG-CZ2 3.62Å; P267-W357 HydrophobicContact CG-CZ3 3.78Å
268V97.7Very high97.3Very high6 Ų626.2 Ų26.24%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-126.8152.2175.2-64.50000111L247 V259 A260 F266 F270 F281 G283L247-V268 HydrophobicContact CD2-CG2 4.01Å; V259-V268 WeakPolarHBondContact CA-O 3.47Å; A260-V268 HydrophobicContact CB-CG2 4.37Å; A260-V268 PolarHBondContact N-O 3.42Å; A260-V268 WeakPolarHBondContact O-CG2 3.38Å; A260-V268 PolarHBondContact O-N 3.41Å; F266-V268 HydrophobicContact CD2-CG1 3.82Å; F266-V268 HydrophobicContact CE2-CG1 3.67Å; V268-F270 HydrophobicContact CG2-CD2 4.3Å; V268-F270 HydrophobicContact CG2-CE2 3.52Å; V268-F270 HydrophobicContact CG2-CZ 4.03Å; V268-F281 HydrophobicContact CB-CE2 3.86Å; V268-F281 HydrophobicContact CG1-CE2 3.98Å; V268-F281 HydrophobicContact CG1-CZ 4.34Å; V268-F281 HydrophobicContact CG2-CE2 4.48Å; V268-G283 WeakPolarHBondContact CA-O 3.38Å
269L97.8Very high97.3Very high1 Ų126.4 Ų26.41%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-97.5139.6174.7178.869.2000110.4I253 L258 T271 G282 G283 L285 L369 I371I253-L269 HydrophobicContact CD1-CD1 3.88Å; L258-L269 CarbonylContact O-C 3.56Å; L258-L269 WeakPolarHBondContact O-CA 3.36Å; L258-L269 WeakPolarHBondContact O-CD1 3.41Å; L269-T271 HydrophobicContact CD2-CG2 4.3Å; L269-T271 HydrophobicContact CG-CG2 4.37Å; L269-G282 WeakPolarHBondContact O-CA 3.3Å; L269-G282 PolarHBondContact O-N 2.62Å; L269-G283 PolarHBondContact N-O 2.84Å; L269-L285 HydrophobicContact CB-CD1 4.46Å; L269-L285 HydrophobicContact CB-CD2 4.12Å; L269-L285 HydrophobicContact CB-CG 4.36Å; L269-L369 HydrophobicContact CB-CD1 4.32Å; L269-L369 HydrophobicContact CD2-CD1 3.44Å; L269-L369 VanDerWaalsContact CD2-CD1 3.44Å; L269-L369 HydrophobicContact CD2-CG 3.95Å; L269-L369 HydrophobicContact CG-CD1 4.5Å; L269-I371 HydrophobicContact CD1-CG1 4.46Å; L269-I371 HydrophobicContact CD2-CG1 4.1Å
270F97.9Very high97.2Very high2 Ų228.5 Ų28.51%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-124147.9161.7-61.7-84.3000109.9V226 L240 L247 S257 L258 A260 V268 S280 F281V226-F270 HydrophobicContact CB-CE2 4.43Å; V226-F270 HydrophobicContact CB-CZ 4.46Å; V226-F270 HydrophobicContact CG1-CD1 3.73Å; V226-F270 HydrophobicContact CG1-CD2 4.24Å; V226-F270 HydrophobicContact CG1-CE1 3.6Å; V226-F270 HydrophobicContact CG1-CE2 4.13Å; V226-F270 HydrophobicContact CG1-CG 4.04Å; V226-F270 HydrophobicContact CG1-CZ 3.82Å; V226-F270 HydrophobicContact CG2-CD2 4.44Å; L240-F270 HydrophobicContact CD2-CD1 3.59Å; L240-F270 HydrophobicContact CD2-CE1 3.62Å; L247-F270 HydrophobicContact CD1-CE2 3.67Å; L247-F270 HydrophobicContact CD1-CZ 3.92Å; S257-F270 WeakPolarHBondContact CA-O 3.21Å; L258-F270 HydrophobicContact CB-CB 4.21Å; L258-F270 PolarHBondContact N-O 2.9Å; L258-F270 PolarHBondContact O-N 2.81Å; A260-F270 HydrophobicContact CB-CD2 4.35Å; A260-F270 HydrophobicContact CB-CE2 4.09Å; V268-F270 HydrophobicContact CG2-CD2 4.3Å; V268-F270 HydrophobicContact CG2-CE2 3.52Å; V268-F270 HydrophobicContact CG2-CZ 4.03Å; F270-S280 WeakPolarHBondContact CA-O 3.08Å; F270-F281 HydrophobicContact CD1-CB 4.46Å; F270-F281 HydrophobicContact CD1-CD2 4.16Å; F270-F281 HydrophobicContact CE1-CB 4.36Å; F270-F281 AromaticContact CE1-CD2 3.67Å; F270-F281 HydrophobicContact CE1-CD2 3.67Å; F270-F281 HydrophobicContact CZ-CD2 4.1Å
271T97.6Very high97.1Very high21 Ų2134 Ų3413%0.12921%0.209CC..EExtended strand (participates in β ladder)trans-122.8145.1175.858.70000110.3N256 L269 L279 S280 K370N256-T271 CarbonylContact O-C 3.53Å; N256-T271 WeakPolarHBondContact O-CA 3.27Å; L269-T271 HydrophobicContact CD2-CG2 4.3Å; L269-T271 HydrophobicContact CG-CG2 4.37Å; T271-L279 WeakPolarHBondContact O-CA 3.4Å; T271-S280 PolarHBondContact N-O 2.87Å; T271-S280 PolarHBondContact O-N 2.9Å; T271-K370 WeakPolarHBondContact CG2-O 2.9Å
272Y97.6Very high96.8Very high6 Ų635.2 Ų35.22%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-110.5118.8176.8179.9-116.1000109.5L228 D230 A238 N256 A274 M278 L279L228-Y272 HydrophobicContact CD1-CD1 4.32Å; L228-Y272 HydrophobicContact CD1-CD2 4.26Å; L228-Y272 HydrophobicContact CD1-CG 3.95Å; L228-Y272 HydrophobicContact CD2-CD1 4.21Å; L228-Y272 HydrophobicContact CD2-CD2 4.06Å; L228-Y272 HydrophobicContact CD2-CE1 4.05Å; L228-Y272 HydrophobicContact CD2-CE2 3.9Å; L228-Y272 HydrophobicContact CD2-CG 4.21Å; D230-Y272 WeakPolarHBondContact OD2-CE1 3.39Å; A238-Y272 HydrophobicContact CB-CD2 4.35Å; A238-Y272 HydrophobicContact CB-CE2 3.91Å; N256-Y272 PolarHBondContact O-N 3.05Å; Y272-A274 HydrophobicContact CD1-CB 4.26Å; Y272-A274 HydrophobicContact CE1-CB 3.97Å; Y272-A274 PolarHBondContact O-N 3.32Å; Y272-M278 WeakPolarHBondContact CD2-O 3.33Å; Y272-L279 HydrophobicContact CD2-CD2 4.21Å; Y272-L279 HydrophobicContact CD2-CG 4.31Å
273D96.6Very high96.5Very high59 Ų5936 Ų3632%0.31623%0.229SC..EExtended strand (participates in β ladder)trans-85.1102.8169.7-169.4-45.4000108.8A275 A276 G277 M278D273-A275 PolarHBondContact O-N 2.96Å; D273-A275 WeakPolarHBondContact OD1-CA 3.18Å; D273-A275 WeakPolarHBondContact OD1-CB 3.37Å; D273-A275 PolarHBondContact OD1-N 3.43Å; D273-A276 HydrophobicContact CB-CB 4.11Å; D273-A276 PolarHBondContact O-N 3.39Å; D273-A276 PolarHBondContact OD1-N 3.32Å; D273-G277 WeakPolarHBondContact O-CA 3.23Å; D273-G277 PolarHBondContact O-N 2.91Å; D273-M278 PolarHBondContact N-O 3.01Å; D273-M278 PolarHBondContact O-N 3.1Å
274A94.1Very high96.3Very high36 Ų3636.4 Ų36.430%0.29823%0.229SC..THydrogen-bonded Turntrans-67.3-19.1-179.900000113.5R216 K233 Y272R216-A274 VanDerWaalsContact NH2-CB 3.35Å; K233-A274 WeakPolarHBondContact CE-O 3.47Å; K233-A274 PolarHBondContact NZ-O 2.74Å; Y272-A274 HydrophobicContact CD1-CB 4.26Å; Y272-A274 HydrophobicContact CE1-CB 3.97Å; Y272-A274 PolarHBondContact O-N 3.32Å
275A95.1Very high96.2Very high92 Ų9235.4 Ų35.476%0.7622%0.223SC*.THydrogen-bonded Turntrans-77.7-53.3173.600000109.5K233 D273 G277K233-A275 PolarHBondContact NZ-O 2.86Å; D273-A275 PolarHBondContact O-N 2.96Å; D273-A275 WeakPolarHBondContact OD1-CA 3.18Å; D273-A275 WeakPolarHBondContact OD1-CB 3.37Å; D273-A275 PolarHBondContact OD1-N 3.43Å; A275-G277 VanDerWaalsContact C-N 3.33Å; A275-G277 PolarHBondContact O-N 3.31Å
276A95.8Very high96Very high69 Ų6935.1 Ų35.157%0.5722%0.221SC*.THydrogen-bonded Turntrans-72.9-22.7-178.900000113.7D273 M278D273-A276 HydrophobicContact CB-CB 4.11Å; D273-A276 PolarHBondContact O-N 3.39Å; D273-A276 PolarHBondContact OD1-N 3.32Å; A276-M278 HydrophobicContact CB-CB 4.22Å
277G96.1Very high95.4Very high26 Ų2636.7 Ų36.727%0.26823%0.233SC..THydrogen-bonded Turntrans6935.1-172.300000112.9A238 D273 A275A238-G277 WeakPolarHBondContact CB-O 3.19Å; D273-G277 WeakPolarHBondContact O-CA 3.23Å; D273-G277 PolarHBondContact O-N 2.91Å; A275-G277 VanDerWaalsContact C-N 3.33Å; A275-G277 PolarHBondContact O-N 3.31Å
278M97.1Very high94.4Very high108 Ų10839.6 Ų39.653%0.53225%0.252SS..EExtended strand (participates in β ladder)trans-124.6140.9-171.2-170.817270.300111.7Y272 D273 A276Y272-M278 WeakPolarHBondContact CD2-O 3.33Å; D273-M278 PolarHBondContact N-O 3.01Å; D273-M278 PolarHBondContact O-N 3.1Å; A276-M278 HydrophobicContact CB-CB 4.22Å
279L97.8Very high92.8Very high6 Ų649 Ų493%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-91.5138.1169-79.6169.9000110.1V226 L228 A238 L240 L258 T271 Y272V226-L279 HydrophobicContact CG1-CD1 4.34Å; L228-L279 HydrophobicContact CB-CD1 3.94Å; L228-L279 HydrophobicContact CB-CD2 4.28Å; L228-L279 HydrophobicContact CB-CG 4.32Å; L228-L279 HydrophobicContact CD1-CD2 4.43Å; A238-L279 HydrophobicContact CB-CD1 4.19Å; A238-L279 HydrophobicContact CB-CG 3.97Å; L240-L279 HydrophobicContact CB-CB 3.9Å; L240-L279 HydrophobicContact CD2-CB 4.46Å; L258-L279 HydrophobicContact CD1-CD2 4.21Å; T271-L279 WeakPolarHBondContact O-CA 3.4Å; Y272-L279 HydrophobicContact CD2-CD2 4.21Å; Y272-L279 HydrophobicContact CD2-CG 4.31Å
280S97Very high90.4Very high44 Ų4457.9 Ų57.931%0.30833%0.334SS..EExtended strand (participates in β ladder)trans-129.4141.7177.2-62.20000110.6F270 T271 G282F270-S280 WeakPolarHBondContact CA-O 3.08Å; T271-S280 PolarHBondContact N-O 2.87Å; T271-S280 PolarHBondContact O-N 2.9Å; S280-G282 PolarHBondContact O-N 3.03Å
281F96.5Very high87.6Confident116 Ų11663 Ų6351%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-69.5122.8171.6-178.3-114.9000110L240 V268 F270L240-F281 HydrophobicContact CD2-CB 4.24Å; V268-F281 HydrophobicContact CB-CE2 3.86Å; V268-F281 HydrophobicContact CG1-CE2 3.98Å; V268-F281 HydrophobicContact CG1-CZ 4.34Å; V268-F281 HydrophobicContact CG2-CE2 4.48Å; F270-F281 HydrophobicContact CD1-CB 4.46Å; F270-F281 HydrophobicContact CD1-CD2 4.16Å; F270-F281 HydrophobicContact CE1-CB 4.36Å; F270-F281 AromaticContact CE1-CD2 3.67Å; F270-F281 HydrophobicContact CE1-CD2 3.67Å; F270-F281 HydrophobicContact CZ-CD2 4.1Å
282G92.3Very high84.6Confident24 Ų2466.5 Ų66.525%0.24740%0.395CS..EExtended strand (participates in β ladder)trans-96.4-9.2-17800000114.3L269 S280L269-G282 WeakPolarHBondContact O-CA 3.3Å; L269-G282 PolarHBondContact O-N 2.62Å; S280-G282 PolarHBondContact O-N 3.03Å
283G92.6Very high81.7Confident18 Ų1875.8 Ų75.819%0.18644%0.439CS..EExtended strand (participates in β ladder)trans116.8166.3173.700000115.2V268 L269V268-G283 WeakPolarHBondContact CA-O 3.38Å; L269-G283 PolarHBondContact N-O 2.84Å
284R94.4Very high79.2Confident65 Ų6583.6 Ų83.625%0.24546%0.464CS..EExtended strand (participates in β ladder)trans-74.4129.2172175.6174.5175.6-178.33.9109.9F266 D286 D322F266-R284 HydrophobicContact CD2-CB 4.47Å; F266-R284 HydrophobicContact CD2-CG 3.66Å; F266-R284 HydrophobicContact CE2-CB 4.3Å; F266-R284 HydrophobicContact CE2-CG 3.81Å; F266-R284 HydrophobicContact CG-CG 4.22Å; F266-R284 HydrophobicContact CZ-CG 4.45Å; R284-D286 PolarHBondContact NE-O 3.33Å; R284-D286 PolarHBondContact NH2-O 2.97Å; R284-D322 IonicContact CZ-OD1 3.53Å; R284-D322 IonicContact CZ-OD2 3.52Å; R284-D322 IonicContact NH1-OD1 3.34Å; R284-D322 PolarHBondContact NH1-OD1 3.34Å; R284-D322 IonicContact NH1-OD2 2.85Å; R284-D322 PolarHBondContact NH1-OD2 3.24Å; R284-D322 IonicContact NH2-OD1 2.8Å; R284-D322 PolarHBondContact NH2-OD1 3.44Å; R284-D322 IonicContact NH2-OD2 3.3Å; R284-D322 PolarHBondContact NH2-OD2 3.06Å
285L94.2Very high76.7Confident5 Ų585.3 Ų85.33%0.02649%0.485CS..SBendtrans-90.7-24.7-178.5-62.7178.1000112.8V259 P267 L269 V287 F345 L362 L366 L369V259-L285 HydrophobicContact CG1-CD1 4.08Å; V259-L285 HydrophobicContact CG2-CD1 3.91Å; P267-L285 HydrophobicContact CB-CB 4.41Å; P267-L285 HydrophobicContact CB-CD1 4.3Å; P267-L285 HydrophobicContact CG-CB 4.12Å; P267-L285 WeakPolarHBondContact O-CB 3.44Å; P267-L285 PolarHBondContact O-N 2.96Å; L269-L285 HydrophobicContact CB-CD1 4.46Å; L269-L285 HydrophobicContact CB-CD2 4.12Å; L269-L285 HydrophobicContact CB-CG 4.36Å; L285-V287 PolarHBondContact O-N 2.9Å; L285-F345 HydrophobicContact CD1-CZ 4.14Å; L285-L362 HydrophobicContact CB-CD1 4.24Å; L285-L362 HydrophobicContact CB-CD2 4.44Å; L285-L362 HydrophobicContact CD1-CD1 4.3Å; L285-L362 HydrophobicContact CD2-CD1 4.41Å; L285-L362 VanDerWaalsContact O-CD2 3.28Å; L285-L362 WeakPolarHBondContact O-CD2 3.08Å; L285-L366 HydrophobicContact CD2-CD1 4.16Å; L285-L369 HydrophobicContact CD2-CD1 3.63Å; L285-L369 HydrophobicContact CD2-CD2 3.84Å; L285-L369 HydrophobicContact CD2-CG 4.41Å
286D92.3Very high74.7Confident1 Ų185.3 Ų85.31%0.00547%0.472CS..  trans-89.686175.7-174.38000110.8F266 R284 S323 L324 W357F266-D286 HydrophobicContact CB-CB 3.61Å; R284-D286 PolarHBondContact NE-O 3.33Å; R284-D286 PolarHBondContact NH2-O 2.97Å; D286-S323 WeakPolarHBondContact OD2-CA 3.42Å; D286-S323 WeakPolarHBondContact OD2-CB 3.2Å; D286-L324 WeakPolarHBondContact OD1-CD1 3.5Å; D286-L324 PolarHBondContact OD2-N 2.86Å; D286-W357 HydrophobicContact CB-CH2 3.77Å; D286-W357 HydrophobicContact CB-CZ3 3.96Å
287V85.3Confident73.3Confident65 Ų6585.8 Ų85.839%0.39447%0.468SS..  trans-102.9119.6175.8-177.50000108.9L285 K289 L366L285-V287 PolarHBondContact O-N 2.9Å; V287-K289 PolarHBondContact O-N 2.76Å; V287-L366 HydrophobicContact CB-CD2 4.13Å; V287-L366 HydrophobicContact CG2-CD2 3.52Å
288P76.8Confident71.4Confident62 Ų6288.4 Ų88.440%0.40349%0.487SS..  trans-54.3134.4173.8-22.231000109.3Q290 D322P288-Q290 PolarHBondContact O-N 2.85Å; P288-D322 HydrophobicContact CG-CB 4.17Å
289K63.4Low69.5Low202 Ų20292.5 Ų92.588%0.87850%0.496SS*.  trans-58.3111170-70.8-176179-179.10107.1V287 S291V287-K289 PolarHBondContact O-N 2.76Å; K289-S291 PolarHBondContact O-N 2.98Å
290Q48.1Very low67.5Low189 Ų18996.1 Ų96.188%0.88351%0.513SS*.  trans-53117165.4-78.1-177.1-8.800106.1P288 S292P288-Q290 PolarHBondContact O-N 2.85Å; Q290-S292 VanDerWaalsContact C-N 3.31Å; Q290-S292 PolarHBondContact O-N 3.46Å
291S38.8Very low65.7Low109 Ų109101.5 Ų101.576%0.76253%0.527SS*.  trans-61.3101.3172.355.60000106.5K289 Q293K289-S291 PolarHBondContact O-N 2.98Å; S291-Q293 PolarHBondContact O-N 2.82Å; S291-Q293 VanDerWaalsContact O-N 3.1Å
292S34.8Very low64Low94 Ų94102.6 Ų102.666%0.65753%0.532SS*.  trans-49.4122.6154.755.80000105.3Q290 R294Q290-S292 VanDerWaalsContact C-N 3.31Å; Q290-S292 PolarHBondContact O-N 3.46Å; S292-R294 PolarHBondContact O-N 2.98Å
293Q37Very low62.4Low202 Ų202106.3 Ų106.394%0.94454%0.543SS*.  trans-5782.7172.8-76.7-177.4-2200109.1S291S291-Q293 PolarHBondContact O-N 2.82Å; S291-Q293 VanDerWaalsContact O-N 3.1Å
294R43.6Very low60.5Low223 Ų223109.2 Ų109.284%0.84255%0.554SS**PPolyproline II helixtrans-95.2117.3163-112.7-177.8171.5-177.8-2.2104.5S292 L296S292-R294 PolarHBondContact O-N 2.98Å; R294-L296 PolarHBondContact O-N 3.35Å
295G42.5Very low58.4Low71 Ų71111.6 Ų111.673%0.73257%0.571SS**PPolyproline II helixtrans-50.2117.717900000110T297G295-T297 PolarHBondContact O-N 2.85Å
296L52.6Low56.1Low93 Ų93116.3 Ų116.349%0.48760%0.596SS.*PPolyproline II helixtrans-55.6129.7174.3-75.7148.4000109.2R294 E300 R301R294-L296 PolarHBondContact O-N 3.35Å; L296-E300 HydrophobicContact CD2-CB 3.84Å; L296-R301 HydrophobicContact CB-CG 4.08Å; L296-R301 PolarHBondContact O-NE 2.68Å
297T65.3Low54.2Low78 Ų78123.6 Ų123.648%0.47963%0.628SS.*PPolyproline II helixtrans-64.7156.2174.562.50000110.5G295 R299 E300 R301G295-T297 PolarHBondContact O-N 2.85Å; T297-R299 PolarHBondContact O-N 3.17Å; T297-R299 VanDerWaalsContact O-N 3.14Å; T297-E300 PolarHBondContact N-OE2 3.07Å; T297-E300 PolarHBondContact O-N 3.4Å; T297-E300 VanDerWaalsContact O-N 3.1Å; T297-E300 VanDerWaalsContact OG1-CD 3.27Å; T297-E300 WeakPolarHBondContact OG1-CG 3.48Å; T297-E300 PolarHBondContact OG1-N 3.03Å; T297-E300 PolarHBondContact OG1-OE2 2.87Å; T297-R301 PolarHBondContact O-N 2.94Å
298A56.3Low52.3Low82 Ų82128.4 Ų128.468%0.67864%0.643SS**Hα-helixtrans-56.5-31.4179.200000112.9R301 F302A298-R301 PolarHBondContact O-N 3.19Å; A298-F302 PolarHBondContact O-N 2.81Å
299R58.8Low50.6Low193 Ų193129.2 Ų129.273%0.72866%0.655SS**Hα-helixtrans-69.4-41.2177.1-170.4176.4-179.5169.71.2112.6T297 R301 F302 Q303T297-R299 PolarHBondContact O-N 3.17Å; T297-R299 VanDerWaalsContact O-N 3.14Å; R299-R301 VanDerWaalsContact C-N 3.33Å; R299-F302 PolarHBondContact O-N 3.24Å; R299-Q303 WeakPolarHBondContact O-CG 3.45Å; R299-Q303 PolarHBondContact O-N 3.31Å
300E54.9Low49.7Very low83 Ų83124.5 Ų124.539%0.38865%0.648SS.*Hα-helixtrans-69.1-34.1175.7-69163.7146.600111.2L296 T297 N304L296-E300 HydrophobicContact CD2-CB 3.84Å; T297-E300 PolarHBondContact N-OE2 3.07Å; T297-E300 PolarHBondContact O-N 3.4Å; T297-E300 VanDerWaalsContact O-N 3.1Å; T297-E300 VanDerWaalsContact OG1-CD 3.27Å; T297-E300 WeakPolarHBondContact OG1-CG 3.48Å; T297-E300 PolarHBondContact OG1-N 3.03Å; T297-E300 PolarHBondContact OG1-OE2 2.87Å; E300-N304 WeakPolarHBondContact O-CB 3.37Å; E300-N304 PolarHBondContact O-N 2.75Å; E300-N304 VanDerWaalsContact O-N 3.12Å; E300-N304 PolarHBondContact O-ND2 2.79Å
301R59Low49.6Very low157 Ų157119.7 Ų119.759%0.59264%0.635SS**Hα-helixtrans-63.6-42.9172.5-68.4-176.5-175.1-151.4-1.5111.8L296 T297 A298 R299 N304 L305L296-R301 HydrophobicContact CB-CG 4.08Å; L296-R301 PolarHBondContact O-NE 2.68Å; T297-R301 PolarHBondContact O-N 2.94Å; A298-R301 PolarHBondContact O-N 3.19Å; R299-R301 VanDerWaalsContact C-N 3.33Å; R301-N304 PolarHBondContact O-N 3.37Å; R301-L305 PolarHBondContact O-N 3.34Å
302F61.7Low49.6Very low138 Ų138123.8 Ų123.861%0.60564%0.642SS**Hα-helixtrans-66.6-44.2179.5-160.8-92000112.1A298 R299 N304 L305 D306A298-F302 PolarHBondContact O-N 2.81Å; R299-F302 PolarHBondContact O-N 3.24Å; F302-N304 VanDerWaalsContact C-N 3.26Å; F302-N304 PolarHBondContact O-N 2.73Å; F302-L305 WeakPolarHBondContact O-CB 3.34Å; F302-L305 PolarHBondContact O-N 2.9Å; F302-L305 VanDerWaalsContact O-N 3.17Å; F302-D306 PolarHBondContact O-N 2.99Å
303Q57.1Low49.5Very low103 Ų103123 Ų12348%0.48165%0.649SS.*Hα-helixtrans-64.3-29.7176.6-71.5177.1-14.900113.5R299R299-Q303 WeakPolarHBondContact O-CG 3.45Å; R299-Q303 PolarHBondContact O-N 3.31Å
304N54.5Low49.4Very low78 Ų78117 Ų11742%0.41764%0.641SS.*Hα-helixtrans-81.6-23.8176.6-72.6-20.6000113.1E300 R301 F302 K308E300-N304 WeakPolarHBondContact O-CB 3.37Å; E300-N304 PolarHBondContact O-N 2.75Å; E300-N304 VanDerWaalsContact O-N 3.12Å; E300-N304 PolarHBondContact O-ND2 2.79Å; R301-N304 PolarHBondContact O-N 3.37Å; F302-N304 VanDerWaalsContact C-N 3.26Å; F302-N304 PolarHBondContact O-N 2.73Å; N304-K308 PolarHBondContact O-N 2.66Å
305L48.6Very low48.8Very low116 Ų116112.5 Ų112.561%0.60764%0.639SS**Hα-helixtrans-70.5-43.4173.1-98.3151.2000111.2R301 F302 K307 K308 A309R301-L305 PolarHBondContact O-N 3.34Å; F302-L305 WeakPolarHBondContact O-CB 3.34Å; F302-L305 PolarHBondContact O-N 2.9Å; F302-L305 VanDerWaalsContact O-N 3.17Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 2.64Å; L305-K308 PolarHBondContact O-N 2.83Å; L305-K308 VanDerWaalsContact O-N 3.13Å; L305-A309 PolarHBondContact O-N 3.1Å
306D46.9Very low48.4Very low103 Ų103115.7 Ų115.755%0.55164%0.644SS**Hα-helixtrans-62.1-35.3176.8-81.2-13.7000112.6F302 K308F302-D306 PolarHBondContact O-N 2.99Å; D306-K308 VanDerWaalsContact C-N 3.32Å; D306-K308 PolarHBondContact O-N 3.27Å
307K52.9Low47.7Very low154 Ų154116.5 Ų116.567%0.6766%0.664SS**Hα-helixtrans-70.5-24.4176.9-76.3-177.6178178.80114.1L305 S310L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 2.64Å; K307-S310 PolarHBondContact O-OG 3.19Å
308K45.4Very low46.3Very low166 Ų166115.9 Ų115.972%0.72267%0.674SS**Hα-helixtrans-86.9-27178.4-79.1-173.4174.7-173.20112.6N304 L305 D306 S310N304-K308 PolarHBondContact O-N 2.66Å; L305-K308 PolarHBondContact O-N 2.83Å; L305-K308 VanDerWaalsContact O-N 3.13Å; D306-K308 VanDerWaalsContact C-N 3.32Å; D306-K308 PolarHBondContact O-N 3.27Å; K308-S310 VanDerWaalsContact C-N 3.32Å
309A40.5Very low45.6Very low80 Ų80117 Ų11766%0.66168%0.682SS**Hα-helixtrans-74.6-20.1178.600000113.4L305L305-A309 PolarHBondContact O-N 3.1Å
310S45Very low46.2Very low102 Ų102111 Ų11171%0.71368%0.681SS**THydrogen-bonded Turntrans-85.2-0.5178.752.60000115K307 K308K307-S310 PolarHBondContact O-OG 3.19Å; K308-S310 VanDerWaalsContact C-N 3.32Å
311S45Very low47.5Very low88 Ų88111.2 Ų111.262%0.61568%0.684SS**  trans-124.368.1-178.464.10000111.6
312E39.7Very low49Very low195 Ų195108.1 Ų108.191%0.91168%0.68SS**  trans-102.5109.9160.2-76.3-164.316200109.4
313G32.7Very low50.5Low78 Ų78101.7 Ų101.780%0.80465%0.651SS**  trans172.972.9-179.100000109
314G35.1Very low52.3Low76 Ų7698.9 Ų98.978%0.78464%0.64SS**  trans-66.5130.3-171.100000114.2
315T30.4Very low54.3Low129 Ų12995.2 Ų95.279%0.79162%0.62SS**SBendtrans-165.1117138.217.30000107.2
316T33.9Very low56.5Low138 Ų13895 Ų9585%0.84761%0.614SS**  trans39.185.2168.854.30000116G318T316-G318 VanDerWaalsContact C-N 3.29Å; T316-G318 PolarHBondContact O-N 3.48Å
317A37.6Very low58.9Low110 Ų11093.4 Ų93.491%0.90961%0.606SS**  trans-61.29316400000109.2A319A317-A319 PolarHBondContact O-N 3.38Å
318G35.7Very low61.1Low65 Ų6586.5 Ų86.567%0.6758%0.577SS**  trans-56.3132.9169.600000109T316 G320T316-G318 VanDerWaalsContact C-N 3.29Å; T316-G318 PolarHBondContact O-N 3.48Å; G318-G320 PolarHBondContact O-N 3.12Å
319A43.3Very low63.6Low104 Ų10478.6 Ų78.686%0.8654%0.542SS*.  trans-51.1110.4169.100000108.1A317A317-A319 PolarHBondContact O-N 3.38Å
320G69.4Low66.4Low68 Ų6876.3 Ų76.370%0.70152%0.522SS*.  trans-60.9141.6-179.900000110.2G318 D322G318-G320 PolarHBondContact O-N 3.12Å; G320-D322 PolarHBondContact O-N 3.3Å
321L84.1Confident68.9Low87 Ų8772.4 Ų72.446%0.45549%0.492SS..  trans-54.5135.5175.7-71.995.6000110.2C265 S323 K326C265-L321 HydrophobicContact CB-CD2 4.21Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.06Å; L321-K326 HydrophobicContact CB-CD 4.4Å; L321-K326 PolarHBondContact O-NZ 3.04Å
322D90.4Very high71.5Confident93 Ų9369 Ų6950%0.49747%0.467SS..SBendtrans-77.6-13.3179.869.9-12.9000112.9R284 P288 G320R284-D322 IonicContact CZ-OD1 3.53Å; R284-D322 IonicContact CZ-OD2 3.52Å; R284-D322 IonicContact NH1-OD1 3.34Å; R284-D322 PolarHBondContact NH1-OD1 3.34Å; R284-D322 IonicContact NH1-OD2 2.85Å; R284-D322 PolarHBondContact NH1-OD2 3.24Å; R284-D322 IonicContact NH2-OD1 2.8Å; R284-D322 PolarHBondContact NH2-OD1 3.44Å; R284-D322 IonicContact NH2-OD2 3.3Å; R284-D322 PolarHBondContact NH2-OD2 3.06Å; P288-D322 HydrophobicContact CG-CB 4.17Å; G320-D322 PolarHBondContact O-N 3.3Å
323S93.2Very high74.3Confident2 Ų260.9 Ų60.91%0.01443%0.432CS..SBendtrans-74.7154.5177.3520000113.2D286 L321 H325 K326D286-S323 WeakPolarHBondContact OD2-CA 3.42Å; D286-S323 WeakPolarHBondContact OD2-CB 3.2Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.06Å; S323-H325 PolarHBondContact OG-O 3.06Å; S323-K326 WeakPolarHBondContact O-CE 3.43Å; S323-K326 PolarHBondContact O-NZ 3.17Å
324L93.8Very high77.4Confident45 Ų4558.4 Ų58.424%0.23640%0.401CS..SBendtrans-58.1-53173-98.373.7000111.1M1 Y3 D286 W357M1-L324 HydrophobicContact CB-CD2 3.91Å; M1-L324 HydrophobicContact SD-CD1 4.12Å; Y3-L324 HydrophobicContact CD2-CB 4.4Å; D286-L324 WeakPolarHBondContact OD1-CD1 3.5Å; D286-L324 PolarHBondContact OD2-N 2.86Å; L324-W357 HydrophobicContact CB-CH2 4.34Å; L324-W357 HydrophobicContact CD2-CH2 4.11Å; L324-W357 HydrophobicContact CD2-CZ2 4.4Å
325H96Very high80.4Confident0 Ų055.3 Ų55.30%037%0.366CS..SBendtrans-75.1142.6174-72.1-89.2000110.7Y3 C265 S323 V329 T347 D351 G353 S355Y3-H325 AromaticContact CE2-ND1 3.99Å; C265-H325 HydrophobicContact CB-CB 4.38Å; C265-H325 WeakPolarHBondContact O-CB 3.32Å; S323-H325 PolarHBondContact OG-O 3.06Å; H325-V329 HydrophobicContact CB-CG2 4.09Å; H325-T347 PolarHBondContact NE2-OG1 3.01Å; H325-D351 WeakPolarHBondContact CA-OD2 3.38Å; H325-D351 WeakPolarHBondContact CB-OD2 3.27Å; H325-D351 IonicContact CE1-OD1 3.92Å; H325-D351 IonicContact CG-OD2 3.79Å; H325-D351 IonicContact ND1-OD1 3.33Å; H325-D351 PolarHBondContact ND1-OD1 3.39Å; H325-D351 IonicContact ND1-OD2 2.8Å; H325-D351 PolarHBondContact ND1-OD2 3.45Å; H325-G353 PolarHBondContact CE1-O 3.3Å; H325-S355 PolarHBondContact NE2-OG 3.49Å
326K95.8Very high83.6Confident112 Ų11251 Ų5149%0.48734%0.341SS..SBendtrans-104.75.2-177.3-53-53.4-179.5-175.40113.2L321 S323 D351L321-K326 HydrophobicContact CB-CD 4.4Å; L321-K326 PolarHBondContact O-NZ 3.04Å; S323-K326 WeakPolarHBondContact O-CE 3.43Å; S323-K326 PolarHBondContact O-NZ 3.17Å; K326-D351 HydrophobicContact CB-CB 4.32Å; K326-D351 PolarHBondContact N-OD2 3.22Å
327N97.1Very high86.6Confident69 Ų6946.7 Ų46.737%0.36932%0.324SS..SBendtrans-155.4174.6173.1-158.2-17.1000108.8C265 V329 M350 D351C265-N327 PolarHBondContact SG-O 3.42Å; C265-N327 VanDerWaalsContact SG-O 3.35Å; N327-V329 PolarHBondContact O-N 3.32Å; N327-M350 HydrophobicContact CB-CB 4Å; N327-D351 HydrophobicContact CB-CB 3.81Å
328S98.4Very high89.5Confident9 Ų943.2 Ų43.26%0.06330%0.3CS..  trans-52134.4-172.9-53.30000112.3G262 H263 G349 M350G262-S328 WeakPolarHBondContact O-CA 3.4Å; H263-S328 PolarHBondContact ND1-OG 3.13Å; S328-G349 CarbonylContact O-C 3.57Å; S328-G349 VanDerWaalsContact O-CA 3.27Å; S328-G349 WeakPolarHBondContact O-CA 3.4Å; S328-M350 PolarHBondContact O-N 3.48Å
329V98.8Very high92.5Very high0 Ų042.7 Ų42.70%028%0.279CS..EExtended strand (participates in β ladder)trans-81.5121172.3176.40000108.5A261 G262 H325 N327 I332 T347A261-V329 HydrophobicContact CB-CB 3.69Å; A261-V329 HydrophobicContact CB-CG1 3.6Å; A261-V329 HydrophobicContact CB-CG2 4.25Å; G262-V329 WeakPolarHBondContact CA-O 3.44Å; G262-V329 PolarHBondContact O-N 3.48Å; H325-V329 HydrophobicContact CB-CG2 4.09Å; N327-V329 PolarHBondContact O-N 3.32Å; V329-I332 HydrophobicContact CG1-CG1 4.48Å; V329-T347 HydrophobicContact CG1-CG2 4.2Å
330S98.4Very high95Very high33 Ų3340.4 Ų40.423%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-102.1-23.6-172.1580000113.7I11 T348I11-S330 PolarHBondContact O-OG 2.72Å; S330-T348 PolarHBondContact N-O 2.83Å; S330-T348 PolarHBondContact OG-O 2.69Å
331Q98.8Very high96.3Very high20 Ų2045.3 Ų45.39%0.09326%0.262CS..EExtended strand (participates in β ladder)trans-145.8143-178.4-167175.6-11.100111.7H14 R103 T347 T348H14-Q331 VanDerWaalsContact ND1-CD 3.27Å; H14-Q331 PolarHBondContact ND1-OE1 3.1Å; H14-Q331 PolarHBondContact O-NE2 3.19Å; R103-Q331 VanDerWaalsContact NH2-NE2 3.14Å; Q331-T347 WeakPolarHBondContact O-CA 3.42Å; Q331-T348 PolarHBondContact N-O 2.92Å; Q331-T348 PolarHBondContact O-N 3.1Å
332I98.8Very high97Very high15 Ų1541.6 Ų41.68%0.07724%0.243CC..EExtended strand (participates in β ladder)trans-124.2141.7171.4-51.3-173.6000108.6A249 T251 V259 A261 V329 F345 C346 T347A249-I332 HydrophobicContact CB-CB 4.38Å; A249-I332 HydrophobicContact CB-CD1 4.39Å; A249-I332 HydrophobicContact CB-CG1 3.81Å; T251-I332 HydrophobicContact CG2-CG2 3.76Å; V259-I332 HydrophobicContact CG1-CD1 4.29Å; A261-I332 HydrophobicContact CB-CD1 3.73Å; A261-I332 HydrophobicContact CB-CG1 4.4Å; V329-I332 HydrophobicContact CG1-CG1 4.48Å; I332-F345 HydrophobicContact CG2-CD2 4.08Å; I332-C346 CarbonylContact C-O 3.56Å; I332-C346 VanDerWaalsContact CA-O 3.26Å; I332-C346 WeakPolarHBondContact CA-O 3.32Å; I332-T347 HydrophobicContact CD1-CG2 4.4Å; I332-T347 HydrophobicContact CG1-CG2 4.04Å; I332-T347 HydrophobicContact CG2-CG2 4.41Å
333S98.6Very high97.3Very high26 Ų2639.1 Ų39.118%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-141.2142.4171.566.60000112H14 F345 C346H14-S333 PolarHBondContact NE2-OG 2.96Å; S333-F345 CarbonylContact O-C 3.6Å; S333-F345 WeakPolarHBondContact O-CA 3.36Å; S333-C346 PolarHBondContact N-O 2.84Å; S333-C346 PolarHBondContact O-N 2.95Å
334V98.5Very high97.6Very high25 Ų2542.3 Ų42.315%0.15225%0.248CC..EExtended strand (participates in β ladder)trans-74.2131.6171.5177.50000110.1T251 C342T251-V334 HydrophobicContact CG2-CG2 4.09Å; T251-V334 WeakPolarHBondContact OG1-CG2 3.09Å; V334-C342 HydrophobicContact CG1-CB 4.15Å; V334-C342 HydrophobicContact CG2-CB 4.47Å
335L98.1Very high97.8Very high12 Ų1240.2 Ų40.26%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-95.3-45.6177.6-63.8177.1000111.8W16 R20 Q344 C346 I356W16-L335 HydrophobicContact CD2-CD2 3.67Å; W16-L335 VanDerWaalsContact CE2-CD2 3.5Å; W16-L335 HydrophobicContact CE3-CD2 4.36Å; W16-L335 HydrophobicContact CG-CD2 3.77Å; W16-L335 HydrophobicContact CZ2-CD2 4.02Å; R20-L335 HydrophobicContact CG-CB 4.48Å; R20-L335 PolarHBondContact NE-O 2.82Å; L335-Q344 HydrophobicContact CB-CB 4.14Å; L335-Q344 WeakPolarHBondContact CB-O 3.28Å; L335-Q344 HydrophobicContact CD1-CB 4.4Å; L335-Q344 PolarHBondContact N-O 3.2Å; L335-C346 HydrophobicContact CD1-CB 4Å; L335-C346 HydrophobicContact CD2-CB 3.9Å; L335-C346 HydrophobicContact CG-CB 3.93Å; L335-I356 HydrophobicContact CD1-CB 4.48Å; L335-I356 HydrophobicContact CD1-CD1 4.26Å; L335-I356 HydrophobicContact CD1-CG1 4.11Å; L335-I356 HydrophobicContact CD1-CG2 3.78Å
336S97.8Very high97.9Very high38 Ų3840.2 Ų40.227%0.26624%0.237SC..EExtended strand (participates in β ladder)trans-142.3149.5-175.557.10000112G338 C342 S343 Q344S336-G338 VanDerWaalsContact C-N 3.29Å; S336-G338 PolarHBondContact O-N 3.43Å; S336-C342 WeakPolarHBondContact O-CA 3.4Å; S336-S343 WeakPolarHBondContact CB-OG 3.47Å; S336-S343 PolarHBondContact O-N 2.88Å; S336-S343 PolarHBondContact O-OG 3.47Å; S336-S343 PolarHBondContact OG-OG 3.37Å; S336-Q344 PolarHBondContact N-O 3.42Å; S336-Q344 WeakPolarHBondContact OG-CB 3.22Å; S336-Q344 PolarHBondContact OG-N 2.88Å
337G96.9Very high98.1Very high47 Ų4734.9 Ų34.949%0.48521%0.214SC..SBendtrans83.5-5.918000000115.7K341G337-K341 CarbonylContact C-O 3.54Å; G337-K341 VanDerWaalsContact CA-O 3.25Å; G337-K341 WeakPolarHBondContact CA-O 3.5Å; G337-K341 CarbonylContact O-C 3.54Å; G337-K341 PolarHBondContact O-N 2.54Å
338G97.4Very high98.1Very high38 Ų3831.6 Ų31.639%0.39220%0.196SC..THydrogen-bonded Turntrans63.3-173-179.100000112.8S336 A340 C342S336-G338 VanDerWaalsContact C-N 3.29Å; S336-G338 PolarHBondContact O-N 3.43Å; G338-A340 PolarHBondContact O-N 3.4Å; G338-C342 VanDerWaalsContact O-CA 3.26Å; G338-C342 WeakPolarHBondContact O-CA 3.16Å; G338-C342 WeakPolarHBondContact O-CB 3.12Å; G338-C342 PolarHBondContact O-N 3Å; G338-C342 VanDerWaalsContact O-N 3.13Å
339K98.1Very high98.1Very high53 Ų5331.1 Ų31.123%0.2319%0.193CC..THydrogen-bonded Turntrans-73.1-15-179.4-59.3-179.1-167.8171.30113.1D149 F210 A212 F252 I253 T254D149-K339 IonicContact OD1-NZ 3.74Å; D149-K339 PolarHBondContact OD1-NZ 3.45Å; D149-K339 IonicContact OD2-NZ 3.73Å; D149-K339 PolarHBondContact OD2-NZ 3.13Å; F210-K339 WeakPolarHBondContact O-CD 3.39Å; F210-K339 PolarHBondContact O-NZ 3.47Å; A212-K339 HydrophobicContact CB-CB 3.98Å; F252-K339 HydrophobicContact CB-CB 4.15Å; I253-K339 CarbonylContact C-O 3.59Å; T254-K339 CarbonylContact C-O 3.56Å; T254-K339 WeakPolarHBondContact CA-O 3.41Å; T254-K339 PolarHBondContact N-O 2.81Å
340A97.1Very high98Very high57 Ų5734.3 Ų34.347%0.47121%0.209SC..THydrogen-bonded Turntrans-82.1-35.4-177.500000112.8A212 I253 T254 G338A212-A340 HydrophobicContact CB-CB 3.55Å; I253-A340 CarbonylContact O-C 3.59Å; T254-A340 WeakPolarHBondContact CA-O 3.33Å; G338-A340 PolarHBondContact O-N 3.4Å
341K97.3Very high97.9Very high170 Ų17033.6 Ų33.674%0.73920%0.202SC*.BIsolated β-bridgetrans-153.558.9-177.2-165.1176.2-177.4172.90110.4I253 G337 S343I253-K341 WeakPolarHBondContact O-CA 3.35Å; I253-K341 PolarHBondContact O-N 3.48Å; G337-K341 CarbonylContact C-O 3.54Å; G337-K341 VanDerWaalsContact CA-O 3.25Å; G337-K341 WeakPolarHBondContact CA-O 3.5Å; G337-K341 CarbonylContact O-C 3.54Å; G337-K341 PolarHBondContact O-N 2.54Å; K341-S343 PolarHBondContact O-N 3.18Å
342C97.9Very high97.8Very high9 Ų932.6 Ų32.66%0.06120%0.198CC..  trans-57.5123.6-178.5171.60000110.5I253 V334 S336 G338 Q344 V359I253-C342 HydrophobicContact CB-CB 3.68Å; I253-C342 HydrophobicContact CG2-CB 3.76Å; I253-C342 WeakPolarHBondContact O-CB 3.27Å; I253-C342 PolarHBondContact O-N 3.14Å; V334-C342 HydrophobicContact CG1-CB 4.15Å; V334-C342 HydrophobicContact CG2-CB 4.47Å; S336-C342 WeakPolarHBondContact O-CA 3.4Å; G338-C342 VanDerWaalsContact O-CA 3.26Å; G338-C342 WeakPolarHBondContact O-CA 3.16Å; G338-C342 WeakPolarHBondContact O-CB 3.12Å; G338-C342 PolarHBondContact O-N 3Å; G338-C342 VanDerWaalsContact O-N 3.13Å; C342-Q344 VanDerWaalsContact SG-C 3.59Å; C342-Q344 PolarHBondContact SG-O 2.88Å; C342-Q344 VanDerWaalsContact SG-O 3.33Å; C342-V359 WeakPolarHBondContact O-CG2 3.46Å
343S97.2Very high97.7Very high41 Ų4131.9 Ų31.929%0.28719%0.194SC..SBendtrans-97.1-31.8172.842.40000112.2S336 K341 V359S336-S343 WeakPolarHBondContact CB-OG 3.47Å; S336-S343 PolarHBondContact O-N 2.88Å; S336-S343 PolarHBondContact O-OG 3.47Å; S336-S343 PolarHBondContact OG-OG 3.37Å; K341-S343 PolarHBondContact O-N 3.18Å; S343-V359 WeakPolarHBondContact O-CB 3.26Å; S343-V359 WeakPolarHBondContact O-CG2 3.45Å; S343-V359 PolarHBondContact O-N 3.36Å
344Q98.1Very high97.6Very high69 Ų6930.8 Ų30.832%0.32219%0.186SC..EExtended strand (participates in β ladder)trans-142.6143177.1-59.9-177.5-41.700111.5L335 S336 C342 W357 D358L335-Q344 HydrophobicContact CB-CB 4.14Å; L335-Q344 WeakPolarHBondContact CB-O 3.28Å; L335-Q344 HydrophobicContact CD1-CB 4.4Å; L335-Q344 PolarHBondContact N-O 3.2Å; S336-Q344 PolarHBondContact N-O 3.42Å; S336-Q344 WeakPolarHBondContact OG-CB 3.22Å; S336-Q344 PolarHBondContact OG-N 2.88Å; C342-Q344 VanDerWaalsContact SG-C 3.59Å; C342-Q344 PolarHBondContact SG-O 2.88Å; C342-Q344 VanDerWaalsContact SG-O 3.33Å; Q344-W357 WeakPolarHBondContact CA-O 3.37Å; Q344-W357 WeakPolarHBondContact CB-O 3.22Å; Q344-D358 HydrophobicContact CG-CB 4.45Å; Q344-D358 PolarHBondContact NE2-OD2 2.89Å
345F98.6Very high97.6Very high1 Ų129.6 Ų29.60%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-133.9160.6173.965.5-89.1000111V259 P267 L285 I332 S333 T347 W357 V359 L362V259-F345 HydrophobicContact CG1-CD2 4.37Å; V259-F345 HydrophobicContact CG1-CE1 4.45Å; V259-F345 HydrophobicContact CG1-CE2 3.81Å; V259-F345 HydrophobicContact CG1-CZ 3.86Å; V259-F345 HydrophobicContact CG2-CE1 4.29Å; V259-F345 HydrophobicContact CG2-CZ 4.43Å; P267-F345 HydrophobicContact CB-CE2 4.17Å; P267-F345 HydrophobicContact CB-CZ 4.38Å; P267-F345 HydrophobicContact CG-CE2 4.44Å; L285-F345 HydrophobicContact CD1-CZ 4.14Å; I332-F345 HydrophobicContact CG2-CD2 4.08Å; S333-F345 CarbonylContact O-C 3.6Å; S333-F345 WeakPolarHBondContact O-CA 3.36Å; F345-T347 HydrophobicContact CD2-CG2 4.17Å; F345-T347 HydrophobicContact CE2-CG2 4.09Å; F345-W357 HydrophobicContact CD1-CB 3.84Å; F345-W357 HydrophobicContact CD2-CB 3.86Å; F345-W357 AromaticContact CD2-CD1 3.54Å; F345-W357 AromaticContact CD2-CG 3.87Å; F345-W357 HydrophobicContact CD2-CG 3.87Å; F345-W357 HydrophobicContact CE1-CB 3.45Å; F345-W357 VanDerWaalsContact CE1-CB 3.45Å; F345-W357 HydrophobicContact CE1-CG 4.18Å; F345-W357 HydrophobicContact CE2-CB 3.47Å; F345-W357 VanDerWaalsContact CE2-CB 3.47Å; F345-W357 AromaticContact CE2-CD1 3.24Å; F345-W357 HydrophobicContact CE2-CD2 4.02Å; F345-W357 AromaticContact CE2-CG 3.28Å; F345-W357 HydrophobicContact CE2-CG 3.28Å; F345-W357 AromaticContact CE2-NE1 3.93Å; F345-W357 HydrophobicContact CG-CB 4.04Å; F345-W357 HydrophobicContact CZ-CB 3.24Å; F345-W357 AromaticContact CZ-CD1 3.93Å; F345-W357 HydrophobicContact CZ-CD2 4.09Å; F345-W357 AromaticContact CZ-CG 3.46Å; F345-W357 HydrophobicContact CZ-CG 3.46Å; F345-W357 VanDerWaalsContact CZ-CG 3.46Å; F345-W357 PolarHBondContact N-O 3.05Å; F345-W357 VanDerWaalsContact N-O 3.07Å; F345-W357 PolarHBondContact O-N 3.13Å; F345-V359 HydrophobicContact CD1-CG2 4.08Å; F345-V359 HydrophobicContact CE1-CG2 4.18Å; F345-L362 HydrophobicContact CE1-CD1 4.06Å; F345-L362 HydrophobicContact CZ-CD1 4.21Å
346C98.6Very high97.6Very high0 Ų030.5 Ų30.50%018%0.183CC..EExtended strand (participates in β ladder)trans-117.5142.3-178.3178.40000109.5I332 S333 L335 S355I332-C346 CarbonylContact C-O 3.56Å; I332-C346 VanDerWaalsContact CA-O 3.26Å; I332-C346 WeakPolarHBondContact CA-O 3.32Å; S333-C346 PolarHBondContact N-O 2.84Å; S333-C346 PolarHBondContact O-N 2.95Å; L335-C346 HydrophobicContact CD1-CB 4Å; L335-C346 HydrophobicContact CD2-CB 3.9Å; L335-C346 HydrophobicContact CG-CB 3.93Å; C346-S355 CarbonylContact C-O 3.56Å; C346-S355 VanDerWaalsContact CA-O 3.3Å; C346-S355 WeakPolarHBondContact CA-O 3.29Å
347T98.8Very high97.6Very high0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-124140.4168.659.30000110H325 V329 Q331 I332 F345 M354 S355 W357H325-T347 PolarHBondContact NE2-OG1 3.01Å; V329-T347 HydrophobicContact CG1-CG2 4.2Å; Q331-T347 WeakPolarHBondContact O-CA 3.42Å; I332-T347 HydrophobicContact CD1-CG2 4.4Å; I332-T347 HydrophobicContact CG1-CG2 4.04Å; I332-T347 HydrophobicContact CG2-CG2 4.41Å; F345-T347 HydrophobicContact CD2-CG2 4.17Å; F345-T347 HydrophobicContact CE2-CG2 4.09Å; T347-M354 CarbonylContact O-C 3.53Å; T347-M354 WeakPolarHBondContact O-CA 3.4Å; T347-S355 PolarHBondContact N-O 2.94Å; T347-S355 PolarHBondContact O-N 2.94Å; T347-S355 WeakPolarHBondContact OG1-CB 2.97Å; T347-W357 PolarHBondContact OG1-NE1 2.74Å
348T98.8Very high97.5Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-125.714717058.60000110.2I11 H14 S330 Q331 G353 M354I11-T348 HydrophobicContact CD1-CG2 4.28Å; I11-T348 HydrophobicContact CG2-CG2 4.18Å; H14-T348 HydrophobicContact CB-CG2 4.12Å; H14-T348 PolarHBondContact ND1-OG1 3.16Å; H14-T348 VanDerWaalsContact ND1-OG1 3.07Å; S330-T348 PolarHBondContact N-O 2.83Å; S330-T348 PolarHBondContact OG-O 2.69Å; Q331-T348 PolarHBondContact N-O 2.92Å; Q331-T348 PolarHBondContact O-N 3.1Å; T348-G353 VanDerWaalsContact CA-O 3.31Å; T348-G353 WeakPolarHBondContact CA-O 3.21Å; T348-M354 HydrophobicContact CG2-CB 4.09Å; T348-M354 HydrophobicContact CG2-CG 3.96Å
349G97.4Very high97.3Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-132.3174-170.900000115.3I11 S328 D351 G352 G353I11-G349 PolarHBondContact N-O 3.19Å; S328-G349 CarbonylContact O-C 3.57Å; S328-G349 VanDerWaalsContact O-CA 3.27Å; S328-G349 WeakPolarHBondContact O-CA 3.4Å; G349-D351 WeakPolarHBondContact CA-OD1 3.43Å; G349-D351 PolarHBondContact O-N 2.86Å; G349-G352 PolarHBondContact O-N 3.43Å; G349-G353 PolarHBondContact N-O 2.85Å; G349-G353 VanDerWaalsContact N-O 3.11Å
350M97.5Very high97Very high67 Ų6731.6 Ų31.633%0.3316%0.162SC..THydrogen-bonded Turntrans-73.10.9174.4-62.1-174.8-17000113.3P10 L248 N327 S328P10-M350 HydrophobicContact CB-CB 4.31Å; P10-M350 HydrophobicContact CG-CB 4.2Å; L248-M350 HydrophobicContact CD1-CE 4.13Å; N327-M350 HydrophobicContact CB-CB 4Å; S328-M350 PolarHBondContact O-N 3.48Å
351D96.3Very high96.7Very high17 Ų1731.8 Ų31.89%0.09116%0.16CC..THydrogen-bonded Turntrans-96.37.9175.661.2-20.1000113.2Y3 H325 K326 N327 G349 G353Y3-D351 PolarHBondContact OH-OD2 3.42Å; H325-D351 WeakPolarHBondContact CA-OD2 3.38Å; H325-D351 WeakPolarHBondContact CB-OD2 3.27Å; H325-D351 IonicContact CE1-OD1 3.92Å; H325-D351 IonicContact CG-OD2 3.79Å; H325-D351 IonicContact ND1-OD1 3.33Å; H325-D351 PolarHBondContact ND1-OD1 3.39Å; H325-D351 IonicContact ND1-OD2 2.8Å; H325-D351 PolarHBondContact ND1-OD2 3.45Å; K326-D351 HydrophobicContact CB-CB 4.32Å; K326-D351 PolarHBondContact N-OD2 3.22Å; N327-D351 HydrophobicContact CB-CB 3.81Å; G349-D351 WeakPolarHBondContact CA-OD1 3.43Å; G349-D351 PolarHBondContact O-N 2.86Å; D351-G353 PolarHBondContact O-N 3.25Å; D351-G353 PolarHBondContact OD1-N 3.33Å
352G95.4Very high96.3Very high0 Ų024 Ų240%013%0.126CC..SBendtrans70.110.4-175.600000113.9F6 L7 E9 G349F6-G352 PolarHBondContact N-O 3.26Å; L7-G352 WeakPolarHBondContact O-CA 3.03Å; E9-G352 WeakPolarHBondContact O-CA 3.37Å; E9-G352 PolarHBondContact O-N 3.12Å; E9-G352 VanDerWaalsContact O-N 3.07Å; G349-G352 PolarHBondContact O-N 3.43Å
353G96.9Very high95.8Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-92.6147.8-175.900000113.4Y3 H325 T348 G349 D351Y3-G353 VanDerWaalsContact OH-CA 3.26Å; Y3-G353 WeakPolarHBondContact OH-CA 3.42Å; H325-G353 PolarHBondContact CE1-O 3.3Å; T348-G353 VanDerWaalsContact CA-O 3.31Å; T348-G353 WeakPolarHBondContact CA-O 3.21Å; G349-G353 PolarHBondContact N-O 2.85Å; G349-G353 VanDerWaalsContact N-O 3.11Å; D351-G353 PolarHBondContact O-N 3.25Å; D351-G353 PolarHBondContact OD1-N 3.33Å
354M98Very high95.2Very high3 Ų330.2 Ų30.22%0.01516%0.161CC..EExtended strand (participates in β ladder)trans-124.9131.3166.5-179-84.7-71.100109.2Y3 H4 F6 W16 I23 W42 T347 T348 I356Y3-M354 CarbonylContact C-O 3.6Å; Y3-M354 WeakPolarHBondContact CA-O 3.43Å; H4-M354 HydrophobicContact CB-CE 4.43Å; H4-M354 PolarHBondContact N-O 3.34Å; H4-M354 PolarHBondContact O-N 2.8Å; F6-M354 HydrophobicContact CD2-CB 4.03Å; F6-M354 HydrophobicContact CE2-CB 3.69Å; F6-M354 HydrophobicContact CE2-CE 3.91Å; F6-M354 HydrophobicContact CE2-CG 4.27Å; F6-M354 HydrophobicContact CZ-CE 4.17Å; W16-M354 HydrophobicContact CH2-CE 4.41Å; W16-M354 HydrophobicContact CZ2-CE 4.34Å; W16-M354 HydrophobicContact CZ2-SD 4.3Å; I23-M354 HydrophobicContact CD1-CG 4.12Å; W42-M354 HydrophobicContact CH2-CE 4.49Å; W42-M354 HydrophobicContact CZ2-CE 3.66Å; T347-M354 CarbonylContact O-C 3.53Å; T347-M354 WeakPolarHBondContact O-CA 3.4Å; T348-M354 HydrophobicContact CG2-CB 4.09Å; T348-M354 HydrophobicContact CG2-CG 3.96Å; M354-I356 HydrophobicContact CE-CD1 4.42Å; M354-I356 HydrophobicContact CE-CG1 4.41Å; M354-I356 HydrophobicContact SD-CD1 4.22Å; M354-I356 HydrophobicContact SD-CG1 3.6Å; M354-I356 VanDerWaalsContact SD-CG1 3.6Å
355S97.9Very high94.5Very high0 Ų030.4 Ų30.40%017%0.174CC..EExtended strand (participates in β ladder)trans-121134.7175.4-55.70000111.7A2 Y3 H325 C346 T347 W357A2-S355 CarbonylContact O-C 3.57Å; A2-S355 VanDerWaalsContact O-CA 3.31Å; A2-S355 WeakPolarHBondContact O-CA 3.23Å; Y3-S355 VanDerWaalsContact CD2-OG 3.32Å; Y3-S355 WeakPolarHBondContact CD2-OG 3.38Å; H325-S355 PolarHBondContact NE2-OG 3.49Å; C346-S355 CarbonylContact C-O 3.56Å; C346-S355 VanDerWaalsContact CA-O 3.3Å; C346-S355 WeakPolarHBondContact CA-O 3.29Å; T347-S355 PolarHBondContact N-O 2.94Å; T347-S355 PolarHBondContact O-N 2.94Å; T347-S355 WeakPolarHBondContact OG1-CB 2.97Å; S355-W357 VanDerWaalsContact CB-NE1 3.35Å
356I97.4Very high93.7Very high31 Ų3132 Ų3216%0.15918%0.182CC..EExtended strand (participates in β ladder)trans-102128.3169.1-58.2-178.5000109.5M1 A2 W16 L335 M354M1-I356 CarbonylContact C-O 3.55Å; M1-I356 WeakPolarHBondContact CA-O 3.41Å; A2-I356 PolarHBondContact N-O 3.19Å; A2-I356 PolarHBondContact O-N 3.38Å; W16-I356 HydrophobicContact CH2-CD1 4.23Å; L335-I356 HydrophobicContact CD1-CB 4.48Å; L335-I356 HydrophobicContact CD1-CD1 4.26Å; L335-I356 HydrophobicContact CD1-CG1 4.11Å; L335-I356 HydrophobicContact CD1-CG2 3.78Å; M354-I356 HydrophobicContact CE-CD1 4.42Å; M354-I356 HydrophobicContact CE-CG1 4.41Å; M354-I356 HydrophobicContact SD-CD1 4.22Å; M354-I356 HydrophobicContact SD-CG1 3.6Å; M354-I356 VanDerWaalsContact SD-CG1 3.6Å
357W97.3Very high92.3Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-114.6131.8-177.3-53.485.8000109.4M1 P267 D286 L324 Q344 F345 T347 S355 L362M1-W357 HydrophobicContact CB-CE3 4.3Å; M1-W357 HydrophobicContact CB-CZ3 4.33Å; M1-W357 HydrophobicContact CG-CE3 3.68Å; M1-W357 HydrophobicContact CG-CZ3 3.72Å; M1-W357 HydrophobicContact SD-CE3 4Å; M1-W357 HydrophobicContact SD-CH2 4.23Å; M1-W357 HydrophobicContact SD-CZ3 3.41Å; M1-W357 WeakPolarHBondContact SD-CZ3 3.15Å; P267-W357 HydrophobicContact CG-CD2 3.97Å; P267-W357 HydrophobicContact CG-CE3 3.95Å; P267-W357 HydrophobicContact CG-CH2 3.64Å; P267-W357 HydrophobicContact CG-CZ2 3.62Å; P267-W357 HydrophobicContact CG-CZ3 3.78Å; D286-W357 HydrophobicContact CB-CH2 3.77Å; D286-W357 HydrophobicContact CB-CZ3 3.96Å; L324-W357 HydrophobicContact CB-CH2 4.34Å; L324-W357 HydrophobicContact CD2-CH2 4.11Å; L324-W357 HydrophobicContact CD2-CZ2 4.4Å; Q344-W357 WeakPolarHBondContact CA-O 3.37Å; Q344-W357 WeakPolarHBondContact CB-O 3.22Å; F345-W357 HydrophobicContact CD1-CB 3.84Å; F345-W357 HydrophobicContact CD2-CB 3.86Å; F345-W357 AromaticContact CD2-CD1 3.54Å; F345-W357 AromaticContact CD2-CG 3.87Å; F345-W357 HydrophobicContact CD2-CG 3.87Å; F345-W357 HydrophobicContact CE1-CB 3.45Å; F345-W357 VanDerWaalsContact CE1-CB 3.45Å; F345-W357 HydrophobicContact CE1-CG 4.18Å; F345-W357 HydrophobicContact CE2-CB 3.47Å; F345-W357 VanDerWaalsContact CE2-CB 3.47Å; F345-W357 AromaticContact CE2-CD1 3.24Å; F345-W357 HydrophobicContact CE2-CD2 4.02Å; F345-W357 AromaticContact CE2-CG 3.28Å; F345-W357 HydrophobicContact CE2-CG 3.28Å; F345-W357 AromaticContact CE2-NE1 3.93Å; F345-W357 HydrophobicContact CG-CB 4.04Å; F345-W357 HydrophobicContact CZ-CB 3.24Å; F345-W357 AromaticContact CZ-CD1 3.93Å; F345-W357 HydrophobicContact CZ-CD2 4.09Å; F345-W357 AromaticContact CZ-CG 3.46Å; F345-W357 HydrophobicContact CZ-CG 3.46Å; F345-W357 VanDerWaalsContact CZ-CG 3.46Å; F345-W357 PolarHBondContact N-O 3.05Å; F345-W357 VanDerWaalsContact N-O 3.07Å; F345-W357 PolarHBondContact O-N 3.13Å; T347-W357 PolarHBondContact OG1-NE1 2.74Å; S355-W357 VanDerWaalsContact CB-NE1 3.35Å; W357-L362 HydrophobicContact CB-CD1 4.41Å; W357-L362 HydrophobicContact CE3-CD2 4.38Å
358D96Very high91.3Very high39 Ų3948.7 Ų48.721%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-109.9116.9178.6-179.7-94.2000108.8Q344 K360 S361 L362Q344-D358 HydrophobicContact CG-CB 4.45Å; Q344-D358 PolarHBondContact NE2-OD2 2.89Å; D358-K360 PolarHBondContact O-N 3.27Å; D358-S361 WeakPolarHBondContact O-CB 3.24Å; D358-S361 PolarHBondContact O-N 2.8Å; D358-S361 VanDerWaalsContact OD1-CB 3.31Å; D358-S361 WeakPolarHBondContact OD1-CB 3.43Å; D358-S361 PolarHBondContact OD1-N 3.09Å; D358-S361 PolarHBondContact OD1-OG 3.44Å; D358-L362 WeakPolarHBondContact O-CG 3.48Å; D358-L362 PolarHBondContact O-N 2.92Å
359V93.7Very high90.2Very high10 Ų1049.8 Ų49.86%0.06127%0.268CS..Hα-helixtrans-65-42-169.8176.30000111.1C342 S343 F345 S361 L362 E363 I371C342-V359 WeakPolarHBondContact O-CG2 3.46Å; S343-V359 WeakPolarHBondContact O-CB 3.26Å; S343-V359 WeakPolarHBondContact O-CG2 3.45Å; S343-V359 PolarHBondContact O-N 3.36Å; F345-V359 HydrophobicContact CD1-CG2 4.08Å; F345-V359 HydrophobicContact CE1-CG2 4.18Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.37Å; V359-L362 WeakPolarHBondContact O-CB 3.42Å; V359-L362 PolarHBondContact O-N 3.38Å; V359-L362 VanDerWaalsContact O-N 3.08Å; V359-E363 HydrophobicContact CG1-CG 4.48Å; V359-E363 WeakPolarHBondContact O-CG 3.42Å; V359-E363 PolarHBondContact O-N 2.65Å; V359-I371 HydrophobicContact CG1-CD1 3.3Å
360K90.8Very high89.1Confident149 Ų14957 Ų5765%0.64830%0.3SS*.Hα-helixtrans-61.7-40.3176.6-69.6-175.5177.4-178.60112.4D358 L362 E363 S364D358-K360 PolarHBondContact O-N 3.27Å; K360-L362 VanDerWaalsContact C-N 3.29Å; K360-L362 PolarHBondContact O-N 3.29Å; K360-E363 PolarHBondContact O-N 3.12Å; K360-S364 WeakPolarHBondContact O-CB 3.36Å; K360-S364 PolarHBondContact O-N 3.27Å; K360-S364 PolarHBondContact O-OG 3.38Å
361S89.9Confident88.1Confident62 Ų6255.7 Ų55.743%0.43429%0.293SS..Hα-helixtrans-64.4-35.7175.4-590000111.9D358 V359 A365D358-S361 WeakPolarHBondContact O-CB 3.24Å; D358-S361 PolarHBondContact O-N 2.8Å; D358-S361 VanDerWaalsContact OD1-CB 3.31Å; D358-S361 WeakPolarHBondContact OD1-CB 3.43Å; D358-S361 PolarHBondContact OD1-N 3.09Å; D358-S361 PolarHBondContact OD1-OG 3.44Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.37Å; S361-A365 WeakPolarHBondContact O-CB 3.36Å; S361-A365 PolarHBondContact O-N 2.79Å; S361-A365 VanDerWaalsContact O-N 3.12Å
362L89.5Confident86.7Confident5 Ų562 Ų623%0.02632%0.32CS..Hα-helixtrans-69-47.6175.7-67.1172.5000111.5M1 L285 F345 W357 D358 V359 K360 S364 A365 L366 L369M1-L362 HydrophobicContact CE-CD2 3.99Å; M1-L362 HydrophobicContact CG-CD2 4.38Å; L285-L362 HydrophobicContact CB-CD1 4.24Å; L285-L362 HydrophobicContact CB-CD2 4.44Å; L285-L362 HydrophobicContact CD1-CD1 4.3Å; L285-L362 HydrophobicContact CD2-CD1 4.41Å; L285-L362 VanDerWaalsContact O-CD2 3.28Å; L285-L362 WeakPolarHBondContact O-CD2 3.08Å; F345-L362 HydrophobicContact CE1-CD1 4.06Å; F345-L362 HydrophobicContact CZ-CD1 4.21Å; W357-L362 HydrophobicContact CB-CD1 4.41Å; W357-L362 HydrophobicContact CE3-CD2 4.38Å; D358-L362 WeakPolarHBondContact O-CG 3.48Å; D358-L362 PolarHBondContact O-N 2.92Å; V359-L362 WeakPolarHBondContact O-CB 3.42Å; V359-L362 PolarHBondContact O-N 3.38Å; V359-L362 VanDerWaalsContact O-N 3.08Å; K360-L362 VanDerWaalsContact C-N 3.29Å; K360-L362 PolarHBondContact O-N 3.29Å; L362-S364 VanDerWaalsContact C-N 3.25Å; L362-S364 PolarHBondContact O-N 2.64Å; L362-A365 PolarHBondContact O-N 3.2Å; L362-A365 VanDerWaalsContact O-N 3.11Å; L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 PolarHBondContact O-N 3.43Å; L362-L369 HydrophobicContact CB-CD2 4.32Å
363E87.5Confident86.2Confident82 Ų8265.2 Ų65.238%0.38334%0.336SS..Hα-helixtrans-57.1-40.1174.5-69.5175.1142.100111.7V359 K360 A365 L366 L369 I371V359-E363 HydrophobicContact CG1-CG 4.48Å; V359-E363 WeakPolarHBondContact O-CG 3.42Å; V359-E363 PolarHBondContact O-N 2.65Å; K360-E363 PolarHBondContact O-N 3.12Å; E363-A365 VanDerWaalsContact C-N 3.35Å; E363-A365 PolarHBondContact O-N 3.17Å; E363-L366 CarbonylContact O-C 3.55Å; E363-L369 HydrophobicContact CG-CD2 4.25Å; E363-I371 HydrophobicContact CG-CD1 3.91Å
364S85.3Confident85.7Confident100 Ų10068.6 Ų68.670%0.69935%0.354SS*.Hα-helixtrans-68.7-33178.2-58.70000112.9K360 L362K360-S364 WeakPolarHBondContact O-CB 3.36Å; K360-S364 PolarHBondContact O-N 3.27Å; K360-S364 PolarHBondContact O-OG 3.38Å; L362-S364 VanDerWaalsContact C-N 3.25Å; L362-S364 PolarHBondContact O-N 2.64Å
365A82.1Confident85Confident72 Ų7272.2 Ų72.260%0.59537%0.373SS*.Hα-helixtrans-81.8-28.2-179.800000112.8S361 L362 E363S361-A365 WeakPolarHBondContact O-CB 3.36Å; S361-A365 PolarHBondContact O-N 2.79Å; S361-A365 VanDerWaalsContact O-N 3.12Å; L362-A365 PolarHBondContact O-N 3.2Å; L362-A365 VanDerWaalsContact O-N 3.11Å; E363-A365 VanDerWaalsContact C-N 3.35Å; E363-A365 PolarHBondContact O-N 3.17Å
366L82.4Confident84.2Confident34 Ų3476.5 Ų76.518%0.17840%0.395CS..  trans-11786.9-172.6-60.2165.3000109L285 V287 L362 E363 D368 L369L285-L366 HydrophobicContact CD2-CD1 4.16Å; V287-L366 HydrophobicContact CB-CD2 4.13Å; V287-L366 HydrophobicContact CG2-CD2 3.52Å; L362-L366 WeakPolarHBondContact O-CB 3.39Å; L362-L366 PolarHBondContact O-N 3.43Å; E363-L366 CarbonylContact O-C 3.55Å; L366-D368 PolarHBondContact O-N 2.93Å; L366-L369 HydrophobicContact CB-CB 3.68Å; L366-L369 HydrophobicContact CB-CD2 4.46Å; L366-L369 HydrophobicContact CD1-CD1 4.34Å; L366-L369 HydrophobicContact CD1-CD2 4.16Å; L366-L369 WeakPolarHBondContact O-CB 3.3Å; L366-L369 PolarHBondContact O-N 3.12Å
367K70.3Confident83.4Confident198 Ų19879.3 Ų79.386%0.86141%0.409SS*.THydrogen-bonded Turntrans-57.1-25.3-174.5-68.1-176.2178.3179.50114.3
368D76.3Confident82.5Confident154 Ų15484.6 Ų84.682%0.82444%0.437SS*.THydrogen-bonded Turntrans-95-0.1179.6-58.2-44.1000113.5L366 K370L366-D368 PolarHBondContact O-N 2.93Å; D368-K370 PolarHBondContact O-N 3.43Å
369L77.3Confident81.5Confident22 Ų2287.9 Ų87.912%0.11545%0.453CS..  trans-72.9114.4179.1-166.575.9000110.2L269 L285 L362 E363 L366 I371L269-L369 HydrophobicContact CB-CD1 4.32Å; L269-L369 HydrophobicContact CD2-CD1 3.44Å; L269-L369 VanDerWaalsContact CD2-CD1 3.44Å; L269-L369 HydrophobicContact CD2-CG 3.95Å; L269-L369 HydrophobicContact CG-CD1 4.5Å; L285-L369 HydrophobicContact CD2-CD1 3.63Å; L285-L369 HydrophobicContact CD2-CD2 3.84Å; L285-L369 HydrophobicContact CD2-CG 4.41Å; L362-L369 HydrophobicContact CB-CD2 4.32Å; E363-L369 HydrophobicContact CG-CD2 4.25Å; L366-L369 HydrophobicContact CB-CB 3.68Å; L366-L369 HydrophobicContact CB-CD2 4.46Å; L366-L369 HydrophobicContact CD1-CD1 4.34Å; L366-L369 HydrophobicContact CD1-CD2 4.16Å; L366-L369 WeakPolarHBondContact O-CB 3.3Å; L366-L369 PolarHBondContact O-N 3.12Å; L369-I371 HydrophobicContact CD2-CD1 4.16Å; L369-I371 HydrophobicContact CD2-CG1 4.27Å; L369-I371 HydrophobicContact CG-CG1 4.37Å
370K72.6Confident80.6Confident153 Ų15393.8 Ų93.867%0.66548%0.483SS*.  trans-107.595177-65.5179.8-176175.60109.8T271 D368T271-K370 WeakPolarHBondContact CG2-O 2.9Å; D368-K370 PolarHBondContact O-N 3.43Å
371I77.9Confident79.7Confident39 Ų3989.3 Ų89.320%0.247%0.469CS..  trans-82.7115165.1-59.2178.4000106.4I253 T254 L269 V359 E363 L369I253-I371 HydrophobicContact CD1-CD1 4.04Å; I253-I371 HydrophobicContact CD1-CG1 4.4Å; I253-I371 HydrophobicContact CD1-CG2 4.11Å; T254-I371 HydrophobicContact CG2-CG2 3.7Å; L269-I371 HydrophobicContact CD1-CG1 4.46Å; L269-I371 HydrophobicContact CD2-CG1 4.1Å; V359-I371 HydrophobicContact CG1-CD1 3.3Å; E363-I371 HydrophobicContact CG-CD1 3.91Å; L369-I371 HydrophobicContact CD2-CD1 4.16Å; L369-I371 HydrophobicContact CD2-CG1 4.27Å; L369-I371 HydrophobicContact CG-CG1 4.37Å
372K65.3Low78.8Confident150 Ų15091.7 Ų91.765%0.65247%0.473SS*.  trans-100.70-179.4-67.1-171-179.3176.50111.9T254 S257T254-K372 WeakPolarHBondContact CB-O 3.39Å; T254-K372 PolarHBondContact OG1-O 3.23Å; S257-K372 PolarHBondContact OG-N 3.44Å; S257-K372 PolarHBondContact OG-O 2.82Å

Retrieved 372 of 372 residues in 139 ms (Link to these results)

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