A0A060VCZ1_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCZ1, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 339 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
1S94.3Very high98.2Very high93 Ų9336 Ų3665%0.6520%0.197SC*.  0165.2035.50000107.9V102S1-V102 WeakPolarHBondContact CB-O 3.32Å
2H97.7Very high98.1Very high44 Ų4434.4 Ų34.420%0.20419%0.191CC..EExtended strand (participates in β ladder)trans-134.3158.9-170.8-62.1-70.5000112.7D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.76Å; H2-D28 IonicContact CG-OD2 3Å; H2-D28 IonicContact ND1-OD2 2.74Å; H2-D28 PolarHBondContact ND1-OD2 3.36Å; H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 VanDerWaalsContact N-O 3.13Å; H2-V102 PolarHBondContact O-N 3.44Å; H2-L167 HydrophobicContact CB-CD1 4.35Å; H2-L171 HydrophobicContact CB-CD1 3.63Å; H2-L171 HydrophobicContact CB-CD2 3.93Å; H2-L171 HydrophobicContact CB-CG 4.36Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å
3S98.3Very high98Very high20 Ų2037.6 Ų37.614%0.1420%0.198CC..EExtended strand (participates in β ladder)trans-140.9148.9-176.363.80000111.1V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.36Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 3.36Å; S3-D28 PolarHBondContact OG-OD1 3.3Å; S3-C100 WeakPolarHBondContact CA-O 3.14Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.41Å
4M98.7Very high97.6Very high3 Ų338.3 Ų38.32%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-125.5121.7166.4-178.8172.160.900108.6Y6 Y26 V27 F32 G99 C100 C163 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.13Å; M4-Y6 HydrophobicContact CG-CE2 4.02Å; M4-Y6 HydrophobicContact SD-CE2 3.89Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; M4-V27 HydrophobicContact CB-CG2 4.45Å; M4-V27 HydrophobicContact CG-CG2 4.28Å; M4-F32 HydrophobicContact CG-CE1 4.28Å; M4-F32 HydrophobicContact CG-CZ 4.42Å; M4-F32 HydrophobicContact SD-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4Å; M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; M4-C100 PolarHBondContact N-O 2.99Å; M4-C100 PolarHBondContact O-N 2.94Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 VanDerWaalsContact CE-SG 3.58Å; M4-L167 HydrophobicContact CB-CB 3.99Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.15Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.38Å; M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5R98.6Very high97.2Very high52 Ų5241.8 Ų41.820%0.19625%0.254CS..EExtended strand (participates in β ladder)trans-128133.6-175.2-53.3-62-175.875.71.6110.3F7 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; R5-Y26 PolarHBondContact N-O 3.31Å; R5-Y26 PolarHBondContact O-N 3.41Å; R5-D101 IonicContact CZ-OD1 3.24Å; R5-D101 VanDerWaalsContact CZ-OD1 3.27Å; R5-D101 IonicContact CZ-OD2 2.81Å; R5-D101 IonicContact NE-OD1 3.64Å; R5-D101 PolarHBondContact NE-OD1 2.98Å; R5-D101 IonicContact NH2-OD1 2.75Å; R5-D101 PolarHBondContact NH2-OD1 2.91Å; R5-D101 IonicContact NH2-OD2 2.9Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; R5-Y112 VanDerWaalsContact NH2-CE2 3.33Å
6Y98.8Very high97Very high7 Ų752.9 Ų52.93%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-112133.2171.6-72-92000109.3M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.13Å; M4-Y6 HydrophobicContact CG-CE2 4.02Å; M4-Y6 HydrophobicContact SD-CE2 3.89Å; Y6-F8 HydrophobicContact CD1-CE1 4.45Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 HydrophobicContact CE1-CZ 4.27Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; Y6-V33 HydrophobicContact CE1-CG2 4.11Å; Y6-M97 WeakPolarHBondContact O-CA 3.38Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.5Å; Y6-Y98 HydrophobicContact CD2-CD2 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.63Å; Y6-Y98 HydrophobicContact CD2-CE2 3.63Å; Y6-Y98 AromaticContact CD2-CZ 3.91Å; Y6-Y98 HydrophobicContact CE2-CE2 4.44Å; Y6-Y98 HydrophobicContact CG-CE1 4.46Å; Y6-Y98 AromaticContact CG-CE2 3.99Å; Y6-Y98 HydrophobicContact CG-CE2 3.99Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 2.91Å; Y6-Y98 PolarHBondContact O-N 3.46Å
7F98.8Very high96.7Very high84 Ų8453.4 Ų53.437%0.36831%0.311SS..EExtended strand (participates in β ladder)trans-121.5119.9177.6-55.4-96.1000109.1R5 A23 V24 Y26 I96 M97R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.65Å; R5-F7 HydrophobicContact CB-CZ 3.95Å; F7-A23 WeakPolarHBondContact O-CA 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.35Å; F7-V24 PolarHBondContact N-O 2.98Å; F7-V24 PolarHBondContact O-N 3.46Å; F7-Y26 HydrophobicContact CD2-CD2 4.17Å; F7-Y26 HydrophobicContact CE2-CD2 4.23Å; F7-I96 CarbonylContact C-O 3.58Å; F7-I96 VanDerWaalsContact CA-O 3.31Å; F7-I96 WeakPolarHBondContact CA-O 3.01Å; F7-M97 HydrophobicContact CD1-CB 3.99Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.17Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å
8F98.7Very high96.5Very high1 Ų156.1 Ų56.10%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-108.5149172.1-49.4-20.2000110Y6 F21 I22 A23 M66 H69 Q95 I96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.45Å; F8-F21 HydrophobicContact CB-CE2 3.95Å; F8-F21 HydrophobicContact CB-CZ 4.07Å; F8-F21 HydrophobicContact CD1-CZ 4.19Å; F8-F21 AromaticContact CD2-CE2 3.92Å; F8-F21 HydrophobicContact CD2-CE2 3.92Å; F8-F21 AromaticContact CD2-CZ 3.77Å; F8-F21 HydrophobicContact CD2-CZ 3.77Å; F8-F21 HydrophobicContact CE2-CZ 4.2Å; F8-F21 HydrophobicContact CG-CE2 4.04Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; F8-I22 CarbonylContact C-O 3.59Å; F8-I22 VanDerWaalsContact CA-O 3.31Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; F8-A23 HydrophobicContact CD1-CB 3.3Å; F8-A23 HydrophobicContact CE1-CB 3.59Å; F8-A23 HydrophobicContact CG-CB 4.18Å; F8-M66 HydrophobicContact CE1-CE 4.21Å; F8-M66 HydrophobicContact CE1-SD 3.76Å; F8-M66 HydrophobicContact CZ-CE 3.8Å; F8-M66 HydrophobicContact CZ-SD 3.77Å; F8-H69 HydrophobicContact CE2-CB 4.13Å; F8-H69 AromaticContact CE2-CD2 3.88Å; F8-H69 AromaticContact CE2-CE1 3.97Å; F8-H69 AromaticContact CE2-CG 3.63Å; F8-H69 AromaticContact CE2-ND1 3.7Å; F8-Q95 WeakPolarHBondContact O-CA 2.96Å; F8-I96 HydrophobicContact CB-CB 4.2Å; F8-I96 HydrophobicContact CD2-CD1 4.44Å; F8-I96 HydrophobicContact CD2-CG2 4.32Å; F8-I96 PolarHBondContact N-O 3.18Å; F8-I96 PolarHBondContact O-N 2.79Å; F8-Y98 HydrophobicContact CD2-CE1 4.46Å; F8-Y98 HydrophobicContact CE1-CE1 4.04Å; F8-Y98 AromaticContact CE2-CE1 3.76Å; F8-Y98 HydrophobicContact CE2-CE1 3.76Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.35Å
9T98.8Very high96.6Very high47 Ų4754.5 Ų54.529%0.28831%0.312SS..EExtended strand (participates in β ladder)trans-143.3125.2175.5-60.70000109.8V11 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.05Å; T9-I22 PolarHBondContact N-O 3.33Å; T9-I22 PolarHBondContact O-N 3.47Å; T9-T93 HydrophobicContact CG2-CG2 4.04Å; T9-I94 WeakPolarHBondContact CA-O 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å
10S98.7Very high96.6Very high2 Ų255.2 Ų55.21%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-127.5106.2-169.7-66.70000109.6R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; S10-F21 VanDerWaalsContact OG-CD2 3.24Å; S10-F21 WeakPolarHBondContact OG-CD2 3.38Å; S10-D73 VanDerWaalsContact OG-CB 3.3Å; S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 PolarHBondContact OG-OD2 2.84Å; S10-T93 WeakPolarHBondContact O-CA 3.42Å; S10-I94 PolarHBondContact N-O 3.14Å; S10-I94 PolarHBondContact O-N 3.17Å
11V98.5Very high96.7Very high43 Ų4352.6 Ų52.626%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-111.3115.6-171.8-172.90000110.1T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.05Å; V11-P19 CarbonylContact O-C 3.57Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.3Å; V11-R20 PolarHBondContact N-O 2.87Å; V11-R20 PolarHBondContact O-N 3.45Å; V11-H92 CarbonylContact C-O 3.56Å; V11-H92 WeakPolarHBondContact CA-O 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å
12S97.8Very high96.9Very high17 Ų1750.3 Ų50.312%0.11928%0.275CS..  trans-68150173.6770000111.3G90 S91 H92S12-G90 PolarHBondContact OG-O 2.8Å; S12-S91 PolarHBondContact O-OG 3.44Å; S12-H92 PolarHBondContact N-O 2.96Å; S12-H92 PolarHBondContact OG-N 2.88Å; S12-H92 PolarHBondContact OG-O 3.23Å
13R96.2Very high97Very high76 Ų7648.3 Ų48.329%0.28727%0.265SS..  trans-140.169.8-172.6-70.4171.5162.5179.2-6.9111.6G15 R16 D38R13-G15 PolarHBondContact O-N 2.77Å; R13-R16 HydrophobicContact CB-CB 4.21Å; R13-R16 PolarHBondContact O-N 2.94Å; R13-D38 IonicContact CZ-OD2 3.48Å; R13-D38 VanDerWaalsContact CZ-OD2 3.28Å; R13-D38 IonicContact NH1-OD1 2.79Å; R13-D38 PolarHBondContact NH1-OD1 3.44Å; R13-D38 IonicContact NH1-OD2 3.62Å; R13-D38 PolarHBondContact NH1-OD2 3.4Å; R13-D38 IonicContact NH2-OD2 3.35Å; R13-D38 PolarHBondContact NH2-OD2 2.98Å
14P92.7Very high97Very high47 Ų4748.7 Ų48.731%0.30527%0.267SS..THydrogen-bonded Turntrans-49.8132.8-178.6-28.236.9000112.6R16 E88 G90P14-R16 PolarHBondContact O-N 3.4Å; P14-R16 VanDerWaalsContact O-N 3.14Å; P14-E88 VanDerWaalsContact CG-O 3.24Å; P14-E88 WeakPolarHBondContact CG-O 3.48Å; P14-G90 VanDerWaalsContact CG-O 3.24Å; P14-G90 WeakPolarHBondContact CG-O 3.18Å
15G91.6Very high97Very high91 Ų9148.6 Ų48.694%0.93827%0.266SS*.THydrogen-bonded Turntrans67.52.8-17700000116.4R13R13-G15 PolarHBondContact O-N 2.77Å
16R93.4Very high97Very high219 Ų21949.6 Ų49.683%0.82627%0.271SS*.SBendtrans-126.626.4-176.3-58.6-176.8-175.9-174.71.8113.9R13 P14R13-R16 HydrophobicContact CB-CB 4.21Å; R13-R16 PolarHBondContact O-N 2.94Å; P14-R16 PolarHBondContact O-N 3.4Å; P14-R16 VanDerWaalsContact O-N 3.14Å
17G91.9Very high97Very high62 Ų6249.2 Ų49.264%0.63927%0.269SS*.SBendtrans93.3-153.6178.600000113.4
18E94.3Very high96.9Very high101 Ų10146.8 Ų46.847%0.47226%0.26SS..SBendtrans-74.6158.6-176.3-62.6-65.3-18000112.7R20 R74E18-R20 PolarHBondContact O-N 3.07Å; E18-R74 IonicContact OE1-CZ 3.13Å; E18-R74 IonicContact OE1-NH1 2.79Å; E18-R74 PolarHBondContact OE1-NH1 3.35Å; E18-R74 IonicContact OE1-NH2 2.8Å; E18-R74 PolarHBondContact OE1-NH2 3.35Å; E18-R74 IonicContact OE2-CZ 3.84Å; E18-R74 IonicContact OE2-NE 2.68Å; E18-R74 PolarHBondContact OE2-NE 2.94Å; E18-R74 IonicContact OE2-NH1 2.83Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 IonicContact OE2-NH2 2.7Å; E18-R74 PolarHBondContact OE2-NH2 2.86Å
19P97Very high96.8Very high26 Ų2649.6 Ų49.617%0.16928%0.275CS..PPolyproline II helixtrans-57.8134.2168.7-22.533.9000111.6V11 F21 R74 L77V11-P19 CarbonylContact O-C 3.57Å; V11-P19 WeakPolarHBondContact O-CA 3.42Å; V11-P19 WeakPolarHBondContact O-CB 3.3Å; P19-F21 PolarHBondContact O-N 3.28Å; P19-R74 HydrophobicContact CG-CB 4.47Å; P19-R74 HydrophobicContact CG-CG 4.27Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.78Å
20R98.2Very high96.7Very high68 Ų6848.4 Ų48.426%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-77.1127.1172.2-178.1-175.7-163.2166.67.1109.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.47Å; V11-R20 PolarHBondContact N-O 2.87Å; V11-R20 PolarHBondContact O-N 3.45Å; E18-R20 PolarHBondContact O-N 3.07Å; R20-I22 HydrophobicContact CG-CG1 3.99Å; R20-D36 IonicContact CZ-OD1 3.48Å; R20-D36 VanDerWaalsContact CZ-OD1 3.31Å; R20-D36 IonicContact CZ-OD2 3.86Å; R20-D36 IonicContact NE-OD1 3.04Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 3.54Å; R20-D36 IonicContact NH2-OD1 2.74Å; R20-D36 PolarHBondContact NH2-OD1 3.33Å; R20-D36 IonicContact NH2-OD2 3.11Å; R20-D36 PolarHBondContact NH2-OD2 3.18Å; R20-S37 WeakPolarHBondContact CA-OG 3.38Å; R20-S37 WeakPolarHBondContact CG-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CG-OD1 3.42Å; R20-D38 IonicContact CZ-OD2 3.9Å; R20-D38 IonicContact NE-OD2 3.71Å; R20-D38 PolarHBondContact NE-OD2 3.28Å; R20-D38 IonicContact NH1-OD2 3.28Å
21F98.6Very high96.6Very high2 Ų250.7 Ų50.71%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-104.6121.5169.4177.8-86.2000109.1F8 S10 P19 A23 F35 S37 M66 H69 D73F8-F21 HydrophobicContact CB-CE2 3.95Å; F8-F21 HydrophobicContact CB-CZ 4.07Å; F8-F21 HydrophobicContact CD1-CZ 4.19Å; F8-F21 AromaticContact CD2-CE2 3.92Å; F8-F21 HydrophobicContact CD2-CE2 3.92Å; F8-F21 AromaticContact CD2-CZ 3.77Å; F8-F21 HydrophobicContact CD2-CZ 3.77Å; F8-F21 HydrophobicContact CE2-CZ 4.2Å; F8-F21 HydrophobicContact CG-CE2 4.04Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; S10-F21 VanDerWaalsContact OG-CD2 3.24Å; S10-F21 WeakPolarHBondContact OG-CD2 3.38Å; P19-F21 PolarHBondContact O-N 3.28Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.68Å; F21-F35 HydrophobicContact CD1-CD1 3.68Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 AromaticContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CE1 4.39Å; F21-S37 PolarHBondContact N-OG 3.03Å; F21-S37 PolarHBondContact O-N 3.38Å; F21-S37 PolarHBondContact O-OG 2.92Å; F21-M66 HydrophobicContact CE1-CB 4.19Å; F21-M66 HydrophobicContact CE1-SD 4.2Å; F21-M66 HydrophobicContact CZ-SD 4.3Å; F21-H69 HydrophobicContact CE2-CB 3.94Å; F21-H69 HydrophobicContact CZ-CB 3.81Å; F21-D73 HydrophobicContact CD2-CB 4.46Å
22I98.8Very high96.6Very high45 Ų4548.6 Ų48.623%0.23127%0.266CS..EExtended strand (participates in β ladder)trans-114.8135.7168.4-53.7178.9000107.5F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.59Å; F8-I22 VanDerWaalsContact CA-O 3.31Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; T9-I22 PolarHBondContact N-O 3.33Å; T9-I22 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 3.99Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.46Å
23A98.7Very high96.6Very high1 Ų147.8 Ų47.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-126.6141.416800000110.5F7 F8 F21 R34 F35 M66F7-A23 WeakPolarHBondContact O-CA 3.31Å; F8-A23 HydrophobicContact CD1-CB 3.3Å; F8-A23 HydrophobicContact CE1-CB 3.59Å; F8-A23 HydrophobicContact CG-CB 4.18Å; F21-A23 HydrophobicContact CE1-CB 3.62Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.45Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 3.34Å; A23-F35 PolarHBondContact O-N 2.76Å; A23-M66 HydrophobicContact CB-SD 3.61Å
24V98.8Very high96.8Very high29 Ų2948 Ų4818%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-134.4142.7172.8-630000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.35Å; F7-V24 PolarHBondContact N-O 2.98Å; F7-V24 PolarHBondContact O-N 3.46Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.49Å; V24-R34 HydrophobicContact CG1-CG 4.3Å
25G98.6Very high97Very high0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-119.7135.8176.100000110.8Q31 F32 V33G25-Q31 WeakPolarHBondContact O-CG 3.43Å; G25-F32 WeakPolarHBondContact O-CD1 3.29Å; G25-F32 PolarHBondContact O-N 2.92Å; G25-V33 PolarHBondContact N-O 2.91Å; G25-V33 PolarHBondContact O-N 3.46Å
26Y98.6Very high97.4Very high73 Ų7342 Ų4229%0.28621%0.205SC..EExtended strand (participates in β ladder)trans-124.4141.9-179.6-78.4-104.4000110.8M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.48Å; R5-Y26 PolarHBondContact N-O 3.31Å; R5-Y26 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.17Å; F7-Y26 HydrophobicContact CE2-CD2 4.23Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.31Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.43Å; Y26-Q31 HydrophobicContact CD2-CG 4.24Å; Y26-Q31 HydrophobicContact CE1-CB 3.67Å; Y26-Q31 HydrophobicContact CE1-CG 4.39Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.82Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å
27V98.4Very high97.6Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-111.9116.1158.2175.30000106.3S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 WeakPolarHBondContact O-CA 3.36Å; M4-V27 HydrophobicContact CB-CG2 4.45Å; M4-V27 HydrophobicContact CG-CG2 4.28Å; V27-D29 PolarHBondContact O-N 3.46Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 2.92Å; V27-F32 HydrophobicContact CG2-CD1 3.93Å; V27-F32 HydrophobicContact CG2-CE1 3.89Å; V27-W50 HydrophobicContact CB-CH2 4.36Å; V27-W50 HydrophobicContact CB-CZ2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.56Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-Y170 HydrophobicContact CG2-CD2 4.02Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å
28D96.9Very high97.9Very high33 Ų3333.1 Ų33.118%0.17616%0.16CC..THydrogen-bonded Turntrans46.3-128.9-164.3-56.2-45.3000110.9H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.76Å; H2-D28 IonicContact CG-OD2 3Å; H2-D28 IonicContact ND1-OD2 2.74Å; H2-D28 PolarHBondContact ND1-OD2 3.36Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 3.36Å; S3-D28 PolarHBondContact OG-OD1 3.3Å; D28-T30 VanDerWaalsContact C-N 3.26Å; D28-T30 PolarHBondContact O-N 3.49Å
29D95.9Very high98Very high60 Ų6029.7 Ų29.732%0.32115%0.149SC..THydrogen-bonded Turntrans-80.3-3.3179.5-60.7-56.2000114V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.46Å; D29-Y208 HydrophobicContact CB-CE2 4.07Å; D29-P209 VanDerWaalsContact OD2-CB 3.29Å; D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 HydrophobicContact CB-CB 4.38Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 PolarHBondContact OD2-N 3.05Å; D29-F240 HydrophobicContact CB-CE2 3.74Å; D29-F240 HydrophobicContact CB-CZ 3.73Å
30T96.8Very high97.9Very high21 Ų2134 Ų3413%0.12919%0.187CC..EExtended strand (participates in β ladder)trans-95.4114.1-174.2-64.10000112Y26 V27 D28 F32 A48 W50 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.31Å; V27-T30 PolarHBondContact N-O 3.12Å; V27-T30 WeakPolarHBondContact O-CB 3.46Å; V27-T30 PolarHBondContact O-N 2.92Å; D28-T30 VanDerWaalsContact C-N 3.26Å; D28-T30 PolarHBondContact O-N 3.49Å; T30-F32 PolarHBondContact O-N 2.88Å; T30-A48 HydrophobicContact CG2-CB 4.4Å; T30-W50 HydrophobicContact CG2-CZ2 4.38Å; T30-L178 HydrophobicContact CG2-CD2 3.92Å; T30-Y208 PolarHBondContact OG1-OH 2.85Å
31Q97.6Very high97.7Very high50 Ų5033.4 Ų33.423%0.23419%0.193CC..EExtended strand (participates in β ladder)trans-68.6129.6170.7-166.1-176.5-1.800110.5V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CG 3.43Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CB 4.43Å; Y26-Q31 HydrophobicContact CD2-CG 4.24Å; Y26-Q31 HydrophobicContact CE1-CB 3.67Å; Y26-Q31 HydrophobicContact CE1-CG 4.39Å; Y26-Q31 HydrophobicContact CE2-CB 4.03Å; Y26-Q31 HydrophobicContact CE2-CG 3.82Å; Y26-Q31 HydrophobicContact CG-CB 4.46Å; Q31-V33 PolarHBondContact NE2-O 2.89Å; Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.46Å
32F98.1Very high97.6Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-119.2-24.1179.675.4-82.9000114.8M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.28Å; M4-F32 HydrophobicContact CG-CZ 4.42Å; M4-F32 HydrophobicContact SD-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4Å; Y6-F32 HydrophobicContact CE1-CZ 4.27Å; Y6-F32 AromaticContact CZ-CZ 3.9Å; G25-F32 WeakPolarHBondContact O-CD1 3.29Å; G25-F32 PolarHBondContact O-N 2.92Å; V27-F32 HydrophobicContact CG2-CD1 3.93Å; V27-F32 HydrophobicContact CG2-CE1 3.89Å; T30-F32 PolarHBondContact O-N 2.88Å; F32-R47 PolarHBondContact O-N 2.88Å; F32-A48 HydrophobicContact CB-CB 4.27Å; F32-W50 HydrophobicContact CB-CH2 3.18Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; F32-I51 HydrophobicContact CD2-CB 4.4Å; F32-I51 HydrophobicContact CD2-CD1 3.96Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.27Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.31Å; F32-Y170 HydrophobicContact CD2-CE2 4.43Å; F32-Y170 HydrophobicContact CE2-CD2 4.01Å; F32-Y170 AromaticContact CE2-CE2 3.53Å; F32-Y170 HydrophobicContact CE2-CE2 3.53Å; F32-Y170 AromaticContact CE2-CZ 3.95Å; F32-Y170 HydrophobicContact CZ-CD2 4.05Å; F32-Y170 AromaticContact CZ-CE2 3.67Å; F32-Y170 HydrophobicContact CZ-CE2 3.67Å
33V98.5Very high97.5Very high0 Ų040.3 Ų40.30%022%0.223CC..EExtended strand (participates in β ladder)trans-139.1156.5175.2-71.70000113.6Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.11Å; V24-V33 WeakPolarHBondContact CA-O 3.49Å; G25-V33 PolarHBondContact N-O 2.91Å; G25-V33 PolarHBondContact O-N 3.46Å; Q31-V33 PolarHBondContact NE2-O 2.89Å; V33-M44 HydrophobicContact CB-CE 4.46Å; V33-M44 HydrophobicContact CB-CG 4.14Å; V33-M44 HydrophobicContact CB-SD 3.81Å; V33-M44 HydrophobicContact CG1-CG 4.2Å; V33-M44 HydrophobicContact CG1-SD 4.48Å; V33-M44 HydrophobicContact CG2-CE 4.19Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; V33-E45 WeakPolarHBondContact CA-O 3.26Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å
34R98.6Very high97.5Very high79 Ų7940.6 Ų40.630%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-142.2143.7170.5-179.1175.1175.6141.3-0.7111.3A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.45Å; V24-R34 HydrophobicContact CG1-CG 4.3Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NE-OD2 2.91Å; R34-D36 IonicContact NH2-OD2 3.83Å; R34-D36 PolarHBondContact NH2-OD2 3.26Å; R34-E45 PolarHBondContact N-O 3.18Å; R34-E45 PolarHBondContact O-N 3.11Å; R34-R47 HydrophobicContact CB-CG 3.92Å
35F98.8Very high97.5Very high2 Ų241.7 Ų41.71%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-127147.3160.8178.5-78.2000109.2F21 I22 A23 Q42 K43 M44 M66 K67F21-F35 AromaticContact CD1-CD1 3.68Å; F21-F35 HydrophobicContact CD1-CD1 3.68Å; F21-F35 AromaticContact CD1-CE1 3.87Å; F21-F35 HydrophobicContact CD1-CE1 3.87Å; F21-F35 AromaticContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CD1 3.94Å; F21-F35 HydrophobicContact CE1-CE1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.46Å; A23-F35 HydrophobicContact CB-CB 4.28Å; A23-F35 PolarHBondContact N-O 3.34Å; A23-F35 PolarHBondContact O-N 2.76Å; F35-Q42 WeakPolarHBondContact CE2-O 3.41Å; F35-Q42 HydrophobicContact CZ-CB 4.42Å; F35-K43 VanDerWaalsContact CD2-C 3.47Å; F35-K43 WeakPolarHBondContact CD2-O 3.34Å; F35-M44 HydrophobicContact CB-SD 3.94Å; F35-M66 HydrophobicContact CB-CB 4.04Å; F35-M66 HydrophobicContact CB-CG 3.82Å; F35-M66 HydrophobicContact CD1-CB 3.98Å; F35-M66 HydrophobicContact CD2-CB 3.5Å; F35-M66 VanDerWaalsContact CD2-CB 3.5Å; F35-M66 HydrophobicContact CD2-CG 4.05Å; F35-M66 HydrophobicContact CE1-CB 4.32Å; F35-M66 HydrophobicContact CE2-CB 3.88Å; F35-M66 HydrophobicContact CG-CB 3.57Å; F35-M66 HydrophobicContact CG-CG 3.95Å; F35-M66 HydrophobicContact CZ-CB 4.28Å; F35-K67 HydrophobicContact CE2-CG 4.03Å; F35-K67 HydrophobicContact CZ-CG 3.85Å
36D98.6Very high97.4Very high11 Ų1144 Ų446%0.05924%0.242CC..EExtended strand (participates in β ladder)trans-145.8120.9179-159.5-36.7000109.8R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.48Å; R20-D36 VanDerWaalsContact CZ-OD1 3.31Å; R20-D36 IonicContact CZ-OD2 3.86Å; R20-D36 IonicContact NE-OD1 3.04Å; R20-D36 PolarHBondContact NE-OD1 2.88Å; R20-D36 IonicContact NE-OD2 3.54Å; R20-D36 IonicContact NH2-OD1 2.74Å; R20-D36 PolarHBondContact NH2-OD1 3.33Å; R20-D36 IonicContact NH2-OD2 3.11Å; R20-D36 PolarHBondContact NH2-OD2 3.18Å; R34-D36 IonicContact CZ-OD2 2.74Å; R34-D36 IonicContact NE-OD2 2.91Å; R34-D36 IonicContact NH2-OD2 3.83Å; R34-D36 PolarHBondContact NH2-OD2 3.26Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.92Å; D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.18Å
37S98Very high97.4Very high17 Ų1746.3 Ų46.312%0.11925%0.251CS..THydrogen-bonded Turntrans-66-25.4-178.261.50000113.6R20 F21 A39 Q42R20-S37 WeakPolarHBondContact CA-OG 3.38Å; R20-S37 WeakPolarHBondContact CG-OG 3.46Å; F21-S37 PolarHBondContact N-OG 3.03Å; F21-S37 PolarHBondContact O-N 3.38Å; F21-S37 PolarHBondContact O-OG 2.92Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-Q42 PolarHBondContact O-NE2 3.41Å
38D97.3Very high97.3Very high78 Ų7846.7 Ų46.742%0.41725%0.253SS..THydrogen-bonded Turntrans-83.1-8.8-179.4-66.99.4000111.7R13 R20 D36R13-D38 IonicContact CZ-OD2 3.48Å; R13-D38 VanDerWaalsContact CZ-OD2 3.28Å; R13-D38 IonicContact NH1-OD1 2.79Å; R13-D38 PolarHBondContact NH1-OD1 3.44Å; R13-D38 IonicContact NH1-OD2 3.62Å; R13-D38 PolarHBondContact NH1-OD2 3.4Å; R13-D38 IonicContact NH2-OD2 3.35Å; R13-D38 PolarHBondContact NH2-OD2 2.98Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CG-OD1 3.42Å; R20-D38 IonicContact CZ-OD2 3.9Å; R20-D38 IonicContact NE-OD2 3.71Å; R20-D38 PolarHBondContact NE-OD2 3.28Å; R20-D38 IonicContact NH1-OD2 3.28Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.92Å
39A97Very high97.3Very high29 Ų2950 Ų5024%0.2428%0.277CS..SBendtrans-78.6137.1177.900000111.7D36 S37 S41 Q42D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.45Å; D36-A39 PolarHBondContact O-N 3.18Å; S37-A39 VanDerWaalsContact C-N 3.31Å; A39-S41 PolarHBondContact O-N 3.35Å; A39-S41 VanDerWaalsContact O-N 3.12Å; A39-Q42 WeakPolarHBondContact O-CG 3.37Å; A39-Q42 PolarHBondContact O-N 2.97Å
40A95.9Very high97.3Very high116 Ų11647.9 Ų47.996%0.95926%0.264SS*.THydrogen-bonded Turntrans-61.2-23.9-177.500000114.4
41S93.2Very high97.3Very high56 Ų5646.9 Ų46.939%0.39226%0.258SS..THydrogen-bonded Turntrans-72.1-38.2173.356.70000112.4A39 K43 E45A39-S41 PolarHBondContact O-N 3.35Å; A39-S41 VanDerWaalsContact O-N 3.12Å; S41-K43 PolarHBondContact O-N 3.45Å; S41-E45 PolarHBondContact OG-OE1 3.44Å
42Q95.9Very high97.3Very high88 Ų8850.3 Ų50.341%0.41127%0.274SS..  trans38.252-162.1-60.7-170.4-21.400112.1F35 S37 A39 K67F35-Q42 WeakPolarHBondContact CE2-O 3.41Å; F35-Q42 HydrophobicContact CZ-CB 4.42Å; S37-Q42 PolarHBondContact O-NE2 3.41Å; A39-Q42 WeakPolarHBondContact O-CG 3.37Å; A39-Q42 PolarHBondContact O-N 2.97Å; Q42-K67 WeakPolarHBondContact O-CE 3.36Å; Q42-K67 PolarHBondContact O-NZ 2.98Å
43K97.9Very high97.2Very high103 Ų10356.2 Ų56.245%0.44830%0.302SS..SBendtrans-116.7161.7175.5-70.3-156172.9-153.40111F35 S41 D60 T63F35-K43 VanDerWaalsContact CD2-C 3.47Å; F35-K43 WeakPolarHBondContact CD2-O 3.34Å; S41-K43 PolarHBondContact O-N 3.45Å; K43-D60 IonicContact NZ-OD1 2.74Å; K43-T63 HydrophobicContact CB-CG2 4.48Å; K43-T63 HydrophobicContact CG-CG2 4.29Å
44M98.2Very high97.1Very high8 Ų856.8 Ų56.84%0.03930%0.304CS..  trans-71.9131.2159.2-169.870.6100.600107.8V33 F35 W59 E62 T63 M66V33-M44 HydrophobicContact CB-CE 4.46Å; V33-M44 HydrophobicContact CB-CG 4.14Å; V33-M44 HydrophobicContact CB-SD 3.81Å; V33-M44 HydrophobicContact CG1-CG 4.2Å; V33-M44 HydrophobicContact CG1-SD 4.48Å; V33-M44 HydrophobicContact CG2-CE 4.19Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; F35-M44 HydrophobicContact CB-SD 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.19Å; M44-W59 HydrophobicContact CG-CZ3 4.01Å; M44-E62 HydrophobicContact CB-CB 4.07Å; M44-E62 HydrophobicContact CE-CB 4Å; M44-E62 HydrophobicContact CG-CB 4.02Å; M44-T63 PolarHBondContact N-OG1 2.83Å; M44-M66 HydrophobicContact CE-CE 3.9Å; M44-M66 HydrophobicContact CE-CG 3.48Å; M44-M66 VanDerWaalsContact CE-CG 3.48Å; M44-M66 HydrophobicContact CE-SD 3.83Å; M44-M66 HydrophobicContact SD-CG 4.19Å
45E98.1Very high97Very high52 Ų5254.8 Ų54.824%0.24331%0.308CS..EExtended strand (participates in β ladder)trans-122.5137.3-173-64.9173.7168.700110.3V33 R34 S41 R47V33-E45 WeakPolarHBondContact CA-O 3.26Å; R34-E45 PolarHBondContact N-O 3.18Å; R34-E45 PolarHBondContact O-N 3.11Å; S41-E45 PolarHBondContact OG-OE1 3.44Å; E45-R47 IonicContact OE2-CZ 3.62Å; E45-R47 IonicContact OE2-NH2 3.31Å; E45-R47 PolarHBondContact OE2-NH2 3.44Å
46P98.1Very high96.9Very high48 Ų4859.4 Ų59.431%0.31234%0.339SS..EExtended strand (participates in β ladder)trans-65.115017528-35000111.6I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.74Å; P46-E52 HydrophobicContact CB-CG 3.69Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.05Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å
47R97.5Very high96.9Very high122 Ų12267 Ų6746%0.4637%0.374SS..  trans-133.7-2175.5-59.2-66.1160.9179.6-3.2113.8Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; F32-R47 PolarHBondContact O-N 2.88Å; R34-R47 HydrophobicContact CB-CG 3.92Å; E45-R47 IonicContact OE2-CZ 3.62Å; E45-R47 IonicContact OE2-NH2 3.31Å; E45-R47 PolarHBondContact OE2-NH2 3.44Å
48A96.4Very high96.8Very high7 Ų767.8 Ų67.86%0.05837%0.374CS..SBendtrans-138.9143.7170.200000110.4T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.4Å; F32-A48 HydrophobicContact CB-CB 4.27Å; A48-W50 VanDerWaalsContact C-N 3.25Å; A48-W50 HydrophobicContact CB-CD2 4.3Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.19Å; A48-W50 PolarHBondContact O-N 3.39Å; A48-W50 VanDerWaalsContact O-N 3.16Å; A48-I51 WeakPolarHBondContact O-CG2 3.31Å; A48-I51 PolarHBondContact O-N 2.89Å
49P96.5Very high96.9Very high102 Ų10265.9 Ų65.966%0.66236%0.361SS*.Hα-helixtrans-58.9-33.3-175-2735.4000114.4I51 E52P49-I51 PolarHBondContact O-N 2.92Å; P49-E52 WeakPolarHBondContact O-CB 3.17Å; P49-E52 PolarHBondContact O-N 3.31Å
50W96.4Very high96.9Very high16 Ų1668.1 Ų68.16%0.06137%0.369CS..Hα-helixtrans-70.8-11.2-176.556.5-107.7000115V27 T30 F32 A48 Q53 Y170 N173 G174 L178V27-W50 HydrophobicContact CB-CH2 4.36Å; V27-W50 HydrophobicContact CB-CZ2 4.48Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; T30-W50 HydrophobicContact CG2-CZ2 4.38Å; F32-W50 HydrophobicContact CB-CH2 3.18Å; F32-W50 HydrophobicContact CB-CZ2 3.4Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CH2 3.83Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; A48-W50 VanDerWaalsContact C-N 3.25Å; A48-W50 HydrophobicContact CB-CD2 4.3Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4.19Å; A48-W50 PolarHBondContact O-N 3.39Å; A48-W50 VanDerWaalsContact O-N 3.16Å; W50-Q53 PolarHBondContact O-NE2 3.46Å; W50-Y170 HydrophobicContact CH2-CG 4.22Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.66Å; W50-Y170 HydrophobicContact CZ3-CG 3.66Å; W50-N173 HydrophobicContact CB-CB 4.49Å; W50-N173 WeakPolarHBondContact CB-O 3.49Å; W50-N173 HydrophobicContact CE3-CB 4.42Å; W50-G174 VanDerWaalsContact CB-CA 3.43Å; W50-L178 HydrophobicContact CD2-CD1 4.37Å; W50-L178 HydrophobicContact CH2-CD1 4.17Å; W50-L178 HydrophobicContact CZ2-CD1 3.7Å; W50-L178 HydrophobicContact CZ2-CD2 3.92Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å
51I97.8Very high97Very high0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-92.2-19.3170.1-162.373.6000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.4Å; F32-I51 HydrophobicContact CD2-CD1 3.96Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.27Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.31Å; V33-I51 HydrophobicContact CG1-CG1 4.36Å; P46-I51 HydrophobicContact CB-CG2 3.74Å; A48-I51 WeakPolarHBondContact O-CG2 3.31Å; A48-I51 PolarHBondContact O-N 2.89Å; P49-I51 PolarHBondContact O-N 2.92Å; I51-Q53 PolarHBondContact O-N 2.92Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; I51-E54 HydrophobicContact CD1-CG 3.54Å; I51-E54 HydrophobicContact CG1-CG 3.96Å; I51-E54 VanDerWaalsContact O-CB 3.29Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.36Å; I51-E54 PolarHBondContact O-N 2.9Å; I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.13Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.41Å; I51-Y170 HydrophobicContact CD1-CD1 3.75Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å
52E96.7Very high97.2Very high122 Ų12265 Ų6557%0.5733%0.329SS*.Hα-helixtrans-64-22.3-175.7-63.5-179.2-169.800113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.69Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P49-E52 WeakPolarHBondContact O-CB 3.17Å; P49-E52 PolarHBondContact O-N 3.31Å; E52-E54 PolarHBondContact O-N 2.87Å
53Q95.2Very high97.4Very high125 Ų12561.3 Ų61.358%0.58431%0.312SS*.THydrogen-bonded Turntrans-73.8-4.6172.6651772.500114.6W50 I51 N173W50-Q53 PolarHBondContact O-NE2 3.46Å; I51-Q53 PolarHBondContact O-N 2.92Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å; Q53-N173 PolarHBondContact NE2-OD1 2.81Å
54E96.8Very high97.4Very high11 Ų1163.9 Ų63.95%0.05132%0.319CS..SBendtrans-67.2135.2172.8-70.8-60.8157.200111.6I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.54Å; I51-E54 HydrophobicContact CG1-CG 3.96Å; I51-E54 VanDerWaalsContact O-CB 3.29Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.36Å; I51-E54 PolarHBondContact O-N 2.9Å; E52-E54 PolarHBondContact O-N 2.87Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CG 3.84Å; E54-Y58 HydrophobicContact CG-CD1 3.84Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; E54-W59 HydrophobicContact CB-CZ2 4.3Å; E54-W59 VanDerWaalsContact O-CD1 3.31Å; E54-W59 PolarHBondContact O-NE1 3.29Å; E54-R169 VanDerWaalsContact CD-CZ 3.41Å; E54-R169 IonicContact OE1-CZ 3.51Å; E54-R169 IonicContact OE1-NE 3.19Å; E54-R169 IonicContact OE1-NH1 3.66Å; E54-R169 PolarHBondContact OE1-NH1 3.34Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 2.91Å; E54-R169 IonicContact OE2-CZ 3.64Å; E54-R169 IonicContact OE2-NH1 3.71Å; E54-R169 PolarHBondContact OE2-NH1 2.97Å; E54-R169 IonicContact OE2-NH2 2.74Å; E54-R169 PolarHBondContact OE2-NH2 3.22Å; E54-N173 PolarHBondContact OE1-ND2 3.11Å
55G96.6Very high97.3Very high37 Ų3765.8 Ų65.838%0.38133%0.329SS..  trans-67.4164.1-176.700000113.9E57 Y58G55-E57 PolarHBondContact O-N 3.27Å; G55-E57 VanDerWaalsContact O-N 3.12Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.01Å
56P97.3Very high97.3Very high99 Ų9963.4 Ų63.464%0.64332%0.318SS*.Hα-helixtrans-57.7-31.9-177.423.5-34.2000113.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; P56-W59 PolarHBondContact O-N 2.85Å; P56-D60 PolarHBondContact O-N 3.27Å
57E97.7Very high97.3Very high170 Ų17065 Ų6579%0.79432%0.32SS*.Hα-helixtrans-59.7-36176.3-60.7-174.3171.800113G55 Q61G55-E57 PolarHBondContact O-N 3.27Å; G55-E57 VanDerWaalsContact O-N 3.12Å; E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 3.41Å
58Y97.3Very high97.3Very high34 Ų3462 Ų6213%0.13332%0.321CS..Hα-helixtrans-66.4-50.9174.7171.3-96.5000110.7I51 E54 G55 P56 D60 Q61 E62 Y170I51-Y58 HydrophobicContact CD1-CE1 4.19Å; I51-Y58 HydrophobicContact CG1-CE1 4.13Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CG 3.84Å; E54-Y58 HydrophobicContact CG-CD1 3.84Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.01Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; Y58-D60 PolarHBondContact O-N 2.81Å; Y58-Q61 PolarHBondContact O-N 2.69Å; Y58-E62 HydrophobicContact CD2-CG 4.26Å; Y58-E62 HydrophobicContact CE1-CG 4.33Å; Y58-E62 HydrophobicContact CE2-CG 3.86Å; Y58-E62 WeakPolarHBondContact O-CB 3.26Å; Y58-E62 PolarHBondContact O-N 3.14Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.39Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å
59W98.3Very high97.4Very high38 Ų3863.5 Ų63.514%0.14433%0.327CS..Hα-helixtrans-64.1-39.4-177.9-64.7109.3000113V33 M44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.03Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.19Å; M44-W59 HydrophobicContact CG-CZ3 4.01Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 4.05Å; P46-W59 HydrophobicContact CB-CZ3 4.45Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.83Å; I51-W59 HydrophobicContact CG1-CZ2 3.99Å; I51-W59 HydrophobicContact CG2-CH2 3.95Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.41Å; E54-W59 HydrophobicContact CB-CZ2 4.3Å; E54-W59 VanDerWaalsContact O-CD1 3.31Å; E54-W59 PolarHBondContact O-NE1 3.29Å; P56-W59 PolarHBondContact O-N 2.85Å; W59-T63 WeakPolarHBondContact O-CB 3.47Å; W59-T63 PolarHBondContact O-N 2.67Å; W59-T63 PolarHBondContact O-OG1 2.7Å
60D98.2Very high97.4Very high77 Ų7759.4 Ų59.441%0.41230%0.301SS..Hα-helixtrans-73-35.3174.9-77.6-20.1000111.7K43 P56 Y58 R64K43-D60 IonicContact NZ-OD1 2.74Å; P56-D60 PolarHBondContact O-N 3.27Å; Y58-D60 PolarHBondContact O-N 2.81Å; D60-R64 WeakPolarHBondContact O-CB 3.35Å; D60-R64 VanDerWaalsContact O-CG 3.28Å; D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.48Å
61Q97.7Very high97.5Very high77 Ų7763.8 Ų63.836%0.3632%0.322SS..Hα-helixtrans-66-48.2173.8-175.257.242.700112E57 Y58 R64 N65E57-Q61 WeakPolarHBondContact O-CB 3.4Å; E57-Q61 PolarHBondContact O-N 3.41Å; Y58-Q61 PolarHBondContact O-N 2.69Å; Q61-R64 PolarHBondContact O-N 3.16Å; Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 2.87Å; Q61-N65 PolarHBondContact O-ND2 2.8Å; Q61-N65 PolarHBondContact O-OD1 2.97Å
62E97.6Very high97.5Very high29 Ų2967.1 Ų67.114%0.13634%0.343CS..Hα-helixtrans-67.1-36.9178.6-73.7-54.1110.900111.9M44 Y58 R64 N65 M66M44-E62 HydrophobicContact CB-CB 4.07Å; M44-E62 HydrophobicContact CE-CB 4Å; M44-E62 HydrophobicContact CG-CB 4.02Å; Y58-E62 HydrophobicContact CD2-CG 4.26Å; Y58-E62 HydrophobicContact CE1-CG 4.33Å; Y58-E62 HydrophobicContact CE2-CG 3.86Å; Y58-E62 WeakPolarHBondContact O-CB 3.26Å; Y58-E62 PolarHBondContact O-N 3.14Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.89Å; E62-N65 PolarHBondContact O-N 2.95Å; E62-N65 PolarHBondContact OE1-ND2 2.96Å; E62-M66 WeakPolarHBondContact O-CG 3.32Å; E62-M66 PolarHBondContact O-N 2.95Å
63T98.5Very high97.5Very high11 Ų1161.4 Ų61.47%0.06732%0.316CS..Hα-helixtrans-59.6-42.7170.6-64.40000111.8K43 M44 W59 K67K43-T63 HydrophobicContact CB-CG2 4.48Å; K43-T63 HydrophobicContact CG-CG2 4.29Å; M44-T63 PolarHBondContact N-OG1 2.83Å; W59-T63 WeakPolarHBondContact O-CB 3.47Å; W59-T63 PolarHBondContact O-N 2.67Å; W59-T63 PolarHBondContact O-OG1 2.7Å; T63-K67 HydrophobicContact CG2-CD 4.4Å; T63-K67 WeakPolarHBondContact O-CG 3.43Å; T63-K67 PolarHBondContact O-N 2.8Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64R98.3Very high97.6Very high156 Ų15660.5 Ų60.559%0.58931%0.307SS*.Hα-helixtrans-65.6-42.3174.9-73.6-175.3-59-161.14.7111.8D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.35Å; D60-R64 VanDerWaalsContact O-CG 3.28Å; D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.48Å; Q61-R64 PolarHBondContact O-N 3.16Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.89Å; R64-K67 PolarHBondContact O-N 2.75Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 2.73Å
65N97.1Very high97.6Very high48 Ų4862.8 Ų62.826%0.25733%0.328SS..Hα-helixtrans-59-48177-69-17.8000111.3Q61 E62 A68 H69Q61-N65 PolarHBondContact NE2-OD1 2.9Å; Q61-N65 PolarHBondContact O-N 2.87Å; Q61-N65 PolarHBondContact O-ND2 2.8Å; Q61-N65 PolarHBondContact O-OD1 2.97Å; E62-N65 PolarHBondContact O-N 2.95Å; E62-N65 PolarHBondContact OE1-ND2 2.96Å; N65-A68 PolarHBondContact O-N 2.89Å; N65-H69 PolarHBondContact O-N 3.46Å
66M98Very high97.7Very high2 Ų263.9 Ų63.91%0.0133%0.325CS..Hα-helixtrans-67.5-37.6179.6-64.3-51.8109.900112.7F8 F21 A23 F35 M44 E62 H69 S70F8-M66 HydrophobicContact CE1-CE 4.21Å; F8-M66 HydrophobicContact CE1-SD 3.76Å; F8-M66 HydrophobicContact CZ-CE 3.8Å; F8-M66 HydrophobicContact CZ-SD 3.77Å; F21-M66 HydrophobicContact CE1-CB 4.19Å; F21-M66 HydrophobicContact CE1-SD 4.2Å; F21-M66 HydrophobicContact CZ-SD 4.3Å; A23-M66 HydrophobicContact CB-SD 3.61Å; F35-M66 HydrophobicContact CB-CB 4.04Å; F35-M66 HydrophobicContact CB-CG 3.82Å; F35-M66 HydrophobicContact CD1-CB 3.98Å; F35-M66 HydrophobicContact CD2-CB 3.5Å; F35-M66 VanDerWaalsContact CD2-CB 3.5Å; F35-M66 HydrophobicContact CD2-CG 4.05Å; F35-M66 HydrophobicContact CE1-CB 4.32Å; F35-M66 HydrophobicContact CE2-CB 3.88Å; F35-M66 HydrophobicContact CG-CB 3.57Å; F35-M66 HydrophobicContact CG-CG 3.95Å; F35-M66 HydrophobicContact CZ-CB 4.28Å; M44-M66 HydrophobicContact CE-CE 3.9Å; M44-M66 HydrophobicContact CE-CG 3.48Å; M44-M66 VanDerWaalsContact CE-CG 3.48Å; M44-M66 HydrophobicContact CE-SD 3.83Å; M44-M66 HydrophobicContact SD-CG 4.19Å; E62-M66 WeakPolarHBondContact O-CG 3.32Å; E62-M66 PolarHBondContact O-N 2.95Å; M66-H69 PolarHBondContact O-N 2.92Å; M66-S70 WeakPolarHBondContact O-CB 3.33Å; M66-S70 PolarHBondContact O-N 3.22Å
67K98.1Very high97.7Very high82 Ų8259.5 Ų59.536%0.35730%0.296SS..Hα-helixtrans-65.2-39.6174.5-72.8-173.9-174.6-167.90112.5F35 Q42 T63 R64 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.03Å; F35-K67 HydrophobicContact CZ-CG 3.85Å; Q42-K67 WeakPolarHBondContact O-CE 3.36Å; Q42-K67 PolarHBondContact O-NZ 2.98Å; T63-K67 HydrophobicContact CG2-CD 4.4Å; T63-K67 WeakPolarHBondContact O-CG 3.43Å; T63-K67 PolarHBondContact O-N 2.8Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 2.75Å; K67-S70 PolarHBondContact O-N 3.22Å; K67-Q71 PolarHBondContact O-N 2.72Å
68A98.1Very high97.6Very high58 Ų5853.3 Ų53.348%0.47928%0.278SS..Hα-helixtrans-65.3-40.6174.200000112.2R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 2.73Å; N65-A68 PolarHBondContact O-N 2.89Å; A68-Q71 PolarHBondContact O-N 2.93Å; A68-T72 WeakPolarHBondContact O-CB 3.35Å; A68-T72 PolarHBondContact O-N 3.19Å; A68-T72 PolarHBondContact O-OG1 2.79Å
69H97.3Very high97.6Very high40 Ų4054.3 Ų54.319%0.18529%0.288CS..Hα-helixtrans-63.4-44.7173.6-94.9-70.7000112.5F8 F21 N65 M66 Q71 T72 D73F8-H69 HydrophobicContact CE2-CB 4.13Å; F8-H69 AromaticContact CE2-CD2 3.88Å; F8-H69 AromaticContact CE2-CE1 3.97Å; F8-H69 AromaticContact CE2-CG 3.63Å; F8-H69 AromaticContact CE2-ND1 3.7Å; F21-H69 HydrophobicContact CE2-CB 3.94Å; F21-H69 HydrophobicContact CZ-CB 3.81Å; N65-H69 PolarHBondContact O-N 3.46Å; M66-H69 PolarHBondContact O-N 2.92Å; H69-Q71 VanDerWaalsContact C-N 3.34Å; H69-Q71 PolarHBondContact O-N 2.91Å; H69-T72 WeakPolarHBondContact O-CB 3.46Å; H69-T72 PolarHBondContact O-N 3.18Å; H69-D73 PolarHBondContact O-N 2.95Å
70S97.4Very high97.6Very high16 Ų1653 Ų5311%0.11228%0.283CS..Hα-helixtrans-56.2-43.2176172.60000113.1M66 K67 R74M66-S70 WeakPolarHBondContact O-CB 3.33Å; M66-S70 PolarHBondContact O-N 3.22Å; K67-S70 PolarHBondContact O-N 3.22Å; S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 2.79Å
71Q97.6Very high97.6Very high108 Ų10852.6 Ų52.651%0.50528%0.276SS..Hα-helixtrans-72.3-31175.8-61.9-52.7-5000113K67 A68 H69 A75K67-Q71 PolarHBondContact O-N 2.72Å; A68-Q71 PolarHBondContact O-N 2.93Å; H69-Q71 VanDerWaalsContact C-N 3.34Å; H69-Q71 PolarHBondContact O-N 2.91Å; Q71-A75 PolarHBondContact O-N 2.96Å
72T97.6Very high97.5Very high70 Ų7051 Ų5143%0.42928%0.28SS..Hα-helixtrans-66.4-47.6174.5-58.70000110.6A68 H69 R74 A75 N76A68-T72 WeakPolarHBondContact O-CB 3.35Å; A68-T72 PolarHBondContact O-N 3.19Å; A68-T72 PolarHBondContact O-OG1 2.79Å; H69-T72 WeakPolarHBondContact O-CB 3.46Å; H69-T72 PolarHBondContact O-N 3.18Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 2.96Å; T72-A75 PolarHBondContact O-N 2.76Å; T72-A75 VanDerWaalsContact O-N 3.14Å; T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 3.44Å; T72-N76 PolarHBondContact O-ND2 2.75Å
73D96.9Very high97.6Very high2 Ų252 Ų521%0.01128%0.283CS..Hα-helixtrans-67.2-34.9179.6-78.914.9000112.3S10 F21 H69 A75 N76 L77S10-D73 VanDerWaalsContact OG-CB 3.3Å; S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 PolarHBondContact OG-OD2 2.84Å; F21-D73 HydrophobicContact CD2-CB 4.46Å; H69-D73 PolarHBondContact O-N 2.95Å; D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 3.3Å; D73-N76 PolarHBondContact O-N 3.04Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.94Å
74R96.9Very high97.5Very high106 Ų10654.8 Ų54.840%0.429%0.293SS..Hα-helixtrans-54.4-47.3168.7175.7-164.2173.8145.120.8111.7E18 P19 S70 T72E18-R74 IonicContact OE1-CZ 3.13Å; E18-R74 IonicContact OE1-NH1 2.79Å; E18-R74 PolarHBondContact OE1-NH1 3.35Å; E18-R74 IonicContact OE1-NH2 2.8Å; E18-R74 PolarHBondContact OE1-NH2 3.35Å; E18-R74 IonicContact OE2-CZ 3.84Å; E18-R74 IonicContact OE2-NE 2.68Å; E18-R74 PolarHBondContact OE2-NE 2.94Å; E18-R74 IonicContact OE2-NH1 2.83Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 IonicContact OE2-NH2 2.7Å; E18-R74 PolarHBondContact OE2-NH2 2.86Å; P19-R74 HydrophobicContact CG-CB 4.47Å; P19-R74 HydrophobicContact CG-CG 4.27Å; S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 2.79Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 2.96Å
75A97.4Very high97.4Very high58 Ų5854.6 Ų54.648%0.47930%0.303SS..Hα-helixtrans-70-35.6178.400000112.2Q71 T72 D73 T79Q71-A75 PolarHBondContact O-N 2.96Å; T72-A75 PolarHBondContact O-N 2.76Å; T72-A75 VanDerWaalsContact O-N 3.14Å; D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 3.3Å; A75-T79 WeakPolarHBondContact O-CB 3.32Å; A75-T79 PolarHBondContact O-N 2.79Å; A75-T79 VanDerWaalsContact O-N 3.11Å; A75-T79 PolarHBondContact O-OG1 2.57Å
76N97.8Very high97.4Very high61 Ų6155.1 Ų55.133%0.32630%0.304SS..Hα-helixtrans-65.1-42.1174.9-67.5-26.8000111.9T72 D73 G78 T79 L80 I94T72-N76 VanDerWaalsContact O-CG 3.26Å; T72-N76 PolarHBondContact O-N 3.44Å; T72-N76 PolarHBondContact O-ND2 2.75Å; D73-N76 PolarHBondContact O-N 3.04Å; N76-G78 VanDerWaalsContact C-N 3.33Å; N76-G78 PolarHBondContact O-N 3.45Å; N76-T79 CarbonylContact O-C 3.58Å; N76-T79 WeakPolarHBondContact O-CA 3.35Å; N76-T79 WeakPolarHBondContact O-CB 3.44Å; N76-T79 PolarHBondContact O-N 2.83Å; N76-L80 WeakPolarHBondContact O-CG 3.15Å; N76-L80 PolarHBondContact O-N 2.36Å; N76-I94 HydrophobicContact CB-CD1 3.49Å; N76-I94 VanDerWaalsContact CB-CD1 3.49Å
77L97.9Very high97.3Very high7 Ų758.7 Ų58.74%0.03733%0.329CS..Hα-helixtrans-55.5-46.1177.1-81.6163.1000111.9P19 D73 T79 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.78Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 2.94Å; L77-T79 VanDerWaalsContact C-N 3.35Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.18Å; L77-R81 PolarHBondContact O-N 2.84Å; L77-R81 VanDerWaalsContact O-N 3.13Å; L77-H92 HydrophobicContact CD2-CB 4.11Å; L77-I94 HydrophobicContact CD2-CD1 4.13Å; L77-I94 HydrophobicContact CD2-CG1 3.85Å; L77-I94 HydrophobicContact CG-CD1 3.84Å; L77-I94 HydrophobicContact CG-CG1 4.11Å; L77-Y117 HydrophobicContact CD2-CE2 4.3Å
78G96.1Very high97Very high39 Ų3960.9 Ų60.940%0.40234%0.341SS..Hα-helixtrans-66.4-34.917500000113.4N76 G82N76-G78 VanDerWaalsContact C-N 3.33Å; N76-G78 PolarHBondContact O-N 3.45Å; G78-G82 PolarHBondContact O-N 2.93Å
79T97.7Very high96.7Very high56 Ų5665 Ų6534%0.34436%0.355SS..Hα-helixtrans-69.5-46.4178.5-60.10000112.1A75 N76 L77 G82 Y83A75-T79 WeakPolarHBondContact O-CB 3.32Å; A75-T79 PolarHBondContact O-N 2.79Å; A75-T79 VanDerWaalsContact O-N 3.11Å; A75-T79 PolarHBondContact O-OG1 2.57Å; N76-T79 CarbonylContact O-C 3.58Å; N76-T79 WeakPolarHBondContact O-CA 3.35Å; N76-T79 WeakPolarHBondContact O-CB 3.44Å; N76-T79 PolarHBondContact O-N 2.83Å; L77-T79 VanDerWaalsContact C-N 3.35Å; T79-G82 PolarHBondContact O-N 2.85Å; T79-Y83 HydrophobicContact CG2-CD1 4.38Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.97Å; T79-Y83 PolarHBondContact O-N 2.83Å
80L98Very high96.5Very high11 Ų1163.8 Ų63.86%0.05835%0.354CS..Hα-helixtrans-65.7-47.1179-65.7178.9000111N76 G82 Y83 Y84 I94 Y117 Y122N76-L80 WeakPolarHBondContact O-CG 3.15Å; N76-L80 PolarHBondContact O-N 2.36Å; L80-G82 PolarHBondContact O-N 3.16Å; L80-G82 VanDerWaalsContact O-N 3.15Å; L80-Y83 HydrophobicContact CD2-CD2 4.06Å; L80-Y83 HydrophobicContact CD2-CE2 4.39Å; L80-Y83 PolarHBondContact O-N 3.27Å; L80-Y84 HydrophobicContact CB-CD2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.21Å; L80-Y84 PolarHBondContact O-N 2.85Å; L80-I94 HydrophobicContact CD1-CD1 3.66Å; L80-I94 HydrophobicContact CD1-CG1 3.72Å; L80-Y117 HydrophobicContact CB-CD1 4.31Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 3.9Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD1 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.78Å; L80-Y117 HydrophobicContact CG-CD2 4.47Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.5Å; L80-Y122 HydrophobicContact CD2-CD2 4.46Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.7Å; L80-Y122 VanDerWaalsContact CD2-OH 3.31Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.13Å
81R97Very high96.5Very high67 Ų6766.9 Ų66.925%0.25338%0.375SS..Hα-helixtrans-51-39.7172.5-171.2-165.168169.310.4111.7L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.18Å; L77-R81 PolarHBondContact O-N 2.84Å; L77-R81 VanDerWaalsContact O-N 3.13Å; R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 VanDerWaalsContact O-N 3.11Å; R81-Q86 HydrophobicContact CG-CB 3.77Å; R81-Q86 PolarHBondContact O-N 3.15Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 3.71Å; R81-E88 PolarHBondContact NH1-OE1 2.95Å; R81-E88 IonicContact NH2-OE1 3.25Å; R81-E88 PolarHBondContact NH2-OE1 2.03Å; R81-Y117 PolarHBondContact N-OH 2.82Å
82G97.1Very high96.5Very high43 Ų4362.5 Ų62.544%0.44335%0.354SS..Hα-helixtrans-66.4-47.117300000114G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.93Å; T79-G82 PolarHBondContact O-N 2.85Å; L80-G82 PolarHBondContact O-N 3.16Å; L80-G82 VanDerWaalsContact O-N 3.15Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 2.94Å; G82-N85 PolarHBondContact O-N 2.89Å
83Y97.9Very high96.6Very high52 Ų5260.7 Ų60.720%0.20434%0.344CS..Hα-helixtrans-61-36.3177.3-65.4-13.4000112.9T79 L80 A138 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.38Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.97Å; T79-Y83 PolarHBondContact O-N 2.83Å; L80-Y83 HydrophobicContact CD2-CD2 4.06Å; L80-Y83 HydrophobicContact CD2-CE2 4.39Å; L80-Y83 PolarHBondContact O-N 3.27Å; Y83-A138 HydrophobicContact CD2-CB 4.31Å; Y83-I141 HydrophobicContact CD1-CD1 4.07Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CG2 4.02Å; Y83-I141 HydrophobicContact CE2-CB 4.08Å; Y83-I141 HydrophobicContact CE2-CG2 4.18Å; Y83-I141 HydrophobicContact CG-CD1 4.12Å; Y83-K145 PolarHBondContact OH-NZ 3.15Å
84Y97.8Very high96.6Very high69 Ų6961 Ų6127%0.27135%0.345SS..THydrogen-bonded Turntrans-89.6-1179.6-69.9-71000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CB-CD2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.21Å; L80-Y84 PolarHBondContact O-N 2.85Å; G82-Y84 VanDerWaalsContact C-N 3.29Å; G82-Y84 PolarHBondContact O-N 2.94Å; Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.45Å; Y84-Y117 HydrophobicContact CD2-CE1 3.45Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.45Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.42Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.26Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.1Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D136 VanDerWaalsContact OH-CG 3.29Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.37Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4Å
85N96.8Very high96.7Very high151 Ų15159.8 Ų59.881%0.80734%0.344SS*.THydrogen-bonded Turntrans55.636.9-177.3-51.7-86.5000113.6R81 G82R81-N85 PolarHBondContact O-N 2.87Å; R81-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-N 2.89Å
86Q97.1Very high96.8Very high60 Ų6057.2 Ų57.228%0.2832%0.322SS..  trans-82.5154.9-178.5-70.4162.3-49.500112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.77Å; R81-Q86 PolarHBondContact O-N 3.15Å; Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Q86-H92 PolarHBondContact NE2-CE1 3.21Å; Q86-H92 PolarHBondContact NE2-ND1 2.98Å; Q86-Y117 PolarHBondContact OE1-OH 3.01Å; Q86-D118 PolarHBondContact NE2-OD2 3.29Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.14Å
87S94.9Very high96.8Very high76 Ų7655.5 Ų55.553%0.53131%0.312SS..  trans-71.3155-178.352.80000113.2D89 G90S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact O-N 2.8Å; S87-G90 PolarHBondContact O-N 3.01Å
88E91.4Very high96.9Very high128 Ų12856 Ų5660%0.59831%0.314SS*.THydrogen-bonded Turntrans-69.9-27.8-179.7-58.9-141.294.900113.6P14 R81 G90P14-E88 VanDerWaalsContact CG-O 3.24Å; P14-E88 WeakPolarHBondContact CG-O 3.48Å; R81-E88 IonicContact CZ-OE1 2.7Å; R81-E88 IonicContact NH1-OE1 3.71Å; R81-E88 PolarHBondContact NH1-OE1 2.95Å; R81-E88 IonicContact NH2-OE1 3.25Å; R81-E88 PolarHBondContact NH2-OE1 2.03Å; E88-G90 PolarHBondContact O-N 2.88Å
89D91.8Very high97Very high144 Ų14454.1 Ų54.177%0.7730%0.295SS*.THydrogen-bonded Turntrans-74.7-4.1176.9-50.4-67000113.5S87S87-D89 VanDerWaalsContact C-N 3.31Å; S87-D89 PolarHBondContact O-N 2.8Å
90G93.1Very high97Very high16 Ų1651.5 Ų51.517%0.16528%0.278CS..  trans-71.8125.4179.300000113.8S12 P14 S87 E88 H92S12-G90 PolarHBondContact OG-O 2.8Å; P14-G90 VanDerWaalsContact CG-O 3.24Å; P14-G90 WeakPolarHBondContact CG-O 3.18Å; S87-G90 PolarHBondContact O-N 3.01Å; E88-G90 PolarHBondContact O-N 2.88Å; G90-H92 PolarHBondContact O-CD2 3.07Å
91S97.3Very high97.1Very high80 Ų8052.3 Ų52.356%0.55928%0.283SS*.  trans-79.4117.4163.8-175.40000108.7S12S12-S91 PolarHBondContact O-OG 3.44Å
92H98.3Very high97.1Very high16 Ų1649.1 Ų49.17%0.07427%0.271CS..  trans-123.6152.2-175.3-66.3-70000111.2V11 S12 L77 Q86 G90 Y117 D118V11-H92 CarbonylContact C-O 3.56Å; V11-H92 WeakPolarHBondContact CA-O 3.46Å; S12-H92 PolarHBondContact N-O 2.96Å; S12-H92 PolarHBondContact OG-N 2.88Å; S12-H92 PolarHBondContact OG-O 3.23Å; L77-H92 HydrophobicContact CD2-CB 4.11Å; Q86-H92 PolarHBondContact NE2-CE1 3.21Å; Q86-H92 PolarHBondContact NE2-ND1 2.98Å; G90-H92 PolarHBondContact O-CD2 3.07Å; H92-Y117 HydrophobicContact CB-CE2 3.95Å; H92-Y117 PolarHBondContact ND1-OH 3.48Å; H92-D118 WeakPolarHBondContact CA-OD1 3.48Å; H92-D118 WeakPolarHBondContact CB-OD1 3.41Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.19Å; H92-D118 IonicContact CG-OD2 2.97Å; H92-D118 IonicContact ND1-OD1 3.31Å; H92-D118 PolarHBondContact ND1-OD1 2.86Å; H92-D118 IonicContact ND1-OD2 3.98Å; H92-D118 PolarHBondContact ND1-OD2 3.06Å
93T98.7Very high97.1Very high33 Ų3347.3 Ų47.320%0.20225%0.252CS..EExtended strand (participates in β ladder)trans-128.3124.9-174.6-56.30000111.3T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.04Å; S10-T93 WeakPolarHBondContact O-CA 3.42Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.99Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.31Å; T93-D118 PolarHBondContact N-OD1 3.24Å; T93-D118 PolarHBondContact O-N 3.39Å
94I98.8Very high97Very high7 Ų750.9 Ų50.94%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-96.6134160.3-66.2174.8000108.2T9 S10 N76 L77 L80 I96 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.41Å; S10-I94 PolarHBondContact N-O 3.14Å; S10-I94 PolarHBondContact O-N 3.17Å; N76-I94 HydrophobicContact CB-CD1 3.49Å; N76-I94 VanDerWaalsContact CB-CD1 3.49Å; L77-I94 HydrophobicContact CD2-CD1 4.13Å; L77-I94 HydrophobicContact CD2-CG1 3.85Å; L77-I94 HydrophobicContact CG-CD1 3.84Å; L77-I94 HydrophobicContact CG-CG1 4.11Å; L80-I94 HydrophobicContact CD1-CD1 3.66Å; L80-I94 HydrophobicContact CD1-CG1 3.72Å; I94-I96 HydrophobicContact CG2-CD1 4.06Å; I94-I96 HydrophobicContact CG2-CG1 3.99Å; I94-A116 WeakPolarHBondContact CA-O 3.4Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å
95Q98.8Very high96.8Very high81 Ų8151.9 Ų51.938%0.37929%0.292SS..EExtended strand (participates in β ladder)trans-120.6142.2167.6-73167.2-87.800109.2F8 T9 T93 D115 A116F8-Q95 WeakPolarHBondContact O-CA 2.96Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å; T93-Q95 HydrophobicContact CG2-CG 3.99Å; Q95-D115 WeakPolarHBondContact O-CA 3.45Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.42Å; Q95-A116 PolarHBondContact O-N 2.81Å
96I98.6Very high96.7Very high5 Ų545.5 Ų45.53%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-134.8130.8-178.9-71163.4000108.1F7 F8 I94 Y98 R113 Q114 D115F7-I96 CarbonylContact C-O 3.58Å; F7-I96 VanDerWaalsContact CA-O 3.31Å; F7-I96 WeakPolarHBondContact CA-O 3.01Å; F8-I96 HydrophobicContact CB-CB 4.2Å; F8-I96 HydrophobicContact CD2-CD1 4.44Å; F8-I96 HydrophobicContact CD2-CG2 4.32Å; F8-I96 PolarHBondContact N-O 3.18Å; F8-I96 PolarHBondContact O-N 2.79Å; I94-I96 HydrophobicContact CG2-CD1 4.06Å; I94-I96 HydrophobicContact CG2-CG1 3.99Å; I96-Y98 HydrophobicContact CG2-CD1 4Å; I96-R113 VanDerWaalsContact CG2-NH1 3.28Å; I96-Q114 WeakPolarHBondContact CA-O 3.37Å; I96-D115 HydrophobicContact CG1-CB 4.47Å
97M98.6Very high96.7Very high25 Ų2550.6 Ų50.612%0.12328%0.278CS..EExtended strand (participates in β ladder)trans-120.7133.5166.2-173.8-81.1-68.400109.4Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.38Å; F7-M97 HydrophobicContact CD1-CB 3.99Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.17Å; F7-M97 HydrophobicContact CE1-CG 3.41Å; F7-M97 VanDerWaalsContact CE1-CG 3.41Å; F7-M97 HydrophobicContact CZ-CG 4.11Å; M97-Y112 HydrophobicContact CE-CD1 4.07Å; M97-Y112 HydrophobicContact CE-CG 4.23Å; M97-R113 CarbonylContact O-C 3.49Å; M97-R113 WeakPolarHBondContact O-CA 3.48Å; M97-Q114 HydrophobicContact CE-CB 4.46Å; M97-Q114 HydrophobicContact CE-CG 4.37Å; M97-Q114 PolarHBondContact N-O 3.37Å; M97-Q114 PolarHBondContact O-N 3.23Å
98Y98.6Very high96.9Very high17 Ų1749.7 Ų49.77%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-148.2158.3166.669.5-90.2000111.3Y6 F8 I96 Y112 Y158Y6-Y98 VanDerWaalsContact CB-CZ 3.5Å; Y6-Y98 HydrophobicContact CD2-CD2 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.63Å; Y6-Y98 HydrophobicContact CD2-CE2 3.63Å; Y6-Y98 AromaticContact CD2-CZ 3.91Å; Y6-Y98 HydrophobicContact CE2-CE2 4.44Å; Y6-Y98 HydrophobicContact CG-CE1 4.46Å; Y6-Y98 AromaticContact CG-CE2 3.99Å; Y6-Y98 HydrophobicContact CG-CE2 3.99Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 2.91Å; Y6-Y98 PolarHBondContact O-N 3.46Å; F8-Y98 HydrophobicContact CD2-CE1 4.46Å; F8-Y98 HydrophobicContact CE1-CE1 4.04Å; F8-Y98 AromaticContact CE2-CE1 3.76Å; F8-Y98 HydrophobicContact CE2-CE1 3.76Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.35Å; I96-Y98 HydrophobicContact CG2-CD1 4Å; Y98-Y112 WeakPolarHBondContact CA-O 3.34Å; Y98-Y112 VanDerWaalsContact CB-O 3.25Å; Y98-Y112 WeakPolarHBondContact CB-O 3.37Å; Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å
99G98.5Very high97.2Very high0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans164.4-179.3-17700000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.31Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.46Å; G99-Y112 PolarHBondContact N-O 2.94Å; G99-Y112 VanDerWaalsContact N-O 3.11Å; G99-Y112 PolarHBondContact O-N 3.36Å; G99-L159 WeakPolarHBondContact O-CD2 3.17Å
100C98.7Very high97.4Very high0 Ų046.1 Ų46.10%024%0.243CC..EExtended strand (participates in β ladder)trans-137.9151.3-17756.60000111S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.14Å; M4-C100 PolarHBondContact N-O 2.99Å; M4-C100 PolarHBondContact O-N 2.94Å; C100-F108 HydrophobicContact CB-CD2 4.32Å; C100-F108 HydrophobicContact CB-CE2 4.01Å; C100-R110 WeakPolarHBondContact CA-O 3.48Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.24Å; C100-C163 PolarHBondContact N-SG 3.31Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.3Å
101D98.6Very high97.7Very high28 Ų2845.7 Ų45.715%0.1524%0.238CC..EExtended strand (participates in β ladder)trans-118.7143.1177.2-611.1000109.6H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; S3-D101 VanDerWaalsContact CB-OD1 3.23Å; S3-D101 WeakPolarHBondContact CB-OD1 3.41Å; R5-D101 IonicContact CZ-OD1 3.24Å; R5-D101 VanDerWaalsContact CZ-OD1 3.27Å; R5-D101 IonicContact CZ-OD2 2.81Å; R5-D101 IonicContact NE-OD1 3.64Å; R5-D101 PolarHBondContact NE-OD1 2.98Å; R5-D101 IonicContact NH2-OD1 2.75Å; R5-D101 PolarHBondContact NH2-OD1 2.91Å; R5-D101 IonicContact NH2-OD2 2.9Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; D101-L109 PolarHBondContact O-N 2.6Å; D101-R110 PolarHBondContact N-O 3.22Å; D101-R110 PolarHBondContact O-N 2.8Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 PolarHBondContact OD2-OH 3.11Å
102V98.4Very high97.7Very high1 Ų143.8 Ų43.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-128.5147.2-178.7-60.60000112.9S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CB-O 3.32Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 VanDerWaalsContact N-O 3.13Å; H2-V102 PolarHBondContact O-N 3.44Å; V102-R107 CarbonylContact C-O 3.6Å; V102-R107 WeakPolarHBondContact CA-O 3.41Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; V102-V164 HydrophobicContact CG1-CG1 4.06Å; V102-V164 HydrophobicContact CG1-CG2 4.12Å; V102-L167 HydrophobicContact CB-CD2 4.4Å; V102-L167 HydrophobicContact CG1-CD2 3.98Å; V102-L167 HydrophobicContact CG2-CD2 3.66Å; V102-L167 HydrophobicContact CG2-CG 4.22Å; V102-L171 HydrophobicContact CG2-CD1 4.49Å
103G97.3Very high97.7Very high4 Ų443.5 Ų43.54%0.04122%0.217CC..  trans-71.1173.5176.200000112.9D105 G106 R107G103-D105 PolarHBondContact O-N 3.29Å; G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 3.14Å; G103-R107 PolarHBondContact N-O 3.31Å
104P94.3Very high97.7Very high128 Ų12845.8 Ų45.883%0.83123%0.226SC*.THydrogen-bonded Turntrans-60.1-20.9172.8-22.534.5000113.9G106P104-G106 VanDerWaalsContact C-N 3.28Å
105D94.6Very high97.7Very high89 Ų8946.2 Ų46.248%0.47623%0.228SC..THydrogen-bonded Turntrans-87.67.8172.270.6-13.5000113.3G103 R107G103-D105 PolarHBondContact O-N 3.29Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.04Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.33Å; D105-R107 IonicContact OD2-CZ 3.49Å; D105-R107 VanDerWaalsContact OD2-CZ 3.29Å; D105-R107 IonicContact OD2-NE 3.73Å; D105-R107 PolarHBondContact OD2-NE 2.85Å; D105-R107 VanDerWaalsContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 3.38Å; D105-R107 PolarHBondContact OD2-NH1 3.35Å
106G94.4Very high97.7Very high17 Ų1743.3 Ų43.318%0.17522%0.218CC..SBendtrans6712.7-178.300000114.6G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 3.14Å; P104-G106 VanDerWaalsContact C-N 3.28Å; G106-R168 VanDerWaalsContact O-CZ 3.27Å; G106-R168 PolarHBondContact O-NE 2.94Å; G106-R168 PolarHBondContact O-NH2 3.23Å
107R97.1Very high97.7Very high168 Ų16843.5 Ų43.563%0.63422%0.218SC*.  trans-83148.9176-64.8-175.7-167.4152.82.7111.5V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.6Å; V102-R107 WeakPolarHBondContact CA-O 3.41Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; G103-R107 PolarHBondContact N-O 3.31Å; D105-R107 PolarHBondContact O-N 2.91Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.04Å; D105-R107 WeakPolarHBondContact OD2-CD 3.45Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.33Å; D105-R107 IonicContact OD2-CZ 3.49Å; D105-R107 VanDerWaalsContact OD2-CZ 3.29Å; D105-R107 IonicContact OD2-NE 3.73Å; D105-R107 PolarHBondContact OD2-NE 2.85Å; D105-R107 VanDerWaalsContact OD2-NE 3.12Å; D105-R107 IonicContact OD2-NH1 3.38Å; D105-R107 PolarHBondContact OD2-NH1 3.35Å; R107-L109 PolarHBondContact O-N 2.86Å
108F98.4Very high97.7Very high57 Ų5745.2 Ų45.225%0.2523%0.228CC..EExtended strand (participates in β ladder)trans-56.4128.1174.3-176.4-103.3000111.4C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.32Å; C100-F108 HydrophobicContact CB-CE2 4.01Å; F108-R110 VanDerWaalsContact CE2-C 3.47Å; F108-R110 VanDerWaalsContact CE2-O 3.26Å; F108-R110 WeakPolarHBondContact CE2-O 3.35Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å; F108-L129 HydrophobicContact CE1-CD1 3.85Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; F108-L159 HydrophobicContact CE2-CB 4.45Å; F108-L159 VanDerWaalsContact CE2-O 3.32Å; F108-L159 WeakPolarHBondContact CE2-O 3.45Å; F108-E160 HydrophobicContact CD1-CG 4.22Å; F108-E160 HydrophobicContact CE1-CG 3.95Å; F108-E160 HydrophobicContact CE2-CG 4.44Å; F108-E160 HydrophobicContact CZ-CG 4.04Å; F108-V164 HydrophobicContact CB-CG2 3.98Å; F108-V164 HydrophobicContact CD2-CG2 3.57Å; F108-V164 HydrophobicContact CG-CG2 4.25Å
109L97.8Very high97.6Very high112 Ų11247.1 Ų47.159%0.58625%0.253SS*.EExtended strand (participates in β ladder)trans-105.7-47.9171.2-63.9178.9000111.4D101 R107D101-L109 PolarHBondContact O-N 2.6Å; R107-L109 PolarHBondContact O-N 2.86Å
110R97.6Very high97.6Very high85 Ų8554.8 Ų54.832%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-155.8148.9-169.4-170.8164.8169.7132.63.9111.5C100 D101 F108 Y112 E127C100-R110 WeakPolarHBondContact CA-O 3.48Å; D101-R110 PolarHBondContact N-O 3.22Å; D101-R110 PolarHBondContact O-N 2.8Å; F108-R110 VanDerWaalsContact CE2-C 3.47Å; F108-R110 VanDerWaalsContact CE2-O 3.26Å; F108-R110 WeakPolarHBondContact CE2-O 3.35Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.22Å; R110-Y112 HydrophobicContact CG-CD2 4.44Å; R110-Y112 HydrophobicContact CG-CE1 4.48Å; R110-Y112 HydrophobicContact CG-CE2 3.75Å; R110-Y112 PolarHBondContact NE-OH 3.24Å; R110-E127 IonicContact CZ-OE1 2.68Å; R110-E127 IonicContact CZ-OE2 2.93Å; R110-E127 IonicContact NH1-OE1 2.91Å; R110-E127 PolarHBondContact NH1-OE1 3.48Å; R110-E127 IonicContact NH1-OE2 3.21Å; R110-E127 PolarHBondContact NH1-OE2 2.95Å; R110-E127 IonicContact NH2-OE1 3.95Å; R110-E127 PolarHBondContact NH2-OE1 2.79Å; R110-E127 IonicContact NH2-OE2 2.72Å
111G98.1Very high97.6Very high6 Ų660.8 Ų60.86%0.06232%0.319CS..EExtended strand (participates in β ladder)trans-126151175.300000110.8G99 F108G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.46Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å
112Y98.1Very high97.6Very high41 Ų4160 Ų6016%0.16131%0.313CS..EExtended strand (participates in β ladder)trans-132.5139.1-175.3-59.8-98.2000110.4R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CE2 3.33Å; M97-Y112 HydrophobicContact CE-CD1 4.07Å; M97-Y112 HydrophobicContact CE-CG 4.23Å; Y98-Y112 WeakPolarHBondContact CA-O 3.34Å; Y98-Y112 VanDerWaalsContact CB-O 3.25Å; Y98-Y112 WeakPolarHBondContact CB-O 3.37Å; G99-Y112 PolarHBondContact N-O 2.94Å; G99-Y112 VanDerWaalsContact N-O 3.11Å; G99-Y112 PolarHBondContact O-N 3.36Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 PolarHBondContact OD2-OH 3.11Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 VanDerWaalsContact CD-OH 3.24Å; R110-Y112 WeakPolarHBondContact CD-OH 3.22Å; R110-Y112 HydrophobicContact CG-CD2 4.44Å; R110-Y112 HydrophobicContact CG-CE1 4.48Å; R110-Y112 HydrophobicContact CG-CE2 3.75Å; R110-Y112 PolarHBondContact NE-OH 3.24Å
113R98.2Very high97.6Very high9 Ų960.1 Ų60.13%0.03431%0.314CS..EExtended strand (participates in β ladder)trans-149.2115.6159.717362.3-172.1-153.89107.8I96 M97 D115 L125 W132I96-R113 VanDerWaalsContact CG2-NH1 3.28Å; M97-R113 CarbonylContact O-C 3.49Å; M97-R113 WeakPolarHBondContact O-CA 3.48Å; R113-D115 IonicContact CZ-OD1 2.79Å; R113-D115 VanDerWaalsContact CZ-OD1 3.31Å; R113-D115 IonicContact CZ-OD2 2.97Å; R113-D115 IonicContact NE-OD1 3.87Å; R113-D115 PolarHBondContact NE-OD1 2.95Å; R113-D115 IonicContact NE-OD2 3.14Å; R113-D115 VanDerWaalsContact NH2-CG 3.33Å; R113-D115 IonicContact NH2-OD1 3.34Å; R113-D115 PolarHBondContact NH2-OD1 3.12Å; R113-D115 IonicContact NH2-OD2 3.27Å; R113-D115 PolarHBondContact NH2-OD2 2.97Å; R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 2.83Å; R113-W132 HydrophobicContact CG-CH2 4.17Å; R113-W132 HydrophobicContact CG-CZ3 4.13Å
114Q98.3Very high97.7Very high82 Ų8261.1 Ų61.138%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-135.9131.8-177.7-68175.1-21.800108.7I96 M97 A124I96-Q114 WeakPolarHBondContact CA-O 3.37Å; M97-Q114 HydrophobicContact CE-CB 4.46Å; M97-Q114 HydrophobicContact CE-CG 4.37Å; M97-Q114 PolarHBondContact N-O 3.37Å; M97-Q114 PolarHBondContact O-N 3.23Å; Q114-A124 HydrophobicContact CG-CB 3.96Å
115D98.6Very high97.9Very high15 Ų1555.7 Ų55.78%0.0829%0.286CS..EExtended strand (participates in β ladder)trans-123135.7-179.8-62.246.1000107.7Q95 I96 R113 Y122 I123Q95-D115 WeakPolarHBondContact O-CA 3.45Å; I96-D115 HydrophobicContact CG1-CB 4.47Å; R113-D115 IonicContact CZ-OD1 2.79Å; R113-D115 VanDerWaalsContact CZ-OD1 3.31Å; R113-D115 IonicContact CZ-OD2 2.97Å; R113-D115 IonicContact NE-OD1 3.87Å; R113-D115 PolarHBondContact NE-OD1 2.95Å; R113-D115 IonicContact NE-OD2 3.14Å; R113-D115 VanDerWaalsContact NH2-CG 3.33Å; R113-D115 IonicContact NH2-OD1 3.34Å; R113-D115 PolarHBondContact NH2-OD1 3.12Å; R113-D115 IonicContact NH2-OD2 3.27Å; R113-D115 PolarHBondContact NH2-OD2 2.97Å; D115-Y122 WeakPolarHBondContact O-CA 3.36Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.38Å; D115-Y122 PolarHBondContact O-N 3.14Å; D115-I123 HydrophobicContact CB-CG2 3.98Å; D115-I123 PolarHBondContact N-O 3.5Å; D115-I123 PolarHBondContact O-N 3.28Å
116A98.8Very high98.1Very high20 Ų2053.6 Ų53.617%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-130.5150.4-177.300000110.7I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.42Å; Q95-A116 PolarHBondContact O-N 2.81Å; A116-K120 CarbonylContact C-O 3.5Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 WeakPolarHBondContact CB-O 3.22Å
117Y98.7Very high98.3Very high10 Ų1059.4 Ų59.44%0.03930%0.297CS..EExtended strand (participates in β ladder)trans-132.3132.1-179-171.2-123.1000111.1L77 L80 R81 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.3Å; L80-Y117 HydrophobicContact CB-CD1 4.31Å; L80-Y117 HydrophobicContact CB-CD2 4.22Å; L80-Y117 HydrophobicContact CB-CE1 3.9Å; L80-Y117 HydrophobicContact CB-CE2 3.82Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD1 4.41Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.78Å; L80-Y117 HydrophobicContact CG-CD2 4.47Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; R81-Y117 PolarHBondContact N-OH 2.82Å; Y84-Y117 AromaticContact CD2-CD1 3.71Å; Y84-Y117 HydrophobicContact CD2-CD1 3.71Å; Y84-Y117 AromaticContact CD2-CE1 3.45Å; Y84-Y117 HydrophobicContact CD2-CE1 3.45Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.45Å; Y84-Y117 AromaticContact CE2-CD1 3.42Å; Y84-Y117 HydrophobicContact CE2-CD1 3.42Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.42Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.42Å; Q86-Y117 PolarHBondContact OE1-OH 3.01Å; H92-Y117 HydrophobicContact CB-CE2 3.95Å; H92-Y117 PolarHBondContact ND1-OH 3.48Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.31Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å; Y117-G119 PolarHBondContact O-N 3.02Å; Y117-G119 VanDerWaalsContact O-N 3.12Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 3.48Å
118D98.3Very high98.3Very high60 Ų6054.9 Ų54.932%0.32129%0.285SS..THydrogen-bonded Turntrans46.241-176.4-65.8-18.2000113.4Q86 H92 T93Q86-D118 PolarHBondContact NE2-OD2 3.29Å; Q86-D118 VanDerWaalsContact NE2-OD2 3.14Å; H92-D118 WeakPolarHBondContact CA-OD1 3.48Å; H92-D118 WeakPolarHBondContact CB-OD1 3.41Å; H92-D118 IonicContact CE1-OD2 3.71Å; H92-D118 IonicContact CG-OD1 3.19Å; H92-D118 IonicContact CG-OD2 2.97Å; H92-D118 IonicContact ND1-OD1 3.31Å; H92-D118 PolarHBondContact ND1-OD1 2.86Å; H92-D118 IonicContact ND1-OD2 3.98Å; H92-D118 PolarHBondContact ND1-OD2 3.06Å; T93-D118 PolarHBondContact N-OD1 3.24Å; T93-D118 PolarHBondContact O-N 3.39Å
119G97.5Very high98.2Very high58 Ų5852.4 Ų52.460%0.59828%0.275SS*.THydrogen-bonded Turntrans78.412.3178.700000115.8Y117Y117-G119 PolarHBondContact O-N 3.02Å; Y117-G119 VanDerWaalsContact O-N 3.12Å
120K98.4Very high98.2Very high160 Ų16055 Ų5570%0.69628%0.277SS*.EExtended strand (participates in β ladder)trans-123.1148.4179.1-61.8173.9-176.1172.10111.2A116 Y117 Y122A116-K120 CarbonylContact C-O 3.5Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 WeakPolarHBondContact CB-O 3.22Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 3.48Å; K120-Y122 PolarHBondContact O-N 2.74Å
121D98.7Very high98.2Very high127 Ų12752.7 Ų52.768%0.67927%0.274SS*.EExtended strand (participates in β ladder)trans-54.2135.4173-66.2-39.2000111.2A135D121-A135 HydrophobicContact CB-CB 4.37Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å
122Y98.8Very high98.3Very high11 Ų1152.6 Ų52.64%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-114.8-63.8177.5-180-108.5000110.4L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.5Å; L80-Y122 HydrophobicContact CD2-CD2 4.46Å; L80-Y122 HydrophobicContact CD2-CE1 3.75Å; L80-Y122 HydrophobicContact CD2-CE2 3.7Å; L80-Y122 VanDerWaalsContact CD2-OH 3.31Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.13Å; Y84-Y122 HydrophobicContact CE2-CD2 4.4Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.26Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.1Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; D115-Y122 WeakPolarHBondContact O-CA 3.36Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.38Å; D115-Y122 PolarHBondContact O-N 3.14Å; K120-Y122 PolarHBondContact O-N 2.74Å; Y122-A135 PolarHBondContact O-N 2.73Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 2.67Å; Y122-A138 VanDerWaalsContact OH-O 3.11Å; Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 VanDerWaalsContact CE2-CA 3.47Å; Y122-A139 HydrophobicContact CE2-CB 3.67Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.37Å; Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.44Å; Y122-T142 PolarHBondContact OH-OG1 3.13Å
123I98.8Very high98.3Very high4 Ų454.4 Ų54.42%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-146139.7177.5-162.7175.2000111.7D115 W132 T133 A134 T142 K143 W146D115-I123 HydrophobicContact CB-CG2 3.98Å; D115-I123 PolarHBondContact N-O 3.5Å; D115-I123 PolarHBondContact O-N 3.28Å; I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.23Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; I123-T133 CarbonylContact C-O 3.57Å; I123-T133 WeakPolarHBondContact CA-O 3.21Å; I123-T133 VanDerWaalsContact CG1-O 3.31Å; I123-T133 WeakPolarHBondContact CG1-O 3.27Å; I123-A134 HydrophobicContact CG1-CB 4.35Å; I123-T142 HydrophobicContact CD1-CG2 4.16Å; I123-T142 HydrophobicContact CG2-CG2 4.49Å; I123-K143 HydrophobicContact CD1-CB 3.83Å; I123-W146 HydrophobicContact CD1-CE3 4.01Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CE3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 3.97Å; I123-W146 HydrophobicContact CG2-CZ3 3.64Å
124A98.8Very high98.3Very high25 Ų2554.7 Ų54.721%0.20729%0.291CS..EExtended strand (participates in β ladder)trans-128.8139.1-179.500000111.3Q114 W132 T133Q114-A124 HydrophobicContact CG-CB 3.96Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.29Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 3.1Å
125L98.8Very high98.3Very high13 Ų1353.9 Ų53.97%0.06830%0.299CS..EExtended strand (participates in β ladder)trans-74.6129.6166-175.165000108.3R113 L129 W132 A152 R155 L159R113-L125 HydrophobicContact CB-CB 3.89Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 2.83Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.48Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-A152 HydrophobicContact CD1-CB 3.93Å; L125-R155 HydrophobicContact CD2-CB 4.1Å; L125-L159 HydrophobicContact CD2-CD1 3.88Å
126N98.5Very high98.3Very high46 Ų4656 Ų5625%0.24631%0.31CS..  trans-75.6165.6179.4-66.8-24.9000111.5D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.04Å; N126-D128 VanDerWaalsContact O-N 3.09Å; N126-L129 PolarHBondContact O-N 2.86Å; N126-S131 WeakPolarHBondContact CB-O 3.21Å; N126-S131 PolarHBondContact N-O 2.93Å; N126-S131 PolarHBondContact ND2-OG 2.99Å; N126-T133 PolarHBondContact ND2-OG1 2.75Å; N126-T133 WeakPolarHBondContact OD1-CB 3.49Å; N126-T133 PolarHBondContact OD1-OG1 3.25Å
127E97.5Very high98.3Very high138 Ų13862 Ų6265%0.64534%0.337SS*.THydrogen-bonded Turntrans-63-18.1-177.1-50.6-169.5-17700113.5R110 L129R110-E127 IonicContact CZ-OE1 2.68Å; R110-E127 IonicContact CZ-OE2 2.93Å; R110-E127 IonicContact NH1-OE1 2.91Å; R110-E127 PolarHBondContact NH1-OE1 3.48Å; R110-E127 IonicContact NH1-OE2 3.21Å; R110-E127 PolarHBondContact NH1-OE2 2.95Å; R110-E127 IonicContact NH2-OE1 3.95Å; R110-E127 PolarHBondContact NH2-OE1 2.79Å; R110-E127 IonicContact NH2-OE2 2.72Å; E127-L129 PolarHBondContact O-N 2.89Å
128D97.3Very high98.2Very high73 Ų7362 Ų6239%0.3934%0.339SS..THydrogen-bonded Turntrans-72.8-10.7173700.3000114N126 R130 S131N126-D128 PolarHBondContact O-N 3.04Å; N126-D128 VanDerWaalsContact O-N 3.09Å; D128-R130 HydrophobicContact CB-CB 4.46Å; D128-R130 WeakPolarHBondContact O-CD 3.26Å; D128-R130 VanDerWaalsContact O-CG 3.3Å; D128-R130 WeakPolarHBondContact O-CG 3.38Å; D128-R130 PolarHBondContact O-N 3.19Å; D128-R130 PolarHBondContact OD1-N 3.24Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 3.34Å; D128-S131 PolarHBondContact OD1-OG 2.81Å; D128-S131 WeakPolarHBondContact OD2-CB 3.16Å; D128-S131 PolarHBondContact OD2-N 3.14Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
129L98Very high98.3Very high6 Ų659.1 Ų59.13%0.03132%0.323CS..SBendtrans53.228.4-173.9-51.1175.8000113.7F108 L125 N126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.85Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; L125-L129 HydrophobicContact CD2-CD2 3.81Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; N126-L129 PolarHBondContact O-N 2.86Å; E127-L129 PolarHBondContact O-N 2.89Å; L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.76Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 4.08Å; L129-E160 HydrophobicContact CD1-CG 4.04Å
130R97.5Very high98.3Very high166 Ų16659 Ų5963%0.62631%0.307SS*.SBendtrans-133.8-35.9-173.5-70.4162.3-177.6-89.47.2112.7D128 A152D128-R130 HydrophobicContact CB-CB 4.46Å; D128-R130 WeakPolarHBondContact O-CD 3.26Å; D128-R130 VanDerWaalsContact O-CG 3.3Å; D128-R130 WeakPolarHBondContact O-CG 3.38Å; D128-R130 PolarHBondContact O-N 3.19Å; D128-R130 PolarHBondContact OD1-N 3.24Å; R130-A152 VanDerWaalsContact O-CB 3.3Å; R130-A152 WeakPolarHBondContact O-CB 3.25Å
131S97.8Very high98.3Very high37 Ų3754.3 Ų54.326%0.25929%0.289SS..  trans-113.6158.8-176.965.90000112.5N126 D128N126-S131 WeakPolarHBondContact CB-O 3.21Å; N126-S131 PolarHBondContact N-O 2.93Å; N126-S131 PolarHBondContact ND2-OG 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 3.34Å; D128-S131 PolarHBondContact OD1-OG 2.81Å; D128-S131 WeakPolarHBondContact OD2-CB 3.16Å; D128-S131 PolarHBondContact OD2-N 3.14Å; D128-S131 PolarHBondContact OD2-OG 2.82Å
132W98.7Very high98.3Very high3 Ų349 Ų491%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-116.9137.7-178.3-60.693.8000111.6R113 I123 A124 L125 K143 W146 A151 A152 R155R113-W132 HydrophobicContact CG-CH2 4.17Å; R113-W132 HydrophobicContact CG-CZ3 4.13Å; I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.23Å; I123-W132 HydrophobicContact CD1-CG 4.35Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.11Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.29Å; L125-W132 HydrophobicContact CB-CE3 3.95Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.9Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.48Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; W132-K143 HydrophobicContact CB-CD 4.2Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 VanDerWaalsContact O-CE 3.26Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 3.22Å; W132-W146 AromaticContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CZ3 4.49Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.53Å; W132-W146 HydrophobicContact CH2-CE3 3.53Å; W132-W146 AromaticContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CH2-CZ3 3.55Å; W132-W146 AromaticContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CZ3 4.15Å; W132-W146 AromaticContact CZ3-CE3 3.63Å; W132-W146 HydrophobicContact CZ3-CE3 3.63Å; W132-W146 AromaticContact CZ3-CZ3 3.4Å; W132-W146 HydrophobicContact CZ3-CZ3 3.4Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.4Å; W132-A151 HydrophobicContact CZ2-CB 4.38Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; W132-R155 HydrophobicContact CH2-CG 4.29Å
133T98.7Very high98.3Very high79 Ų7950.5 Ų50.549%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-99.2130165.1-66.50000108.9I123 A124 N126I123-T133 CarbonylContact C-O 3.57Å; I123-T133 WeakPolarHBondContact CA-O 3.21Å; I123-T133 VanDerWaalsContact CG1-O 3.31Å; I123-T133 WeakPolarHBondContact CG1-O 3.27Å; A124-T133 PolarHBondContact N-O 2.9Å; A124-T133 PolarHBondContact O-N 3.1Å; N126-T133 PolarHBondContact ND2-OG1 2.75Å; N126-T133 WeakPolarHBondContact OD1-CB 3.49Å; N126-T133 PolarHBondContact OD1-OG1 3.25Å
134A98.7Very high98.3Very high15 Ų1557.5 Ų57.512%0.12429%0.294CS..EExtended strand (participates in β ladder)trans-120.7127-177.300000108.9I123 A139 Q140 K143I123-A134 HydrophobicContact CG1-CB 4.35Å; A134-A139 HydrophobicContact CB-CB 3.66Å; A134-Q140 HydrophobicContact CB-CG 4.42Å; A134-K143 HydrophobicContact CB-CB 4.2Å; A134-K143 HydrophobicContact CB-CD 4.18Å
135A98.5Very high98.2Very high66 Ų6661.9 Ų61.955%0.54531%0.308SS..SBendtrans-71.4-33.4-169.200000113.7D121 Y122D121-A135 HydrophobicContact CB-CB 4.37Å; D121-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 PolarHBondContact O-N 2.73Å
136D98.1Very high98.2Very high58 Ų5864 Ų6431%0.3132%0.316SS..SBendtrans-145.3-176.5-177.27129.7000113.7Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D136 VanDerWaalsContact OH-CG 3.29Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.37Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3Å; D136-A138 WeakPolarHBondContact OD1-CA 3.24Å; D136-A138 WeakPolarHBondContact OD1-CB 3.24Å; D136-A138 PolarHBondContact OD1-N 3.01Å; D136-A139 WeakPolarHBondContact O-CB 3.47Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 2.64Å
137M97.9Very high98.2Very high147 Ų14765.8 Ų65.872%0.72432%0.322SS*.THydrogen-bonded Turntrans-66.6-24.1-178.5-69-61.7-67.900114.8
138A97.9Very high98.3Very high10 Ų1063 Ų638%0.08332%0.322CS..THydrogen-bonded Turntrans-78.1-40.3172.500000110.5Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.31Å; Y84-A138 HydrophobicContact CD1-CB 4.24Å; Y84-A138 HydrophobicContact CE1-CB 3.71Å; Y84-A138 HydrophobicContact CE2-CB 4Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 2.67Å; Y122-A138 VanDerWaalsContact OH-O 3.11Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3Å; D136-A138 WeakPolarHBondContact OD1-CA 3.24Å; D136-A138 WeakPolarHBondContact OD1-CB 3.24Å; D136-A138 PolarHBondContact OD1-N 3.01Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.01Å; A138-I141 VanDerWaalsContact O-CB 3.29Å; A138-I141 WeakPolarHBondContact O-CB 3.41Å; A138-I141 PolarHBondContact O-N 3.35Å
139A98.5Very high98.3Very high0 Ų063.9 Ų63.90%033%0.33CS..Hα-helixtrans-61.1-34172.700000112.8Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.48Å; Y122-A139 VanDerWaalsContact CE2-CA 3.47Å; Y122-A139 HydrophobicContact CE2-CB 3.67Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.37Å; A134-A139 HydrophobicContact CB-CB 3.66Å; D136-A139 WeakPolarHBondContact O-CB 3.47Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 3.24Å; A139-I141 PolarHBondContact O-N 2.7Å; A139-T142 PolarHBondContact O-N 2.8Å; A139-T142 VanDerWaalsContact O-N 3.13Å; A139-K143 WeakPolarHBondContact O-CB 3.17Å; A139-K143 PolarHBondContact O-N 3.38Å
140Q98.6Very high98.2Very high56 Ų5669 Ų6926%0.26235%0.354SS..Hα-helixtrans-59.2-26.5171.6-67-69.4-21.400113A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.42Å; D136-Q140 WeakPolarHBondContact O-CG 3.45Å; D136-Q140 PolarHBondContact O-N 2.64Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.01Å; Q140-R144 WeakPolarHBondContact O-CD 3.29Å; Q140-R144 VanDerWaalsContact O-CG 3.26Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 2.94Å
141I98.4Very high98.2Very high60 Ų6061.7 Ų61.731%0.30833%0.329SS..Hα-helixtrans-71.2-45174.9-51.4173.6000110.2Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.07Å; Y83-I141 HydrophobicContact CD2-CD1 4.39Å; Y83-I141 HydrophobicContact CE1-CD1 4.3Å; Y83-I141 HydrophobicContact CE1-CG2 4.02Å; Y83-I141 HydrophobicContact CE2-CB 4.08Å; Y83-I141 HydrophobicContact CE2-CG2 4.18Å; Y83-I141 HydrophobicContact CG-CD1 4.12Å; A138-I141 VanDerWaalsContact O-CB 3.29Å; A138-I141 WeakPolarHBondContact O-CB 3.41Å; A138-I141 PolarHBondContact O-N 3.35Å; A139-I141 PolarHBondContact O-N 2.7Å; I141-K145 WeakPolarHBondContact O-CG 3.12Å; I141-K145 PolarHBondContact O-N 3.11Å
142T98.4Very high98.2Very high15 Ų1560.2 Ų60.29%0.09232%0.319CS..Hα-helixtrans-65.3-43.5175.3-68.10000111.4Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.14Å; Y122-T142 WeakPolarHBondContact OH-CB 3.44Å; Y122-T142 PolarHBondContact OH-OG1 3.13Å; I123-T142 HydrophobicContact CD1-CG2 4.16Å; I123-T142 HydrophobicContact CG2-CG2 4.49Å; A139-T142 PolarHBondContact O-N 2.8Å; A139-T142 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.14Å; T142-W146 HydrophobicContact CG2-CD2 3.79Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.18Å; T142-W146 HydrophobicContact CG2-CH2 4.36Å; T142-W146 HydrophobicContact CG2-CZ2 3.92Å; T142-W146 WeakPolarHBondContact O-CB 3.3Å; T142-W146 PolarHBondContact O-N 3.13Å
143K98.7Very high98.2Very high44 Ų4465.5 Ų65.519%0.19134%0.344CS..Hα-helixtrans-51.4-55.3175.4174.9167.9177.9172.40111.9I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.83Å; W132-K143 HydrophobicContact CB-CD 4.2Å; W132-K143 HydrophobicContact CB-CG 4.14Å; W132-K143 VanDerWaalsContact O-CE 3.26Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 3.22Å; A134-K143 HydrophobicContact CB-CB 4.2Å; A134-K143 HydrophobicContact CB-CD 4.18Å; A139-K143 WeakPolarHBondContact O-CB 3.17Å; A139-K143 PolarHBondContact O-N 3.38Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.96Å; K143-W146 PolarHBondContact O-N 3.23Å; K143-W146 VanDerWaalsContact O-N 3.1Å; K143-E147 VanDerWaalsContact CE-CD 3.44Å; K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 WeakPolarHBondContact CG-OE2 3.44Å; K143-E147 IonicContact NZ-OE1 2.73Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.31Å; K143-E147 PolarHBondContact O-N 2.83Å
144R98.6Very high98Very high151 Ų15168.7 Ų68.757%0.5735%0.354SS*.Hα-helixtrans-58.9-39.7178.9-68.1166.5-167.2161.75.6112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CD 3.29Å; Q140-R144 VanDerWaalsContact O-CG 3.26Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 2.94Å; T142-R144 PolarHBondContact O-N 2.85Å; R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.96Å
145K98.1Very high97.9Very high116 Ų11671.6 Ų71.650%0.50436%0.361SS..Hα-helixtrans-65.2-39.7175.9-74.7177.4174.7-178.10112.2Y83 I141 T142 K143 V149Y83-K145 PolarHBondContact OH-NZ 3.15Å; I141-K145 WeakPolarHBondContact O-CG 3.12Å; I141-K145 PolarHBondContact O-N 3.11Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 2.96Å; K145-V149 WeakPolarHBondContact O-CG2 3.03Å
146W98.2Very high97.9Very high59 Ų5972.1 Ų72.122%0.22335%0.349CS..Hα-helixtrans-75.9-35.6-179.8-77.38.3000113I123 W132 T142 K143 V149 H150 A151I123-W146 HydrophobicContact CD1-CE3 4.01Å; I123-W146 HydrophobicContact CD1-CZ3 4.27Å; I123-W146 HydrophobicContact CG2-CE3 4.4Å; I123-W146 HydrophobicContact CG2-CH2 3.97Å; I123-W146 HydrophobicContact CG2-CZ3 3.64Å; W132-W146 AromaticContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CE3 3.95Å; W132-W146 HydrophobicContact CD2-CZ3 4.49Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.82Å; W132-W146 HydrophobicContact CE3-CE3 3.82Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.53Å; W132-W146 HydrophobicContact CH2-CE3 3.53Å; W132-W146 AromaticContact CH2-CZ3 3.55Å; W132-W146 HydrophobicContact CH2-CZ3 3.55Å; W132-W146 AromaticContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CE3 3.63Å; W132-W146 HydrophobicContact CZ2-CZ3 4.15Å; W132-W146 AromaticContact CZ3-CE3 3.63Å; W132-W146 HydrophobicContact CZ3-CE3 3.63Å; W132-W146 AromaticContact CZ3-CZ3 3.4Å; W132-W146 HydrophobicContact CZ3-CZ3 3.4Å; W132-W146 VanDerWaalsContact CZ3-CZ3 3.4Å; T142-W146 HydrophobicContact CG2-CD2 3.79Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.18Å; T142-W146 HydrophobicContact CG2-CH2 4.36Å; T142-W146 HydrophobicContact CG2-CZ2 3.92Å; T142-W146 WeakPolarHBondContact O-CB 3.3Å; T142-W146 PolarHBondContact O-N 3.13Å; K143-W146 PolarHBondContact O-N 3.23Å; K143-W146 VanDerWaalsContact O-N 3.1Å; W146-V149 PolarHBondContact O-N 2.75Å; W146-H150 PolarHBondContact O-N 2.86Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CG-CB 4.1Å; W146-A151 WeakPolarHBondContact O-CB 3.31Å; W146-A151 PolarHBondContact O-N 3.04Å
147E98.4Very high97.9Very high83 Ų8374.6 Ų74.639%0.38837%0.366SS..Hα-helixtrans-65-45.5171.8-71.3172.5148.600111K143 V149 H150K143-E147 VanDerWaalsContact CE-CD 3.44Å; K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.31Å; K143-E147 WeakPolarHBondContact CG-OE2 3.44Å; K143-E147 IonicContact NZ-OE1 2.73Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.31Å; K143-E147 PolarHBondContact O-N 2.83Å; E147-V149 PolarHBondContact O-N 3.23Å; E147-V149 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 2.83Å
148A98.3Very high97.9Very high78 Ų7869.4 Ų69.465%0.64534%0.339SS*.THydrogen-bonded Turntrans-64.3-12.3178.600000115.2R144R144-A148 VanDerWaalsContact O-CB 3.27Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 2.96Å
149V97.8Very high97.9Very high92 Ų9269 Ų6956%0.55834%0.335SS*.THydrogen-bonded Turntrans-119.715174.7-53.70000113K145 W146 E147 A151K145-V149 WeakPolarHBondContact O-CG2 3.03Å; W146-V149 PolarHBondContact O-N 2.75Å; E147-V149 PolarHBondContact O-N 3.23Å; E147-V149 VanDerWaalsContact O-N 3.08Å; V149-A151 HydrophobicContact CG2-CB 4.18Å; V149-A151 PolarHBondContact O-N 2.68Å
150H96.9Very high97.9Very high113 Ų11372.5 Ų72.552%0.52335%0.352SS..THydrogen-bonded Turntrans54.833.4177.7-63.7-105.1000114W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.86Å; E147-H150 PolarHBondContact O-N 2.83Å; H150-A152 PolarHBondContact O-N 3.2Å; H150-A152 VanDerWaalsContact O-N 3.07Å; H150-E153 HydrophobicContact CB-CG 4.34Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 2.87Å; H150-E153 IonicContact ND1-OE1 3.24Å; H150-E153 PolarHBondContact ND1-OE1 2.79Å; H150-E153 WeakPolarHBondContact O-CB 3.37Å; H150-E153 PolarHBondContact O-N 3.03Å
151A97.4Very high97.9Very high13 Ų1370.9 Ų70.911%0.10735%0.35CS..Hα-helixtrans-59.6-27.3-172.400000113.8W132 W146 V149 E153 Q154 R155W132-A151 HydrophobicContact CZ2-CB 4.38Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CG-CB 4.1Å; W146-A151 WeakPolarHBondContact O-CB 3.31Å; W146-A151 PolarHBondContact O-N 3.04Å; V149-A151 HydrophobicContact CG2-CB 4.18Å; V149-A151 PolarHBondContact O-N 2.68Å; A151-E153 VanDerWaalsContact C-N 3.33Å; A151-E153 PolarHBondContact O-N 3.36Å; A151-Q154 PolarHBondContact O-N 2.99Å; A151-R155 WeakPolarHBondContact O-CG 3.45Å; A151-R155 PolarHBondContact O-N 2.86Å; A151-R155 VanDerWaalsContact O-N 3.14Å
152A98.1Very high97.8Very high6 Ų676.5 Ų76.55%0.0537%0.367CS..Hα-helixtrans-61.5-39.6174.600000112.1L125 R130 W132 H150 Q154 R155 R156L125-A152 HydrophobicContact CD1-CB 3.93Å; R130-A152 VanDerWaalsContact O-CB 3.3Å; R130-A152 WeakPolarHBondContact O-CB 3.25Å; W132-A152 HydrophobicContact CZ2-CB 4.26Å; H150-A152 PolarHBondContact O-N 3.2Å; H150-A152 VanDerWaalsContact O-N 3.07Å; A152-Q154 PolarHBondContact O-N 3.13Å; A152-R155 PolarHBondContact O-N 2.81Å; A152-R156 WeakPolarHBondContact O-CB 3.48Å; A152-R156 PolarHBondContact O-N 3.11Å
153E97.3Very high97.8Very high115 Ų11575.8 Ų75.854%0.53736%0.363SS..Hα-helixtrans-65-42.4-179.6-60.8175.6-156.500111.2H150 A151 R155 R156 V157H150-E153 HydrophobicContact CB-CG 4.34Å; H150-E153 IonicContact CE1-OE1 2.74Å; H150-E153 IonicContact CG-OE1 2.87Å; H150-E153 IonicContact ND1-OE1 3.24Å; H150-E153 PolarHBondContact ND1-OE1 2.79Å; H150-E153 WeakPolarHBondContact O-CB 3.37Å; H150-E153 PolarHBondContact O-N 3.03Å; A151-E153 VanDerWaalsContact C-N 3.33Å; A151-E153 PolarHBondContact O-N 3.36Å; E153-R155 VanDerWaalsContact C-N 3.35Å; E153-R155 PolarHBondContact O-N 2.83Å; E153-R156 PolarHBondContact O-N 2.92Å; E153-V157 WeakPolarHBondContact O-CG2 3.32Å; E153-V157 PolarHBondContact O-N 2.85Å
154Q95.3Very high97.8Very high146 Ų14673.8 Ų73.868%0.68235%0.354SS*.Hα-helixtrans-63.5-39.2175.1-62-175100112.3A151 A152 Y158A151-Q154 PolarHBondContact O-N 2.99Å; A152-Q154 PolarHBondContact O-N 3.13Å; Q154-Y158 PolarHBondContact O-N 2.67Å
155R97.4Very high97.8Very high76 Ų7670.9 Ų70.929%0.28735%0.35SS..Hα-helixtrans-67.4-44.6174.7-66.7-65.9175.9-155.1-6111L125 W132 A151 A152 E153 V157 Y158 L159L125-R155 HydrophobicContact CD2-CB 4.1Å; W132-R155 HydrophobicContact CH2-CG 4.29Å; A151-R155 WeakPolarHBondContact O-CG 3.45Å; A151-R155 PolarHBondContact O-N 2.86Å; A151-R155 VanDerWaalsContact O-N 3.14Å; A152-R155 PolarHBondContact O-N 2.81Å; E153-R155 VanDerWaalsContact C-N 3.35Å; E153-R155 PolarHBondContact O-N 2.83Å; R155-V157 PolarHBondContact O-N 2.84Å; R155-Y158 WeakPolarHBondContact O-CB 3.43Å; R155-Y158 PolarHBondContact O-N 2.85Å; R155-Y158 VanDerWaalsContact O-N 3.13Å; R155-L159 WeakPolarHBondContact O-CB 3.42Å; R155-L159 VanDerWaalsContact O-CG 3.25Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.37Å
156R98.1Very high97.7Very high77 Ų7766 Ų6629%0.29133%0.333SS..Hα-helixtrans-57.7-46.6177.4-172.9172.2179.8-113.9-20.7112.3L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.76Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; A152-R156 WeakPolarHBondContact O-CB 3.48Å; A152-R156 PolarHBondContact O-N 3.11Å; E153-R156 PolarHBondContact O-N 2.92Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.93Å; R156-L159 PolarHBondContact O-N 3.4Å; R156-L159 VanDerWaalsContact O-N 3.13Å; R156-E160 HydrophobicContact CG-CG 4.06Å; R156-E160 IonicContact CZ-OE1 2.72Å; R156-E160 IonicContact CZ-OE2 3.29Å; R156-E160 VanDerWaalsContact CZ-OE2 3.24Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3Å; R156-E160 PolarHBondContact NE-OE1 2.93Å; R156-E160 IonicContact NE-OE2 3.12Å; R156-E160 PolarHBondContact NE-OE2 2.93Å; R156-E160 VanDerWaalsContact NH2-CD 3.27Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 PolarHBondContact NH2-OE1 3.5Å; R156-E160 IonicContact NH2-OE2 3.37Å; R156-E160 PolarHBondContact NH2-OE2 2.94Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 3.38Å
157V97.9Very high97.8Very high109 Ų10963.2 Ų63.266%0.66132%0.323SS*.Hα-helixtrans-61.7-33.5176.3170.50000112.7E153 R155 G161E153-V157 WeakPolarHBondContact O-CG2 3.32Å; E153-V157 PolarHBondContact O-N 2.85Å; R155-V157 PolarHBondContact O-N 2.84Å; V157-G161 PolarHBondContact O-N 3.45Å
158Y97.8Very high97.7Very high39 Ų3964.5 Ų64.515%0.15332%0.324CS..Iπ-helixtrans-71.4-45171.3173.9-93.4000112.2Y98 Q154 R155 R156 R162 C163Y98-Y158 AromaticContact CD2-CE1 3.82Å; Y98-Y158 HydrophobicContact CD2-CE1 3.82Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å; Q154-Y158 PolarHBondContact O-N 2.67Å; R155-Y158 WeakPolarHBondContact O-CB 3.43Å; R155-Y158 PolarHBondContact O-N 2.85Å; R155-Y158 VanDerWaalsContact O-N 3.13Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 2.93Å; Y158-R162 HydrophobicContact CD2-CB 3.95Å; Y158-R162 HydrophobicContact CE2-CB 4.16Å; Y158-R162 PolarHBondContact O-N 3.39Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 2.74Å
159L98.5Very high97.7Very high2 Ų266.8 Ų66.81%0.0132%0.316CS..Iπ-helixtrans-71.7-42.9-173-70.6173000113.4G99 F108 L125 L129 R155 R156G99-L159 WeakPolarHBondContact O-CD2 3.17Å; F108-L159 HydrophobicContact CE2-CB 4.45Å; F108-L159 VanDerWaalsContact CE2-O 3.32Å; F108-L159 WeakPolarHBondContact CE2-O 3.45Å; L125-L159 HydrophobicContact CD2-CD1 3.88Å; L129-L159 HydrophobicContact CD2-CD1 4.08Å; R155-L159 WeakPolarHBondContact O-CB 3.42Å; R155-L159 VanDerWaalsContact O-CG 3.25Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.37Å; R156-L159 PolarHBondContact O-N 3.4Å; R156-L159 VanDerWaalsContact O-N 3.13Å
160E98.3Very high97.7Very high73 Ų7363 Ų6334%0.34129%0.292SS..Iπ-helixtrans-78.5-24.1179-65.2-179.116100112.8F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.22Å; F108-E160 HydrophobicContact CE1-CG 3.95Å; F108-E160 HydrophobicContact CE2-CG 4.44Å; F108-E160 HydrophobicContact CZ-CG 4.04Å; L129-E160 HydrophobicContact CD1-CG 4.04Å; R156-E160 HydrophobicContact CG-CG 4.06Å; R156-E160 IonicContact CZ-OE1 2.72Å; R156-E160 IonicContact CZ-OE2 3.29Å; R156-E160 VanDerWaalsContact CZ-OE2 3.24Å; R156-E160 VanDerWaalsContact NE-CD 3.29Å; R156-E160 IonicContact NE-OE1 3Å; R156-E160 PolarHBondContact NE-OE1 2.93Å; R156-E160 IonicContact NE-OE2 3.12Å; R156-E160 PolarHBondContact NE-OE2 2.93Å; R156-E160 VanDerWaalsContact NH2-CD 3.27Å; R156-E160 IonicContact NH2-OE1 2.92Å; R156-E160 PolarHBondContact NH2-OE1 3.5Å; R156-E160 IonicContact NH2-OE2 3.37Å; R156-E160 PolarHBondContact NH2-OE2 2.94Å; R156-E160 WeakPolarHBondContact O-CB 3.46Å; R156-E160 PolarHBondContact O-N 3.38Å
161G97.9Very high97.7Very high22 Ų2258.3 Ų58.323%0.22727%0.27CS..Iπ-helixtrans-108.9-95.6-178.400000113.1V157 C163 V164 D165V157-G161 PolarHBondContact O-N 3.45Å; G161-C163 PolarHBondContact O-N 2.87Å; G161-V164 WeakPolarHBondContact O-CA 3.47Å; G161-V164 WeakPolarHBondContact O-CB 3.4Å; G161-V164 PolarHBondContact O-N 2.9Å; G161-D165 PolarHBondContact O-N 2.9Å
162R97.2Very high97.7Very high177 Ų17763.1 Ų63.167%0.66829%0.29SS*.Iπ-helixtrans-52.7-32.4-169.9-72.7-167-70.8161.2-3.3115Y158 G166Y158-R162 HydrophobicContact CD2-CB 3.95Å; Y158-R162 HydrophobicContact CE2-CB 4.16Å; Y158-R162 PolarHBondContact O-N 3.39Å; R162-G166 PolarHBondContact O-N 3.02Å
163C98.4Very high97.6Very high0 Ų065.1 Ų65.10%030%0.3CS..Hα-helixtrans-67.4-48.2174.7-173.90000111.5M4 C100 Y158 G161 G166 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.44Å; M4-C163 VanDerWaalsContact CE-SG 3.58Å; C100-C163 HydrophobicContact CB-CB 3.87Å; C100-C163 WeakPolarHBondContact CB-SG 3.24Å; C100-C163 PolarHBondContact N-SG 3.31Å; C100-C163 WeakPolarHBondContact SG-CB 3.31Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.3Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 2.74Å; G161-C163 PolarHBondContact O-N 2.87Å; C163-G166 PolarHBondContact O-N 3.49Å; C163-L167 WeakPolarHBondContact O-CB 3.3Å; C163-L167 PolarHBondContact O-N 3.38Å
164V98.5Very high97.6Very high3 Ų359.8 Ų59.82%0.01828%0.276CS..Hα-helixtrans-62.9-44.6177.7173.30000111.4V102 F108 G161 L167 R168V102-V164 HydrophobicContact CG1-CG1 4.06Å; V102-V164 HydrophobicContact CG1-CG2 4.12Å; F108-V164 HydrophobicContact CB-CG2 3.98Å; F108-V164 HydrophobicContact CD2-CG2 3.57Å; F108-V164 HydrophobicContact CG-CG2 4.25Å; G161-V164 WeakPolarHBondContact O-CA 3.47Å; G161-V164 WeakPolarHBondContact O-CB 3.4Å; G161-V164 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 2.74Å; V164-R168 HydrophobicContact CG1-CG 4.49Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CB 3.29Å; V164-R168 VanDerWaalsContact O-CG 3.26Å; V164-R168 WeakPolarHBondContact O-CG 3.31Å; V164-R168 PolarHBondContact O-N 2.8Å
165D98Very high97.5Very high89 Ų8957.1 Ų57.148%0.47626%0.262SS..Hα-helixtrans-68-38.5-179.7-62.8-37.7000112G161 R168 R169G161-D165 PolarHBondContact O-N 2.9Å; D165-R168 IonicContact OD1-NH1 2.73Å; D165-R168 PolarHBondContact OD1-NH1 3.2Å; D165-R169 WeakPolarHBondContact O-CB 3.29Å; D165-R169 PolarHBondContact O-N 2.68Å; D165-R169 VanDerWaalsContact O-N 3.08Å
166G97.2Very high97.3Very high15 Ų1562 Ų6216%0.15529%0.288CS..Hα-helixtrans-62.1-50171.600000112.2R162 C163 R168 R169 Y170R162-G166 PolarHBondContact O-N 3.02Å; C163-G166 PolarHBondContact O-N 3.49Å; G166-R168 PolarHBondContact O-N 3.42Å; G166-R169 WeakPolarHBondContact O-CB 3.37Å; G166-R169 PolarHBondContact O-N 2.76Å; G166-Y170 VanDerWaalsContact O-CD2 3.27Å; G166-Y170 WeakPolarHBondContact O-CD2 3.45Å; G166-Y170 PolarHBondContact O-N 2.86Å
167L98.4Very high97.1Very high0 Ų060.5 Ų60.50%029%0.288CS..Hα-helixtrans-59.2-46.5178174.353.8000111.9H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.35Å; M4-L167 HydrophobicContact CB-CB 3.99Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.15Å; M4-L167 HydrophobicContact CB-CG 4.27Å; M4-L167 HydrophobicContact CE-CB 4.38Å; V27-L167 HydrophobicContact CB-CD1 4.49Å; V27-L167 HydrophobicContact CG1-CD1 3.56Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V102-L167 HydrophobicContact CB-CD2 4.4Å; V102-L167 HydrophobicContact CG1-CD2 3.98Å; V102-L167 HydrophobicContact CG2-CD2 3.66Å; V102-L167 HydrophobicContact CG2-CG 4.22Å; C163-L167 WeakPolarHBondContact O-CB 3.3Å; C163-L167 PolarHBondContact O-N 3.38Å; V164-L167 PolarHBondContact O-N 2.74Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.91Å; L167-Y170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 3.74Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.82Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 2.94Å
168R97.8Very high96.9Very high110 Ų11055.5 Ų55.542%0.41526%0.258SS..Hα-helixtrans-56.7-45.2174.5-74.1167.5177.8166.8-4.4112.3G106 V164 D165 G166 L171 E172G106-R168 VanDerWaalsContact O-CZ 3.27Å; G106-R168 PolarHBondContact O-NE 2.94Å; G106-R168 PolarHBondContact O-NH2 3.23Å; V164-R168 HydrophobicContact CG1-CG 4.49Å; V164-R168 VanDerWaalsContact CG1-CZ 3.42Å; V164-R168 WeakPolarHBondContact O-CB 3.29Å; V164-R168 VanDerWaalsContact O-CG 3.26Å; V164-R168 WeakPolarHBondContact O-CG 3.31Å; V164-R168 PolarHBondContact O-N 2.8Å; D165-R168 IonicContact OD1-NH1 2.73Å; D165-R168 PolarHBondContact OD1-NH1 3.2Å; G166-R168 PolarHBondContact O-N 3.42Å; R168-L171 PolarHBondContact O-N 2.82Å; R168-E172 PolarHBondContact O-N 2.64Å
169R97Very high96.7Very high125 Ų12557.8 Ų57.847%0.47227%0.27SS..Hα-helixtrans-62.7-44.9177.7-174.2176-178.1-140.2-8.9111.2E54 D165 G166 L167 E172 N173E54-R169 VanDerWaalsContact CD-CZ 3.41Å; E54-R169 IonicContact OE1-CZ 3.51Å; E54-R169 IonicContact OE1-NE 3.19Å; E54-R169 IonicContact OE1-NH1 3.66Å; E54-R169 PolarHBondContact OE1-NH1 3.34Å; E54-R169 IonicContact OE1-NH2 2.76Å; E54-R169 PolarHBondContact OE1-NH2 2.91Å; E54-R169 IonicContact OE2-CZ 3.64Å; E54-R169 IonicContact OE2-NH1 3.71Å; E54-R169 PolarHBondContact OE2-NH1 2.97Å; E54-R169 IonicContact OE2-NH2 2.74Å; E54-R169 PolarHBondContact OE2-NH2 3.22Å; D165-R169 WeakPolarHBondContact O-CB 3.29Å; D165-R169 PolarHBondContact O-N 2.68Å; D165-R169 VanDerWaalsContact O-N 3.08Å; G166-R169 WeakPolarHBondContact O-CB 3.37Å; G166-R169 PolarHBondContact O-N 2.76Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.91Å; R169-E172 PolarHBondContact O-N 3.25Å; R169-N173 WeakPolarHBondContact O-CB 3.45Å; R169-N173 PolarHBondContact O-N 2.68Å; R169-N173 PolarHBondContact O-OD1 2.91Å; R169-N173 VanDerWaalsContact O-OD1 3.11Å
170Y97.7Very high96.5Very high13 Ų1361.4 Ų61.45%0.05128%0.283CS..Hα-helixtrans-66.8-37178.7-60.3-24.6000112.8M4 V27 F32 W50 I51 Y58 G166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.7Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 4.02Å; F32-Y170 HydrophobicContact CD2-CE2 4.43Å; F32-Y170 HydrophobicContact CE2-CD2 4.01Å; F32-Y170 AromaticContact CE2-CE2 3.53Å; F32-Y170 HydrophobicContact CE2-CE2 3.53Å; F32-Y170 AromaticContact CE2-CZ 3.95Å; F32-Y170 HydrophobicContact CZ-CD2 4.05Å; F32-Y170 AromaticContact CZ-CE2 3.67Å; F32-Y170 HydrophobicContact CZ-CE2 3.67Å; W50-Y170 HydrophobicContact CH2-CG 4.22Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.66Å; W50-Y170 HydrophobicContact CZ3-CG 3.66Å; I51-Y170 HydrophobicContact CD1-CD1 3.75Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.39Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å; G166-Y170 VanDerWaalsContact O-CD2 3.27Å; G166-Y170 WeakPolarHBondContact O-CD2 3.45Å; G166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.88Å; Y170-N173 PolarHBondContact O-N 3.14Å; Y170-G174 PolarHBondContact O-N 2.89Å; Y170-L178 VanDerWaalsContact O-CD1 3.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å
171L97.4Very high96.4Very high14 Ų1461 Ų617%0.07329%0.286CS..Hα-helixtrans-64.5-34.2175.1-72.6167000113.2H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.63Å; H2-L171 HydrophobicContact CB-CD2 3.93Å; H2-L171 HydrophobicContact CB-CG 4.36Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; V27-L171 HydrophobicContact CG1-CD2 4.07Å; V102-L171 HydrophobicContact CG2-CD1 4.49Å; L167-L171 HydrophobicContact CD1-CD1 3.74Å; L167-L171 HydrophobicContact CD1-CD2 4.38Å; L167-L171 HydrophobicContact CD1-CG 3.82Å; L167-L171 HydrophobicContact CG-CD1 3.9Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.49Å; L167-L171 PolarHBondContact O-N 2.94Å; R168-L171 PolarHBondContact O-N 2.82Å; L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.49Å; L171-K175 PolarHBondContact O-N 3.24Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; L171-Q179 PolarHBondContact O-NE2 3.03Å
172E96.8Very high96.4Very high114 Ų11462.1 Ų62.153%0.53329%0.286SS..Hα-helixtrans-80.3-42.1173.7-16663.3-160.200111.5R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.64Å; R169-E172 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 2.88Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.84Å; E172-K175 WeakPolarHBondContact O-CB 3.5Å; E172-K175 IonicContact OE1-NZ 3.08Å; E172-K175 PolarHBondContact OE1-NZ 2.86Å; E172-K175 IonicContact OE2-NZ 3Å; E172-K175 PolarHBondContact OE2-NZ 3.19Å
173N96.8Very high96.4Very high48 Ų4856.8 Ų56.826%0.25728%0.275SS..Hα-helixtrans-55-45.6173.6-74.37.9000112.1W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.49Å; W50-N173 WeakPolarHBondContact CB-O 3.49Å; W50-N173 HydrophobicContact CE3-CB 4.42Å; Q53-N173 PolarHBondContact NE2-ND2 2.83Å; Q53-N173 PolarHBondContact NE2-OD1 2.81Å; E54-N173 PolarHBondContact OE1-ND2 3.11Å; R169-N173 WeakPolarHBondContact O-CB 3.45Å; R169-N173 PolarHBondContact O-N 2.68Å; R169-N173 PolarHBondContact O-OD1 2.91Å; R169-N173 VanDerWaalsContact O-OD1 3.11Å; Y170-N173 PolarHBondContact O-N 3.14Å
174G96.4Very high96.4Very high3 Ų357.1 Ų57.13%0.03128%0.277CS..THydrogen-bonded Turntrans-103.918-172.400000114.5W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CB-CA 3.43Å; Y170-G174 PolarHBondContact O-N 2.89Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact C-N 3.34Å; G174-E176 PolarHBondContact O-N 2.91Å; G174-T177 CarbonylContact O-C 3.57Å; G174-T177 WeakPolarHBondContact O-CA 3.27Å; G174-T177 PolarHBondContact O-N 3.33Å; G174-L178 PolarHBondContact O-N 3.04Å
175K95.2Very high96.4Very high90 Ų9064.4 Ų64.439%0.39131%0.308SS..Hα-helixtrans-45.9-48.3-169.9-169.2167.4-162.6149.30114.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.49Å; L171-K175 PolarHBondContact O-N 3.24Å; E172-K175 WeakPolarHBondContact O-CB 3.5Å; E172-K175 IonicContact OE1-NZ 3.08Å; E172-K175 PolarHBondContact OE1-NZ 2.86Å; E172-K175 IonicContact OE2-NZ 3Å; E172-K175 PolarHBondContact OE2-NZ 3.19Å; K175-T177 PolarHBondContact O-N 2.71Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 2.83Å
176E93.1Very high96.3Very high179 Ų17962 Ų6284%0.83630%0.297SS*.Hα-helixtrans-65.3-17.5179.9-58.2-175158.300114G174 R180G174-E176 VanDerWaalsContact C-N 3.34Å; G174-E176 PolarHBondContact O-N 2.91Å; E176-R180 WeakPolarHBondContact O-CD 2.81Å
177T93Very high96.2Very high46 Ų4665 Ų6528%0.28231%0.307SS..Hα-helixtrans-106.4-42.6178.5-62.20000112.4G174 K175 R180G174-T177 CarbonylContact O-C 3.57Å; G174-T177 WeakPolarHBondContact O-CA 3.27Å; G174-T177 PolarHBondContact O-N 3.33Å; K175-T177 PolarHBondContact O-N 2.71Å; T177-R180 WeakPolarHBondContact O-CG 3.26Å
178L94.4Very high96.1Very high4 Ų466.2 Ų66.22%0.02131%0.313CS..Hα-helixtrans-88.3-29.1-171.3-61.7173.7000113.4V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.08Å; T30-L178 HydrophobicContact CG2-CD2 3.92Å; W50-L178 HydrophobicContact CD2-CD1 4.37Å; W50-L178 HydrophobicContact CH2-CD1 4.17Å; W50-L178 HydrophobicContact CZ2-CD1 3.7Å; W50-L178 HydrophobicContact CZ2-CD2 3.92Å; W50-L178 HydrophobicContact CZ2-CG 4.2Å; Y170-L178 VanDerWaalsContact O-CD1 3.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å; L171-L178 HydrophobicContact CD2-CB 4.12Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; G174-L178 PolarHBondContact O-N 3.04Å
179Q93.3Very high95.9Very high87 Ų8762.5 Ų62.541%0.40730%0.303SS..SBendtrans-103.816.2179.2-54.7-178.835.300112L171 K175L171-Q179 PolarHBondContact O-NE2 3.03Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 2.83Å
180R94.6Very high95.8Very high77 Ų7759.2 Ų59.229%0.29129%0.293SS..  trans-88.9153.6172.987.7-174.1-164.6-128.1-6.9110.5E176 T177 D182 Y208E176-R180 WeakPolarHBondContact O-CD 2.81Å; T177-R180 WeakPolarHBondContact O-CG 3.26Å; R180-D182 IonicContact CZ-OD2 3.62Å; R180-D182 VanDerWaalsContact CZ-OD2 3.24Å; R180-D182 IonicContact NE-OD1 3.6Å; R180-D182 PolarHBondContact NE-OD1 2.91Å; R180-D182 IonicContact NE-OD2 3.27Å; R180-D182 PolarHBondContact NE-OD2 2.81Å; R180-D182 IonicContact NH2-OD2 2.71Å; R180-D182 PolarHBondContact NH2-OD2 2.71Å; R180-Y208 HydrophobicContact CG-CD1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å
181T95.5Very high95.6Very high65 Ų6562.6 Ų62.640%0.39931%0.309SS..  trans-127.9111.2170.128.80000109.5P183 Y208 E263T181-P183 WeakPolarHBondContact O-CD 3.26Å; T181-Y208 CarbonylContact C-O 3.55Å; T181-Y208 WeakPolarHBondContact CA-O 3.37Å; T181-E263 HydrophobicContact CG2-CB 4.08Å; T181-E263 HydrophobicContact CG2-CG 4.04Å
182D97Very high95.4Very high45 Ų4566.7 Ų66.724%0.24134%0.336CS..BIsolated β-bridgetrans-92.8113.8176.9-59.7-44.9000108.3R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.62Å; R180-D182 VanDerWaalsContact CZ-OD2 3.24Å; R180-D182 IonicContact NE-OD1 3.6Å; R180-D182 PolarHBondContact NE-OD1 2.91Å; R180-D182 IonicContact NE-OD2 3.27Å; R180-D182 PolarHBondContact NE-OD2 2.81Å; R180-D182 IonicContact NH2-OD2 2.71Å; R180-D182 PolarHBondContact NH2-OD2 2.71Å; D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 VanDerWaalsContact O-CB 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.23Å; D182-Y208 PolarHBondContact N-O 2.97Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; D182-Y208 WeakPolarHBondContact OD2-CB 3.01Å; D182-H262 PolarHBondContact O-CE1 3.12Å
183P97.9Very high95.2Very high65 Ų6565.8 Ų65.842%0.42233%0.334SS..  trans-72.2145.4-179.226.6-33.3000112.2T181 K185 L265T181-P183 WeakPolarHBondContact O-CD 3.26Å; P183-K185 PolarHBondContact O-N 3.44Å; P183-L265 HydrophobicContact CB-CD2 3.96Å
184P98.3Very high95Very high8 Ų866 Ų665%0.05234%0.339CS..  trans-64127.2-179.426.4-35.8000112.4T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 3.25Å; P184-T186 VanDerWaalsContact O-N 3.07Å; P184-A204 HydrophobicContact CB-CB 3.78Å; P184-F207 HydrophobicContact CB-CB 3.98Å; P184-F207 HydrophobicContact CB-CD1 3.89Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.94Å; P184-H262 HydrophobicContact CG-CB 4.09Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.27Å; P184-L265 HydrophobicContact CG-CG 4.15Å
185K98.1Very high94.7Very high155 Ų15573 Ų7367%0.67438%0.375SS*.EExtended strand (participates in β ladder)trans-75.395.1166.6-63.9167.3-171.6163.50107.6P183 L205P183-K185 PolarHBondContact O-N 3.44Å; K185-L205 WeakPolarHBondContact CB-O 3.39Å; K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.14Å
186T97.4Very high94.6Very high38 Ų3875.7 Ų75.723%0.23339%0.389CS..EExtended strand (participates in β ladder)trans-89.7140.1-175.854.80000112.7P184 W203 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.13Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 3.25Å; P184-T186 VanDerWaalsContact O-N 3.07Å; T186-W203 VanDerWaalsContact CA-O 3.22Å; T186-W203 WeakPolarHBondContact CA-O 3.25Å; T186-V260 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.13Å; T186-V260 HydrophobicContact CG2-CG2 4.02Å; T186-L269 HydrophobicContact CG2-CD1 4.15Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H94.8Very high94.7Very high79 Ų7971.6 Ų71.637%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-151.6166.2167.970.3-76000110.5W203H187-W203 VanDerWaalsContact CE1-CB 3.41Å; H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.77Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 3.34Å; H187-W203 AromaticContact NE2-CD1 3.47Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 2.79Å
188M95.4Very high94.8Very high25 Ų2569.5 Ų69.512%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-115.7152.5174.9-76.6-177.647.600111.5L200 R201 C202 W216 L271 R272 W273M188-L200 HydrophobicContact CE-CB 4.44Å; M188-L200 HydrophobicContact CE-CD1 4.22Å; M188-L200 HydrophobicContact CE-CD2 4.12Å; M188-R201 WeakPolarHBondContact CA-O 3.24Å; M188-C202 HydrophobicContact CG-CB 4.33Å; M188-W216 HydrophobicContact CE-CH2 3.58Å; M188-W216 HydrophobicContact CE-CZ3 4.35Å; M188-W216 HydrophobicContact SD-CH2 4.09Å; M188-L271 HydrophobicContact CG-CB 4.44Å; M188-L271 HydrophobicContact SD-CB 3.88Å; M188-R272 VanDerWaalsContact SD-O 3.41Å; M188-W273 HydrophobicContact CB-CE3 4.02Å; M188-W273 HydrophobicContact CB-CZ3 4.39Å; M188-W273 VanDerWaalsContact CE-CA 3.48Å; M188-W273 HydrophobicContact CE-CB 3.58Å; M188-W273 HydrophobicContact CE-CE3 4.26Å; M188-W273 HydrophobicContact CE-CG 4.48Å; M188-W273 VanDerWaalsContact CE-N 3.29Å
189T94.6Very high94.9Very high33 Ų3370.4 Ų70.420%0.20236%0.363CS..EExtended strand (participates in β ladder)trans-135.6137.2176.651.30000109.5H191 R201 W203T189-H191 PolarHBondContact OG1-CE1 3.06Å; T189-R201 PolarHBondContact N-O 2.72Å; T189-R201 PolarHBondContact O-N 2.93Å; T189-R201 PolarHBondContact OG1-O 3.21Å; T189-W203 PolarHBondContact OG1-NE1 3.46Å
190H94.4Very high95.1Very high56 Ų5666.2 Ų66.226%0.25934%0.344SS..EExtended strand (participates in β ladder)trans-118.7126.3-175.9168-85.8000109.7A198 T199 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.35Å; H190-A198 WeakPolarHBondContact NE2-CB 3.42Å; H190-T199 WeakPolarHBondContact CA-O 3.48Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; H190-W273 HydrophobicContact CB-CD2 3.91Å; H190-W273 VanDerWaalsContact CB-CE2 3.5Å; H190-W273 HydrophobicContact CB-CE3 4.07Å; H190-W273 HydrophobicContact CB-CH2 3.56Å; H190-W273 HydrophobicContact CB-CZ2 3.34Å; H190-W273 HydrophobicContact CB-CZ3 3.91Å; H190-W273 AromaticContact CD2-NE1 3.9Å; H190-W273 AromaticContact CG-CE2 3.91Å; H190-W273 AromaticContact CG-CZ2 3.94Å; H190-W273 AromaticContact CG-NE1 4Å
191H93.6Very high95.3Very high84 Ų8464.6 Ų64.639%0.38934%0.337SS..EExtended strand (participates in β ladder)trans-128107.1-177.1-54.680.4000109.3T189 I193 A198 T199T189-H191 PolarHBondContact OG1-CE1 3.06Å; H191-I193 PolarHBondContact O-N 2.85Å; H191-A198 CarbonylContact O-C 3.44Å; H191-A198 WeakPolarHBondContact O-CA 3.44Å; H191-T199 PolarHBondContact N-O 2.74Å; H191-T199 PolarHBondContact O-N 2.95Å
192P93.3Very high95.4Very high100 Ų10061.5 Ų61.565%0.64932%0.318SS*.EExtended strand (participates in β ladder)trans-57.8132.7171.9-22.132.8000111
193I92.3Very high95.4Very high95 Ų9561.9 Ų61.949%0.48732%0.316SS..  trans-99.2-43.2172.6-56.3162.7000109H191 E197 T199 V247H191-I193 PolarHBondContact O-N 2.85Å; I193-E197 HydrophobicContact CB-CB 4.48Å; I193-E197 WeakPolarHBondContact CB-O 3.35Å; I193-E197 HydrophobicContact CD1-CB 4.4Å; I193-E197 PolarHBondContact N-O 2.93Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.48Å; I193-V247 HydrophobicContact CD1-CG1 3.88Å; I193-V247 HydrophobicContact CD1-CG2 4.03Å
194S92.9Very high95.5Very high51 Ų5158.8 Ų58.836%0.35730%0.296SS..SBendtrans-148.5-178.7178.471.10000110.2H196 E197S194-H196 PolarHBondContact O-N 2.85Å; S194-H196 PolarHBondContact OG-N 3.07Å; S194-H196 VanDerWaalsContact OG-N 3.11Å; S194-E197 PolarHBondContact N-O 2.97Å; S194-E197 PolarHBondContact OG-N 3.35Å
195D90Very high95.5Very high150 Ų15061 Ų6180%0.80231%0.308SS*.SBendtrans-62.5-17.5170.6-62.6-32.7000112.7S250D195-S250 WeakPolarHBondContact O-CB 3.49Å; D195-S250 PolarHBondContact O-OG 2.91Å
196H93Very high95.5Very high147 Ų14754.6 Ų54.668%0.68129%0.285SS*.SBendtrans-108.5-16.3-173.8-55.2-32.5000114.3S194 P249 S250S194-H196 PolarHBondContact O-N 2.85Å; S194-H196 PolarHBondContact OG-N 3.07Å; S194-H196 VanDerWaalsContact OG-N 3.11Å; H196-P249 WeakPolarHBondContact O-CA 3.46Å; H196-S250 WeakPolarHBondContact CA-OG 3.35Å; H196-S250 PolarHBondContact O-N 3.4Å; H196-S250 PolarHBondContact O-OG 2.95Å
197E95.1Very high95.5Very high94 Ų9452.8 Ų52.844%0.43927%0.274SS..EExtended strand (participates in β ladder)trans-145.1144.1-171.1-65.8-179.5158.600112.9I193 S194 V247 V248 S250I193-E197 HydrophobicContact CB-CB 4.48Å; I193-E197 WeakPolarHBondContact CB-O 3.35Å; I193-E197 HydrophobicContact CD1-CB 4.4Å; I193-E197 PolarHBondContact N-O 2.93Å; S194-E197 PolarHBondContact N-O 2.97Å; S194-E197 PolarHBondContact OG-N 3.35Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.31Å; E197-V248 WeakPolarHBondContact CA-O 3.3Å; E197-S250 PolarHBondContact N-OG 3.24Å
198A95.3Very high95.6Very high1 Ų149.2 Ų49.21%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-135.4151.7172.100000111.8H190 H191 V248H190-A198 VanDerWaalsContact NE2-CB 3.35Å; H190-A198 WeakPolarHBondContact NE2-CB 3.42Å; H191-A198 CarbonylContact O-C 3.44Å; H191-A198 WeakPolarHBondContact O-CA 3.44Å; A198-V248 PolarHBondContact N-O 3.49Å; A198-V248 PolarHBondContact O-N 2.97Å
199T96.8Very high95.7Very high23 Ų2349 Ų4914%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-87.1118.1166.6-46.20000110.1H190 H191 I193 A245H190-T199 WeakPolarHBondContact CA-O 3.48Å; H191-T199 PolarHBondContact N-O 2.74Å; H191-T199 PolarHBondContact O-N 2.95Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.48Å; T199-A245 HydrophobicContact CG2-CB 3.81Å
200L97.2Very high95.8Very high0 Ų048.1 Ų48.10%025%0.254CS..EExtended strand (participates in β ladder)trans-88.4121.4159.9-68.1-178.6000108.8M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CB 4.44Å; M188-L200 HydrophobicContact CE-CD1 4.22Å; M188-L200 HydrophobicContact CE-CD2 4.12Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.86Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.48Å; L200-V246 HydrophobicContact CB-CG1 4.3Å; L200-V246 PolarHBondContact N-O 3.34Å; L200-V246 PolarHBondContact O-N 2.8Å; L200-V248 HydrophobicContact CD1-CG1 3.93Å; L200-V248 HydrophobicContact CD1-CG2 4.08Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.93Å; L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD2-CG 4.42Å; L200-W273 HydrophobicContact CD1-CB 4.31Å; L200-W273 HydrophobicContact CD2-CB 3.86Å; L200-W273 HydrophobicContact CD2-CD2 4.12Å; L200-W273 HydrophobicContact CD2-CG 3.8Å
201R97.7Very high95.9Very high43 Ų4352.2 Ų52.216%0.16227%0.273CS..EExtended strand (participates in β ladder)trans-117.3117.3173.6-179.1177.2-69.6106.64.5110.5M188 T189 W203 E228 W243 A245M188-R201 WeakPolarHBondContact CA-O 3.24Å; T189-R201 PolarHBondContact N-O 2.72Å; T189-R201 PolarHBondContact O-N 2.93Å; T189-R201 PolarHBondContact OG1-O 3.21Å; R201-W203 HydrophobicContact CG-CZ2 4.49Å; R201-E228 IonicContact NH2-OE2 3.71Å; R201-E228 PolarHBondContact NH2-OE2 2.86Å; R201-W243 HydrophobicContact CG-CB 4.05Å; R201-W243 HydrophobicContact CG-CD2 4.05Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.22Å; R201-A245 HydrophobicContact CB-CB 3.88Å; R201-A245 HydrophobicContact CG-CB 4.03Å
202C97.9Very high96.2Very high0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-91.3125.4174.7-177.80000109.6M188 W216 W243 A244 C258M188-C202 HydrophobicContact CG-CB 4.33Å; C202-W216 HydrophobicContact CB-CH2 4.4Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 WeakPolarHBondContact O-CB 3.35Å; C202-A244 PolarHBondContact N-O 3.05Å; C202-A244 PolarHBondContact O-N 2.9Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.43Å
203W98.3Very high96.4Very high52 Ų5246.6 Ų46.620%0.19724%0.243CC..EExtended strand (participates in β ladder)trans-110.6143.5-178.2-6888.4000111.3T186 H187 T189 R201 L205 W243T186-W203 VanDerWaalsContact CA-O 3.22Å; T186-W203 WeakPolarHBondContact CA-O 3.25Å; H187-W203 VanDerWaalsContact CE1-CB 3.41Å; H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.77Å; H187-W203 AromaticContact CE1-CG 3.55Å; H187-W203 PolarHBondContact N-O 3.34Å; H187-W203 AromaticContact NE2-CD1 3.47Å; H187-W203 AromaticContact NE2-CG 3.73Å; H187-W203 PolarHBondContact O-N 2.79Å; T189-W203 PolarHBondContact OG1-NE1 3.46Å; R201-W203 HydrophobicContact CG-CZ2 4.49Å; W203-L205 HydrophobicContact CE3-CD2 4Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.32Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.65Å; W203-W243 HydrophobicContact CE3-CG 4.04Å; W203-W243 HydrophobicContact CG-CB 4.27Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.35Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ3-CB 4.39Å; W203-W243 AromaticContact CZ3-CD1 3.3Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å; W203-W243 AromaticContact CZ3-NE1 3.95Å
204A98.5Very high96.7Very high0 Ų042.4 Ų42.40%022%0.221CC..EExtended strand (participates in β ladder)trans-122.6126.3161.700000108.3P184 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.78Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.35Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; A204-L214 HydrophobicContact CB-CD1 4.01Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 WeakPolarHBondContact O-CA 3.21Å; A204-K242 PolarHBondContact N-O 3.18Å; A204-K242 PolarHBondContact O-N 3.06Å
205L98.3Very high96.9Very high56 Ų5641.8 Ų41.829%0.29322%0.215SC..EExtended strand (participates in β ladder)trans-132.3145.9-176.6-61178.6000111.4K185 W203 Q241K185-L205 WeakPolarHBondContact CB-O 3.39Å; K185-L205 PolarHBondContact N-O 3.45Å; K185-L205 PolarHBondContact O-N 3.14Å; W203-L205 HydrophobicContact CE3-CD2 4Å; L205-Q241 HydrophobicContact CD2-CB 3.6Å
206G97.8Very high97.2Very high19 Ų1934.8 Ų34.820%0.19618%0.177CC..EExtended strand (participates in β ladder)trans72.434.7166.900000114.4T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.21Å; G206-F240 PolarHBondContact N-O 2.89Å
207F98.2Very high97.5Very high0 Ų029.6 Ų29.60%015%0.154CC..EExtended strand (participates in β ladder)trans-107.5158.2-178.458.7-91.9000113.5D182 P184 A204 P209 I212 T232 T239 F240 K242 H262D182-F207 WeakPolarHBondContact O-CA 3.48Å; D182-F207 VanDerWaalsContact O-CB 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.23Å; P184-F207 HydrophobicContact CB-CB 3.98Å; P184-F207 HydrophobicContact CB-CD1 3.89Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.77Å; A204-F207 WeakPolarHBondContact O-CE1 3.35Å; F207-P209 WeakPolarHBondContact CD2-O 3.4Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.39Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.85Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.48Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.22Å; F207-I212 HydrophobicContact CZ-CD1 3.82Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 3.99Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.25Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.15Å; F207-F240 HydrophobicContact CD2-CB 3.86Å; F207-F240 HydrophobicContact CE1-CB 4.38Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 3.13Å; F207-F240 PolarHBondContact O-N 3.39Å; F207-K242 HydrophobicContact CE1-CB 4.41Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.74Å
208Y97.4Very high97.5Very high5 Ų528.7 Ų28.72%0.0215%0.146CC..BIsolated β-bridgetrans-154.3135.7174.7-178.8-84.7000109D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.07Å; T30-Y208 PolarHBondContact OG1-OH 2.85Å; R180-Y208 HydrophobicContact CG-CD1 4.21Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å; T181-Y208 CarbonylContact C-O 3.55Å; T181-Y208 WeakPolarHBondContact CA-O 3.37Å; D182-Y208 PolarHBondContact N-O 2.97Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; D182-Y208 WeakPolarHBondContact OD2-CB 3.01Å; Y208-G238 WeakPolarHBondContact CD2-O 3.4Å; Y208-F240 HydrophobicContact CD2-CD2 4.41Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.45Å; Y208-H262 PolarHBondContact O-CE1 3.22Å; Y208-H262 VanDerWaalsContact O-CE1 3.24Å
209P96.6Very high97.5Very high21 Ų2133.4 Ų33.414%0.13617%0.171CC..SBendcis-70.2178.30.931.2-37.3000113D29 F207 E211 H262D29-P209 VanDerWaalsContact OD2-CB 3.29Å; D29-P209 WeakPolarHBondContact OD2-CB 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.4Å; P209-E211 VanDerWaalsContact C-N 3.33Å; P209-E211 PolarHBondContact O-N 2.97Å; P209-H262 PolarHBondContact O-NE2 3.49Å
210A97.4Very high97.3Very high14 Ų1434.5 Ų34.512%0.11619%0.187CC..SBendtrans-72.1-21.7-176.400000114.2D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.38Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.33Å; D29-A210 PolarHBondContact OD2-N 3.05Å; A210-I212 PolarHBondContact O-N 2.88Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.45Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.7Å; A210-F240 HydrophobicContact CB-CE1 3.84Å; A210-F240 HydrophobicContact CB-CE2 3.8Å; A210-F240 HydrophobicContact CB-CG 3.7Å; A210-F240 HydrophobicContact CB-CZ 3.88Å
211E97.4Very high97.2Very high142 Ų14240.7 Ų40.766%0.66422%0.216SC*.  trans-66.4116.1179.8-175.350-123.600110.8P209 H262P209-E211 VanDerWaalsContact C-N 3.33Å; P209-E211 PolarHBondContact O-N 2.97Å; E211-H262 PolarHBondContact O-CD2 3.39Å; E211-H262 VanDerWaalsContact O-CD2 3.24Å
212I98.1Very high97.1Very high9 Ų943.2 Ų43.25%0.04623%0.233CC..  trans-154.3133.8-175.5-163.4172.3000110.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.02Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.39Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.49Å; F207-I212 HydrophobicContact CE2-CB 3.85Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.48Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 4.03Å; F207-I212 HydrophobicContact CZ-CB 4.22Å; F207-I212 HydrophobicContact CZ-CD1 3.82Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 2.88Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.72Å; I212-L214 HydrophobicContact CG2-CD1 4.28Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-V260 HydrophobicContact CD1-CG1 4.1Å; I212-V260 HydrophobicContact CG1-CG1 4.41Å; I212-Q261 WeakPolarHBondContact CG1-O 3.13Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.06Å
213T98.1Very high97Very high57 Ų5744 Ų4435%0.3524%0.237SC..EExtended strand (participates in β ladder)trans-104.2122173.2-66.40000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.95Å; T213-V260 WeakPolarHBondContact O-CA 3.01Å; T213-Q261 PolarHBondContact N-O 3.47Å; T213-Q261 PolarHBondContact O-N 3.03Å
214L98Very high96.6Very high6 Ų646.6 Ų46.63%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-115.8122.2168.7-89.961.6000107.7A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.01Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.72Å; I212-L214 HydrophobicContact CG2-CD1 4.28Å; L214-L229 HydrophobicContact CB-CD1 4.12Å; L214-K242 HydrophobicContact CD1-CD 4.34Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L214-A244 HydrophobicContact CB-CB 4.06Å; L214-A244 HydrophobicContact CD2-CB 4.3Å; L214-H259 WeakPolarHBondContact CA-O 3.44Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CD1-CG2 4.37Å; L214-V260 HydrophobicContact CG-CG2 4.25Å
215T97.4Very high96.2Very high39 Ų3955.8 Ų55.824%0.23930%0.301CS..EExtended strand (participates in β ladder)trans-130.9152.3174.754.60000111.6T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.95Å; T215-C258 CarbonylContact O-C 3.49Å; T215-C258 WeakPolarHBondContact O-CA 3.15Å; T215-H259 PolarHBondContact N-O 2.83Å; T215-H259 PolarHBondContact O-N 3.19Å
216W97.8Very high95.8Very high2 Ų258.5 Ų58.51%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-106.6137.2170.8-83.3107.4000110.4M188 L200 C202 D222 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.58Å; M188-W216 HydrophobicContact CE-CZ3 4.35Å; M188-W216 HydrophobicContact SD-CH2 4.09Å; L200-W216 HydrophobicContact CB-CH2 3.67Å; L200-W216 HydrophobicContact CB-CZ2 3.86Å; L200-W216 HydrophobicContact CD1-CH2 4.03Å; L200-W216 HydrophobicContact CD1-CZ3 4.26Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CH2 4.4Å; C202-W216 HydrophobicContact CB-CZ2 3.65Å; W216-D222 WeakPolarHBondContact O-CA 3.34Å; W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 3.05Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.85Å; W216-V246 HydrophobicContact CD2-CB 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.55Å; W216-V246 HydrophobicContact CE3-CG1 3.92Å; W216-V246 HydrophobicContact CG-CB 4.14Å; W216-V246 HydrophobicContact CG-CG1 3.83Å; W216-V246 HydrophobicContact CH2-CG1 4.38Å; W216-V246 HydrophobicContact CZ2-CG1 4.06Å; W216-V246 HydrophobicContact CZ3-CG1 4.33Å; W216-T257 WeakPolarHBondContact CA-O 3.41Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.07Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.09Å; W216-C258 HydrophobicContact CZ3-CB 3.97Å
217Q97.6Very high95.6Very high39 Ų3958.8 Ų58.818%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-126.2139.6171.5-74.3-178.1-7.900110.9E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.36Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 2.85Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.22Å; Q217-T257 PolarHBondContact O-OG1 2.8Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.32Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.45Å; Q217-H259 PolarHBondContact OE1-NE2 3.24Å
218R96.8Very high95.6Very high74 Ų7464 Ų6428%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-109.2119.9167.5-171.3-17469-164.9-7.7108.9G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.97Å; R218-E221 PolarHBondContact N-O 3.16Å; R218-E221 PolarHBondContact O-N 2.79Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; R218-R255 WeakPolarHBondContact CA-O 3.34Å; R218-R255 HydrophobicContact CG-CB 3.94Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 VanDerWaalsContact CD-CZ 3.48Å; R218-Y256 WeakPolarHBondContact CD-OH 3.32Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CD2 4.24Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 3.95Å; R218-Y256 HydrophobicContact CG-CG 4.42Å
219D94.6Very high95.5Very high101 Ų10168.1 Ų68.154%0.5436%0.36SS..THydrogen-bonded Turntrans53.613.8-175.2-53-49000115.4R255D219-R255 PolarHBondContact N-O 2.9Å; D219-R255 WeakPolarHBondContact OD1-CB 3.25Å; D219-R255 IonicContact OD1-NE 3.5Å; D219-R255 PolarHBondContact OD1-NE 3.24Å; D219-R255 IonicContact OD2-CZ 2.68Å; D219-R255 IonicContact OD2-NE 3.85Å; D219-R255 PolarHBondContact OD2-NE 3.21Å; D219-R255 IonicContact OD2-NH2 3.34Å; D219-R255 PolarHBondContact OD2-NH2 2.95Å
220G91.5Very high95.5Very high46 Ų4668.8 Ų68.847%0.47436%0.364SS..THydrogen-bonded Turntrans108.5-6.2-175.600000115.3R218R218-G220 PolarHBondContact O-N 2.97Å
221E95.8Very high95.5Very high129 Ų12976.2 Ų76.260%0.60340%0.396SS*.EExtended strand (participates in β ladder)trans-93.6126.4177.2-60.7-175.9151.200111.3Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.36Å; R218-E221 PolarHBondContact N-O 3.16Å; R218-E221 PolarHBondContact O-N 2.79Å; E221-Q223 PolarHBondContact O-N 2.97Å; E221-Q223 PolarHBondContact O-NE2 2.87Å
222D95.8Very high95.5Very high96 Ų9671.6 Ų71.651%0.51338%0.378SS..EExtended strand (participates in β ladder)trans-63.1129.2-179.6-67.6-38.1000112.4W216 Q217 T224W216-D222 WeakPolarHBondContact O-CA 3.34Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 2.85Å; D222-T224 PolarHBondContact O-N 3.12Å
223Q95.3Very high95.5Very high18 Ų1876 Ų768%0.08439%0.394CS..  trans-99.239-175.7-54-63.1-88.700112.1W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 3.05Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; E221-Q223 PolarHBondContact O-N 2.97Å; E221-Q223 PolarHBondContact O-NE2 2.87Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.83Å; Q223-D226 PolarHBondContact O-N 3.19Å; Q223-T227 WeakPolarHBondContact O-CB 3.43Å; Q223-T227 PolarHBondContact O-N 3.09Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å
224T90.2Very high95.5Very high106 Ų10677.5 Ų77.565%0.6541%0.405SS*.  trans-63.2-28.6-165.6-49.10000114.5D222D222-T224 PolarHBondContact O-N 3.12Å
225Q90.7Very high95.4Very high192 Ų19279.7 Ų79.790%0.89742%0.423SS*.SBendtrans-81.1-32.6179.1-63.2-172.812.800112.5Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.83Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D88.4Confident95.2Very high113 Ų11381.5 Ų81.560%0.60445%0.45SS*.SBendtrans-91.64.8-178.4-48.5-80.3000112.8Q223Q223-D226 PolarHBondContact O-N 3.19Å
227T95Very high95Very high26 Ų2686.8 Ų86.816%0.1648%0.478CS..EExtended strand (participates in β ladder)trans-97.3117.3-179.4-64.90000112Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.43Å; Q223-T227 PolarHBondContact O-N 3.09Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.19Å; T227-L229 PolarHBondContact O-N 2.92Å; T227-L229 VanDerWaalsContact O-N 3.16Å; T227-A244 HydrophobicContact CG2-CB 4Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 WeakPolarHBondContact CA-O 3.46Å
228E96.7Very high94.7Very high110 Ų11087 Ų8751%0.51449%0.49SS..EExtended strand (participates in β ladder)trans-73.897.1162.8-175.5-171.8-153.400109.1R201 W243 A244 A245R201-E228 IonicContact NH2-OE2 3.71Å; R201-E228 PolarHBondContact NH2-OE2 2.86Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.92Å; E228-W243 HydrophobicContact CG-CZ3 3.74Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.3Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.31Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 3.39Å; E228-A245 PolarHBondContact O-N 3.32Å
229L96.9Very high94.7Very high90 Ų9084 Ų8447%0.47148%0.481SS..EExtended strand (participates in β ladder)trans-105118.8177.5-174.768.6000110.5L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.12Å; T227-L229 HydrophobicContact CG2-CB 4.19Å; T227-L229 PolarHBondContact O-N 2.92Å; T227-L229 VanDerWaalsContact O-N 3.16Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
230V96.9Very high94.9Very high35 Ų3580.5 Ų80.521%0.21246%0.461CS..PPolyproline II helixtrans-83.9153.3174.8-640000112.6K242 W243V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.49Å; V230-K242 WeakPolarHBondContact O-CG 3.27Å; V230-K242 PolarHBondContact O-NZ 3.32Å; V230-W243 HydrophobicContact CG1-CD2 4.06Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.75Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.3Å; V230-W243 PolarHBondContact N-O 3.43Å
231E97Very high95.2Very high170 Ų17080.3 Ų80.379%0.79445%0.447SS*.PPolyproline II helixtrans-54.9150165.9-66.2-174.6161.700111.4R233E231-R233 PolarHBondContact O-N 3.22Å
232T98Very high95.3Very high45 Ų4575.2 Ų75.228%0.27642%0.423SS..PPolyproline II helixtrans-72.6126.8174.4-54.90000108.6F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 3.99Å; F207-T232 HydrophobicContact CZ-CG2 3.87Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.45Å; T232-F240 HydrophobicContact CG2-CB 3.88Å; T232-F240 HydrophobicContact CG2-CD1 4.07Å; T232-F240 HydrophobicContact CG2-CG 4.26Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 2.04Å
233R97.3Very high95.5Very high102 Ų10271.8 Ų71.839%0.38540%0.403SS..EExtended strand (participates in β ladder)trans-123.8146.4-174.770-165.2-175.9-1733.7111E231 Q241E231-R233 PolarHBondContact O-N 3.22Å; R233-Q241 HydrophobicContact CG-CG 3.68Å; R233-Q241 PolarHBondContact N-O 3.46Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.15Å; R233-Q241 PolarHBondContact O-N 2.79Å
234P97.1Very high95.6Very high89 Ų8971 Ų7158%0.57840%0.399SS*.EExtended strand (participates in β ladder)trans-66.6153.5176.827.9-34.8000111.7F240 Q241P234-F240 HydrophobicContact CB-CD1 4.36Å; P234-F240 HydrophobicContact CB-CE1 4.09Å; P234-Q241 PolarHBondContact O-NE2 2.87Å
235A96.6Very high95.9Very high51 Ų5166 Ų6642%0.42137%0.369SS..  trans-92.4-20.1169.400000112.7D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.33Å; A235-T239 PolarHBondContact N-O 3.48Å; A235-Q241 HydrophobicContact CB-CG 4.46Å
236G93.4Very high96.3Very high77 Ų7757 Ų5779%0.79433%0.327SS*.SBendtrans99.2-7.7178.100000115
237D92.9Very high96.7Very high114 Ų11455 Ų5561%0.6132%0.319SS*.SBendtrans-100.78.7175.960.6-0.2000113.3A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.07Å; D237-T239 PolarHBondContact OD1-OG1 3.1Å; D237-T239 PolarHBondContact OD2-OG1 2.88Å
238G92Very high96.7Very high42 Ų4253.8 Ų53.843%0.43331%0.311SS..SBendtrans892.2-171.400000114.5Y208Y208-G238 WeakPolarHBondContact CD2-O 3.4Å
239T97.1Very high96.7Very high13 Ų1350.9 Ų50.98%0.0830%0.302CS..  trans-107.1171.4171.974.70000112.5G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.21Å; F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.25Å; A235-T239 PolarHBondContact N-O 3.48Å; D237-T239 WeakPolarHBondContact OD1-CB 3.46Å; D237-T239 PolarHBondContact OD1-N 3.07Å; D237-T239 PolarHBondContact OD1-OG1 3.1Å; D237-T239 PolarHBondContact OD2-OG1 2.88Å
240F98.3Very high96.4Very high27 Ų2749.4 Ų49.412%0.11830%0.299CS..EExtended strand (participates in β ladder)trans-119.8163.3-177.1-66-84.6000112.7D29 G206 F207 Y208 A210 T232 P234D29-F240 HydrophobicContact CB-CE2 3.74Å; D29-F240 HydrophobicContact CB-CZ 3.73Å; G206-F240 PolarHBondContact N-O 2.89Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.15Å; F207-F240 HydrophobicContact CD2-CB 3.86Å; F207-F240 HydrophobicContact CE1-CB 4.38Å; F207-F240 WeakPolarHBondContact CE1-O 3.49Å; F207-F240 HydrophobicContact CE2-CB 3.44Å; F207-F240 VanDerWaalsContact CE2-CB 3.44Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.72Å; F207-F240 PolarHBondContact N-O 3.13Å; F207-F240 PolarHBondContact O-N 3.39Å; Y208-F240 HydrophobicContact CD2-CD2 4.41Å; Y208-F240 HydrophobicContact CD2-CE2 4.04Å; Y208-F240 HydrophobicContact CE2-CE2 4.45Å; A210-F240 HydrophobicContact CB-CD1 3.76Å; A210-F240 HydrophobicContact CB-CD2 3.7Å; A210-F240 HydrophobicContact CB-CE1 3.84Å; A210-F240 HydrophobicContact CB-CE2 3.8Å; A210-F240 HydrophobicContact CB-CG 3.7Å; A210-F240 HydrophobicContact CB-CZ 3.88Å; T232-F240 HydrophobicContact CG2-CB 3.88Å; T232-F240 HydrophobicContact CG2-CD1 4.07Å; T232-F240 HydrophobicContact CG2-CG 4.26Å; P234-F240 HydrophobicContact CB-CD1 4.36Å; P234-F240 HydrophobicContact CB-CE1 4.09Å
241Q98.3Very high96.1Very high41 Ų4150.8 Ų50.819%0.19232%0.32CS..EExtended strand (participates in β ladder)trans-143.6143.5178.340161.6-28.300110.2A204 L205 R233 P234 A235A204-Q241 WeakPolarHBondContact O-CA 3.21Å; L205-Q241 HydrophobicContact CD2-CB 3.6Å; R233-Q241 HydrophobicContact CG-CG 3.68Å; R233-Q241 PolarHBondContact N-O 3.46Å; R233-Q241 VanDerWaalsContact NE-CD 3.27Å; R233-Q241 VanDerWaalsContact O-CG 3.26Å; R233-Q241 WeakPolarHBondContact O-CG 3.15Å; R233-Q241 PolarHBondContact O-N 2.79Å; P234-Q241 PolarHBondContact O-NE2 2.87Å; A235-Q241 HydrophobicContact CB-CG 4.46Å
242K98.6Very high96Very high22 Ų2245.5 Ų45.510%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-150.1157.3177.2-161.3-176.2-169.466.60109.2A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.18Å; A204-K242 PolarHBondContact O-N 3.06Å; F207-K242 HydrophobicContact CE1-CB 4.41Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.25Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.34Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; V230-K242 HydrophobicContact CG2-CG 4.45Å; V230-K242 WeakPolarHBondContact O-CE 3.49Å; V230-K242 WeakPolarHBondContact O-CG 3.27Å; V230-K242 PolarHBondContact O-NZ 3.32Å; T232-K242 WeakPolarHBondContact OG1-CD 3.36Å; T232-K242 PolarHBondContact OG1-NZ 2.04Å
243W98.2Very high95.7Very high25 Ų2544.4 Ų44.410%0.09529%0.287CS..EExtended strand (participates in β ladder)trans-146.4158.416856.2-96.6000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.05Å; R201-W243 HydrophobicContact CG-CD2 4.05Å; R201-W243 HydrophobicContact CG-CE3 3.78Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 WeakPolarHBondContact O-CB 3.35Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.32Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.65Å; W203-W243 HydrophobicContact CE3-CG 4.04Å; W203-W243 HydrophobicContact CG-CB 4.27Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.35Å; W203-W243 AromaticContact CH2-NE1 3.94Å; W203-W243 HydrophobicContact CZ3-CB 4.39Å; W203-W243 AromaticContact CZ3-CD1 3.3Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å; W203-W243 AromaticContact CZ3-NE1 3.95Å; E228-W243 HydrophobicContact CB-CZ3 4.29Å; E228-W243 HydrophobicContact CG-CH2 3.92Å; E228-W243 HydrophobicContact CG-CZ3 3.74Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.18Å; E228-W243 WeakPolarHBondContact OE2-CZ3 3.3Å; V230-W243 HydrophobicContact CG1-CD2 4.06Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.75Å; V230-W243 HydrophobicContact CG1-CZ2 3.41Å; V230-W243 VanDerWaalsContact CG1-CZ2 3.41Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.84Å; V230-W243 HydrophobicContact CG2-CG 3.8Å; V230-W243 WeakPolarHBondContact CG2-O 3.3Å; V230-W243 PolarHBondContact N-O 3.43Å; W243-A245 HydrophobicContact CE3-CB 3.97Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244A98.1Very high95.5Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-129.5130173.200000108.1C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.05Å; C202-A244 PolarHBondContact O-N 2.9Å; L214-A244 HydrophobicContact CB-CB 4.06Å; L214-A244 HydrophobicContact CD2-CB 4.3Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.85Å; T227-A244 HydrophobicContact CG2-CB 4Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.31Å; L229-A244 HydrophobicContact CD1-CB 3.71Å
245A97.6Very high95.4Very high2 Ų244.1 Ų44.12%0.01728%0.278CS..EExtended strand (participates in β ladder)trans-121.8148.2177.300000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.81Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.48Å; R201-A245 HydrophobicContact CB-CB 3.88Å; R201-A245 HydrophobicContact CG-CB 4.03Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 WeakPolarHBondContact CA-O 3.46Å; E228-A245 HydrophobicContact CB-CB 4.3Å; E228-A245 PolarHBondContact N-O 3.39Å; E228-A245 PolarHBondContact O-N 3.32Å; W243-A245 HydrophobicContact CE3-CB 3.97Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V97.6Very high95.4Very high3 Ų342.1 Ų42.12%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-138.5143.6176.663.30000108.8L200 W216 V248 Y256L200-V246 HydrophobicContact CB-CG1 4.3Å; L200-V246 PolarHBondContact N-O 3.34Å; L200-V246 PolarHBondContact O-N 2.8Å; W216-V246 HydrophobicContact CD2-CB 4.36Å; W216-V246 HydrophobicContact CD2-CG1 3.55Å; W216-V246 HydrophobicContact CE3-CG1 3.92Å; W216-V246 HydrophobicContact CG-CB 4.14Å; W216-V246 HydrophobicContact CG-CG1 3.83Å; W216-V246 HydrophobicContact CH2-CG1 4.38Å; W216-V246 HydrophobicContact CZ2-CG1 4.06Å; W216-V246 HydrophobicContact CZ3-CG1 4.33Å; V246-V248 HydrophobicContact CG1-CG1 3.86Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG1-CE1 4.49Å; V246-Y256 HydrophobicContact CG2-CD1 4.39Å; V246-Y256 HydrophobicContact CG2-CE1 4.07Å
247V97.1Very high95.6Very high71 Ų7138.7 Ų38.743%0.4322%0.224SC..EExtended strand (participates in β ladder)trans-85.3130.1171.4-179.60000108.3I193 E197I193-V247 HydrophobicContact CD1-CG1 3.88Å; I193-V247 HydrophobicContact CD1-CG2 4.03Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.31Å
248V96.2Very high95.8Very high1 Ų133.3 Ų33.31%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-127.7146.1-177.2-50.10000110.8E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.3Å; A198-V248 PolarHBondContact N-O 3.49Å; A198-V248 PolarHBondContact O-N 2.97Å; L200-V248 HydrophobicContact CD1-CG1 3.93Å; L200-V248 HydrophobicContact CD1-CG2 4.08Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.93Å; V246-V248 HydrophobicContact CG1-CG1 3.86Å; V248-E253 HydrophobicContact CG2-CG 4Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CB-CG 4.5Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.58Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å
249P95.8Very high96.1Very high49 Ų4933.5 Ų33.532%0.31819%0.185SC..EExtended strand (participates in β ladder)trans-63.2141.5170.4-2032.2000111.7H196 G251 E252H196-P249 WeakPolarHBondContact O-CA 3.46Å; P249-G251 PolarHBondContact O-N 2.86Å; P249-E252 HydrophobicContact CB-CB 4.25Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CB 4.47Å; P249-E252 HydrophobicContact CG-CG 4.4Å; P249-E252 WeakPolarHBondContact O-CB 3.38Å; P249-E252 PolarHBondContact O-N 3.43Å
250S91.4Very high96.2Very high59 Ų5932.9 Ų32.941%0.41318%0.181SC..THydrogen-bonded Turntrans-54.9123.3175-63.90000111.5D195 H196 E197D195-S250 WeakPolarHBondContact O-CB 3.49Å; D195-S250 PolarHBondContact O-OG 2.91Å; H196-S250 WeakPolarHBondContact CA-OG 3.35Å; H196-S250 PolarHBondContact O-N 3.4Å; H196-S250 PolarHBondContact O-OG 2.95Å; E197-S250 PolarHBondContact N-OG 3.24Å
251G89.7Confident96.2Very high63 Ų6336.5 Ų36.565%0.64920%0.198SC*.THydrogen-bonded Turntrans88.7-5-177.800000115.2P249 E253P249-G251 PolarHBondContact O-N 2.86Å; G251-E253 VanDerWaalsContact C-OE2 3.23Å; G251-E253 WeakPolarHBondContact CA-OE2 3.38Å; G251-E253 VanDerWaalsContact N-CD 3.34Å; G251-E253 PolarHBondContact N-OE1 2.83Å; G251-E253 PolarHBondContact N-OE2 3.21Å
252E94.1Very high96.2Very high59 Ų5935.3 Ų35.328%0.27619%0.193SC..  trans-952.2174.4-70-157.7-166.800113.8P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.25Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CB 4.47Å; P249-E252 HydrophobicContact CG-CG 4.4Å; P249-E252 WeakPolarHBondContact O-CB 3.38Å; P249-E252 PolarHBondContact O-N 3.43Å; E252-Q254 PolarHBondContact O-N 3.39Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.44Å; E252-R255 PolarHBondContact O-N 3Å; E252-R255 IonicContact OE1-NH1 2.8Å; E252-R255 PolarHBondContact OE1-NH1 3.36Å; E252-R255 WeakPolarHBondContact OE2-CD 3.26Å; E252-R255 IonicContact OE2-CZ 2.67Å; E252-R255 IonicContact OE2-NE 2.83Å; E252-R255 IonicContact OE2-NH1 3.15Å; E252-R255 PolarHBondContact OE2-NH1 3.43Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å
253E93.4Very high96Very high23 Ų2341 Ų4111%0.10722%0.22CC..G310 helixtrans-57.2-28.1-169.5-5279.2-172.500113.3L200 V248 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD2-CG 4.42Å; V248-E253 HydrophobicContact CG2-CG 4Å; G251-E253 VanDerWaalsContact C-OE2 3.23Å; G251-E253 WeakPolarHBondContact CA-OE2 3.38Å; G251-E253 VanDerWaalsContact N-CD 3.34Å; G251-E253 PolarHBondContact N-OE1 2.83Å; G251-E253 PolarHBondContact N-OE2 3.21Å; E253-R255 VanDerWaalsContact C-N 3.32Å; E253-R255 PolarHBondContact O-N 3.09Å; E253-Y256 PolarHBondContact O-N 2.81Å; E253-W273 HydrophobicContact CB-CB 4.09Å; E253-W273 HydrophobicContact CB-CG 4.25Å
254Q92.6Very high95.9Very high90 Ų9040.7 Ų40.742%0.42122%0.224SC..G310 helixtrans-71.6-22.1178.5-59.5-53.7-47.500114.2E252 Y256 W273E252-Q254 PolarHBondContact O-N 3.39Å; Q254-Y256 VanDerWaalsContact C-N 3.27Å; Q254-W273 PolarHBondContact NE2-O 3.17Å
255R95.3Very high95.8Very high94 Ų9441.9 Ų41.936%0.35523%0.23SC..G310 helixtrans-72.3-25.3175.3-60.3176.471.71766.8111.7R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.34Å; R218-R255 HydrophobicContact CG-CB 3.94Å; D219-R255 PolarHBondContact N-O 2.9Å; D219-R255 WeakPolarHBondContact OD1-CB 3.25Å; D219-R255 IonicContact OD1-NE 3.5Å; D219-R255 PolarHBondContact OD1-NE 3.24Å; D219-R255 IonicContact OD2-CZ 2.68Å; D219-R255 IonicContact OD2-NE 3.85Å; D219-R255 PolarHBondContact OD2-NE 3.21Å; D219-R255 IonicContact OD2-NH2 3.34Å; D219-R255 PolarHBondContact OD2-NH2 2.95Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.44Å; E252-R255 PolarHBondContact O-N 3Å; E252-R255 IonicContact OE1-NH1 2.8Å; E252-R255 PolarHBondContact OE1-NH1 3.36Å; E252-R255 WeakPolarHBondContact OE2-CD 3.26Å; E252-R255 IonicContact OE2-CZ 2.67Å; E252-R255 IonicContact OE2-NE 2.83Å; E252-R255 IonicContact OE2-NH1 3.15Å; E252-R255 PolarHBondContact OE2-NH1 3.43Å; E253-R255 VanDerWaalsContact C-N 3.32Å; E253-R255 PolarHBondContact O-N 3.09Å
256Y96.4Very high95.8Very high9 Ų948.1 Ų48.14%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-90.2134.8-176.3-67.9-99000111.3Q217 R218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 WeakPolarHBondContact O-CA 3.41Å; R218-Y256 HydrophobicContact CB-CD1 4.04Å; R218-Y256 HydrophobicContact CB-CE1 3.91Å; R218-Y256 VanDerWaalsContact CD-CZ 3.48Å; R218-Y256 WeakPolarHBondContact CD-OH 3.32Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CD2 4.24Å; R218-Y256 HydrophobicContact CG-CE1 4.06Å; R218-Y256 HydrophobicContact CG-CE2 3.95Å; R218-Y256 HydrophobicContact CG-CG 4.42Å; Q223-Y256 HydrophobicContact CG-CE1 4.36Å; V246-Y256 HydrophobicContact CG1-CD1 4.06Å; V246-Y256 HydrophobicContact CG1-CE1 4.49Å; V246-Y256 HydrophobicContact CG2-CD1 4.39Å; V246-Y256 HydrophobicContact CG2-CE1 4.07Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.66Å; V248-Y256 HydrophobicContact CB-CG 4.5Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.58Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å; E252-Y256 HydrophobicContact CB-CE2 4.3Å; E252-Y256 WeakPolarHBondContact O-CD2 3.34Å; E253-Y256 PolarHBondContact O-N 2.81Å; Q254-Y256 VanDerWaalsContact C-N 3.27Å
257T97.2Very high95.7Very high6 Ų655.9 Ų55.94%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-130.9130179.245.40000110W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.41Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.22Å; Q217-T257 PolarHBondContact O-OG1 2.8Å; T257-H259 WeakPolarHBondContact CB-NE2 3.35Å; T257-H259 PolarHBondContact OG1-NE2 2.96Å; T257-T270 HydrophobicContact CG2-CG2 3.94Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.36Å; T257-R272 HydrophobicContact CG2-CG 3.63Å
258C97.8Very high95.7Very high0 Ų056.2 Ų56.20%031%0.308CS..EExtended strand (participates in β ladder)trans-94.3127.3169.9173.60000109.1C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.43Å; T215-C258 CarbonylContact O-C 3.49Å; T215-C258 WeakPolarHBondContact O-CA 3.15Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.07Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.09Å; W216-C258 HydrophobicContact CZ3-CB 3.97Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.45Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.38Å; C258-L271 PolarHBondContact O-N 3.08Å
259H97.8Very high95.7Very high47 Ų4759.1 Ų59.122%0.21832%0.323CS..EExtended strand (participates in β ladder)trans-108.1133.5176.6-62.2-98000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.44Å; T215-H259 PolarHBondContact N-O 2.83Å; T215-H259 PolarHBondContact O-N 3.19Å; Q217-H259 WeakPolarHBondContact CB-NE2 3.32Å; Q217-H259 WeakPolarHBondContact CG-NE2 3.45Å; Q217-H259 PolarHBondContact OE1-NE2 3.24Å; T257-H259 WeakPolarHBondContact CB-NE2 3.35Å; T257-H259 PolarHBondContact OG1-NE2 2.96Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 WeakPolarHBondContact CA-O 3.43Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.03Å; H259-T270 PolarHBondContact CE1-OG1 3.18Å; H259-T270 VanDerWaalsContact CE1-OG1 3.23Å; H259-T270 PolarHBondContact ND1-OG1 3.46Å
260V98.3Very high95.8Very high0 Ų060.4 Ų60.40%033%0.33CS..EExtended strand (participates in β ladder)trans-125.3120.5-176.6-175.90000109.5P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.94Å; T186-V260 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.13Å; T186-V260 HydrophobicContact CG2-CG2 4.02Å; I212-V260 HydrophobicContact CD1-CG1 4.1Å; I212-V260 HydrophobicContact CG1-CG1 4.41Å; T213-V260 WeakPolarHBondContact O-CA 3.01Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CD1-CG2 4.37Å; L214-V260 HydrophobicContact CG-CG2 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.1Å; V260-P268 WeakPolarHBondContact O-CA 3.34Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 2.69Å; V260-L269 PolarHBondContact O-N 2.97Å; V260-L271 HydrophobicContact CG2-CD1 3.91Å
261Q98.3Very high96Very high102 Ų10259.3 Ų59.348%0.47732%0.319SS..EExtended strand (participates in β ladder)trans-118.4128.4175.6-44.8-174.119.800109.5I212 T213 P268I212-Q261 WeakPolarHBondContact CG1-O 3.13Å; T213-Q261 PolarHBondContact N-O 3.47Å; T213-Q261 PolarHBondContact O-N 3.03Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.19Å
262H98.1Very high96.1Very high17 Ų1763.6 Ų63.68%0.07932%0.315CS..  trans-156.1148.8-177.4-175.2-102.4000109.3D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.12Å; P184-H262 HydrophobicContact CG-CB 4.09Å; F207-H262 AromaticContact CD2-CD2 3.95Å; F207-H262 AromaticContact CD2-NE2 3.74Å; Y208-H262 PolarHBondContact O-CE1 3.22Å; Y208-H262 VanDerWaalsContact O-CE1 3.24Å; P209-H262 PolarHBondContact O-NE2 3.49Å; E211-H262 PolarHBondContact O-CD2 3.39Å; E211-H262 VanDerWaalsContact O-CD2 3.24Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 2.81Å; H262-G264 PolarHBondContact O-N 3.06Å; H262-L265 HydrophobicContact CB-CD1 3.91Å; H262-L265 HydrophobicContact CB-CG 4.07Å; H262-L265 WeakPolarHBondContact O-CB 3.47Å; H262-L265 PolarHBondContact O-N 2.94Å
263E95.6Very high95.9Very high142 Ų14263 Ų6366%0.66431%0.311SS*.THydrogen-bonded Turntrans-64.1-28.8-176.9-166.9174.7176.900113.3T181 L265T181-E263 HydrophobicContact CG2-CB 4.08Å; T181-E263 HydrophobicContact CG2-CG 4.04Å; E263-L265 PolarHBondContact O-N 3.27Å
264G95.1Very high95.2Very high17 Ų1769.3 Ų69.318%0.17534%0.34CS..THydrogen-bonded Turntrans-74.4-7.7174.600000114.9H262H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 2.81Å; H262-G264 PolarHBondContact O-N 3.06Å
265L97.3Very high93.8Very high25 Ų2571 Ų7113%0.13135%0.352CS..  trans-94.9122.6178.7-64.9172.7000110.7P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.96Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.27Å; P184-L265 HydrophobicContact CG-CG 4.15Å; V260-L265 HydrophobicContact CG1-CD1 4.1Å; H262-L265 HydrophobicContact CB-CD1 3.91Å; H262-L265 HydrophobicContact CB-CG 4.07Å; H262-L265 WeakPolarHBondContact O-CB 3.47Å; H262-L265 PolarHBondContact O-N 2.94Å; E263-L265 PolarHBondContact O-N 3.27Å; L265-K267 WeakPolarHBondContact CB-O 3.26Å; L265-K267 PolarHBondContact O-N 3.06Å; L265-K267 VanDerWaalsContact O-N 3.14Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.03Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CG 4Å
266P96.1Very high91.7Very high134 Ų13471.2 Ų71.287%0.8737%0.368SS*.SBendtrans-67.7-16.5179.828.5-35.7000113.3
267K96.5Very high89.2Confident165 Ų16575.6 Ų75.672%0.71740%0.399SS*.SBendtrans-151.4150.3169-63-173.6-179178.60108.3L265L265-K267 WeakPolarHBondContact CB-O 3.26Å; L265-K267 PolarHBondContact O-N 3.06Å; L265-K267 VanDerWaalsContact O-N 3.14Å
268P97Very high86.5Confident79 Ų7983.3 Ų83.351%0.51344%0.435SS..  trans-49.8140.4168.8-2936.9000112.5V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.34Å; Q261-P268 HydrophobicContact CG-CB 4.16Å; Q261-P268 HydrophobicContact CG-CG 4.19Å
269L96.9Very high83.7Confident62 Ų6288.8 Ų88.833%0.32547%0.47SS..EExtended strand (participates in β ladder)trans-91139.4172.4-64.7175.3000109.7T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.15Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 WeakPolarHBondContact CA-O 3.43Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 2.69Å; V260-L269 PolarHBondContact O-N 2.97Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.03Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CG 4Å
270T96.7Very high81.2Confident76 Ų7692.6 Ų92.647%0.46650%0.497SS..EExtended strand (participates in β ladder)trans-117.5119.2168.6-55.20000108.4T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.94Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.45Å; H259-T270 WeakPolarHBondContact CE1-CG2 3.03Å; H259-T270 PolarHBondContact CE1-OG1 3.18Å; H259-T270 VanDerWaalsContact CE1-OG1 3.23Å; H259-T270 PolarHBondContact ND1-OG1 3.46Å
271L95Very high79.1Confident35 Ų3598.2 Ų98.218%0.18353%0.526CS..EExtended strand (participates in β ladder)trans-108.6141.7-176.4-61.8154000109.3T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CG-CB 4.44Å; M188-L271 HydrophobicContact SD-CB 3.88Å; T257-L271 CarbonylContact C-O 3.58Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.36Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.38Å; C258-L271 PolarHBondContact O-N 3.08Å; V260-L271 HydrophobicContact CG2-CD1 3.91Å
272R92.9Very high76.8Confident153 Ų15397.7 Ų97.758%0.57753%0.532SS*.EExtended strand (participates in β ladder)trans-120.2160168.7-77.9-174169141.63.2109.7M188 T257 E274M188-R272 VanDerWaalsContact SD-O 3.41Å; T257-R272 HydrophobicContact CG2-CG 3.63Å; R272-E274 VanDerWaalsContact C-N 3.34Å; R272-E274 PolarHBondContact O-N 3.49Å
273W89.8Confident74.9Confident48 Ų48102.4 Ų102.418%0.18256%0.556CS.*  trans-69.895167.1-179-124.3000109.2M188 H190 L200 E253 Q254 L275M188-W273 HydrophobicContact CB-CE3 4.02Å; M188-W273 HydrophobicContact CB-CZ3 4.39Å; M188-W273 VanDerWaalsContact CE-CA 3.48Å; M188-W273 HydrophobicContact CE-CB 3.58Å; M188-W273 HydrophobicContact CE-CE3 4.26Å; M188-W273 HydrophobicContact CE-CG 4.48Å; M188-W273 VanDerWaalsContact CE-N 3.29Å; H190-W273 HydrophobicContact CB-CD2 3.91Å; H190-W273 VanDerWaalsContact CB-CE2 3.5Å; H190-W273 HydrophobicContact CB-CE3 4.07Å; H190-W273 HydrophobicContact CB-CH2 3.56Å; H190-W273 HydrophobicContact CB-CZ2 3.34Å; H190-W273 HydrophobicContact CB-CZ3 3.91Å; H190-W273 AromaticContact CD2-NE1 3.9Å; H190-W273 AromaticContact CG-CE2 3.91Å; H190-W273 AromaticContact CG-CZ2 3.94Å; H190-W273 AromaticContact CG-NE1 4Å; L200-W273 HydrophobicContact CD1-CB 4.31Å; L200-W273 HydrophobicContact CD2-CB 3.86Å; L200-W273 HydrophobicContact CD2-CD2 4.12Å; L200-W273 HydrophobicContact CD2-CG 3.8Å; E253-W273 HydrophobicContact CB-CB 4.09Å; E253-W273 HydrophobicContact CB-CG 4.25Å; Q254-W273 PolarHBondContact NE2-O 3.17Å; W273-L275 PolarHBondContact O-N 2.96Å
274E79.4Confident73Confident155 Ų155101.5 Ų101.572%0.72456%0.56SS**  trans-64.7123.3161.4-66.3-172.1166.200107.7R272 S276R272-E274 VanDerWaalsContact C-N 3.34Å; R272-E274 PolarHBondContact O-N 3.49Å; E274-S276 PolarHBondContact O-N 2.97Å
275L62.8Low71.1Confident125 Ų125102.9 Ų102.965%0.65457%0.574SS**  trans-65.984.4159.9-86.880.2000106.7W273 S277W273-L275 PolarHBondContact O-N 2.96Å; L275-S277 PolarHBondContact O-N 3.32Å
276S51.3Low69.5Low99 Ų99106.1 Ų106.169%0.69259%0.591SS**  trans-53.4110.8172.4-1780000106.9E274 Q278E274-S276 PolarHBondContact O-N 2.97Å; S276-Q278 PolarHBondContact O-N 3.47Å
277S43.1Very low68.2Low100 Ų100104.2 Ų104.270%0.69957%0.572SS**  trans-60.5113.2-175.743.40000107.7L275 P279L275-S277 PolarHBondContact O-N 3.32Å; S277-P279 VanDerWaalsContact O-N 3.14Å
278Q40.1Very low66.7Low168 Ų16898.6 Ų98.679%0.78556%0.556SS**  trans-46.4128.3158.4-72.5-174.6-9.500106.1S276 T280S276-Q278 PolarHBondContact O-N 3.47Å; Q278-T280 VanDerWaalsContact C-N 3.3Å; Q278-T280 PolarHBondContact O-N 2.8Å
279P38.8Very low65.6Low115 Ų11596.2 Ų96.275%0.74755%0.547SS*.  trans-62.1102.3177.224.6-32.3000106.7S277 I281S277-P279 VanDerWaalsContact O-N 3.14Å; P279-I281 PolarHBondContact O-N 3.23Å
280T46.4Very low64.7Low128 Ų12898.6 Ų98.679%0.78556%0.559SS**  trans-67.283.4169.928.30000106.2Q278Q278-T280 VanDerWaalsContact C-N 3.3Å; Q278-T280 PolarHBondContact O-N 2.8Å
281I53.4Low63.7Low117 Ų11799.6 Ų99.660%0.657%0.565SS**  trans-38.9119.7166.6-63.4171.4000105.1P279 I283 I286P279-I281 PolarHBondContact O-N 3.23Å; I281-I283 VanDerWaalsContact C-N 3.26Å; I281-I283 WeakPolarHBondContact O-CG1 3.49Å; I281-I283 PolarHBondContact O-N 3.48Å; I281-I286 HydrophobicContact CG2-CD1 3.62Å
282P50.5Low62.6Low92 Ų92103.5 Ų103.560%0.59759%0.585SS**  trans-7187.9-167.325.2-33.8000109.5V284 G285 I286P282-V284 PolarHBondContact O-N 2.76Å; P282-V284 VanDerWaalsContact O-N 3.14Å; P282-G285 WeakPolarHBondContact O-CA 3.47Å; P282-G285 PolarHBondContact O-N 3.12Å; P282-I286 PolarHBondContact O-N 3.46Å; P282-I286 VanDerWaalsContact O-N 3.16Å
283I58.7Low61.7Low116 Ų116101.3 Ų101.360%0.59558%0.584SS**Hα-helixtrans-54.6-36.3-178.7-62.6177.7000109.3I281 G285 I286 I287I281-I283 VanDerWaalsContact C-N 3.26Å; I281-I283 WeakPolarHBondContact O-CG1 3.49Å; I281-I283 PolarHBondContact O-N 3.48Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 2.97Å; I283-I286 PolarHBondContact O-N 3.27Å; I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.19Å; I283-I287 WeakPolarHBondContact O-CB 3.26Å; I283-I287 VanDerWaalsContact O-CG1 3.3Å; I283-I287 WeakPolarHBondContact O-CG1 2.81Å; I283-I287 PolarHBondContact O-N 2.74Å
284V54.3Low60.9Low123 Ų123100.7 Ų100.775%0.74559%0.593SS**Hα-helixtrans-55.8-43.4172.2-176.50000112.5P282 A288P282-V284 PolarHBondContact O-N 2.76Å; P282-V284 VanDerWaalsContact O-N 3.14Å; V284-A288 VanDerWaalsContact O-CB 3.26Å; V284-A288 WeakPolarHBondContact O-CB 3.39Å; V284-A288 PolarHBondContact O-N 3.37Å
285G55.9Low60.7Low46 Ų4696 Ų9647%0.47458%0.581SS.*Hα-helixtrans-69.7-38.4178.100000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.47Å; P282-G285 PolarHBondContact O-N 3.12Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 2.97Å; G285-G289 PolarHBondContact O-N 3.14Å
286I64.9Low61.4Low92 Ų9295 Ų9547%0.47258%0.58SS.*Hα-helixtrans-66.7-45.7175-62.2177.6000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.62Å; P282-I286 PolarHBondContact O-N 3.46Å; P282-I286 VanDerWaalsContact O-N 3.16Å; I283-I286 PolarHBondContact O-N 3.27Å; I286-G289 PolarHBondContact O-N 3.13Å; I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.44Å; I286-L290 WeakPolarHBondContact O-CB 3.34Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.29Å; I286-L290 PolarHBondContact O-N 3.33Å
287I67.3Low62.4Low95 Ų9595.2 Ų95.249%0.48757%0.572SS.*Hα-helixtrans-61.6-46.7176-69.9173000110.6I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.19Å; I283-I287 WeakPolarHBondContact O-CB 3.26Å; I283-I287 VanDerWaalsContact O-CG1 3.3Å; I283-I287 WeakPolarHBondContact O-CG1 2.81Å; I283-I287 PolarHBondContact O-N 2.74Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 3.32Å; I287-L290 PolarHBondContact O-N 3.45Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.5Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.39Å; I287-V291 PolarHBondContact O-N 2.88Å
288A66.4Low63.8Low46 Ų4694.7 Ų94.738%0.3857%0.565SS.*Hα-helixtrans-59.9-43.9177.300000111.9V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.26Å; V284-A288 WeakPolarHBondContact O-CB 3.39Å; V284-A288 PolarHBondContact O-N 3.37Å; A288-V291 PolarHBondContact O-N 3.47Å; A288-L292 WeakPolarHBondContact O-CB 3.16Å; A288-L292 VanDerWaalsContact O-CG 3.28Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 2.86Å
289G71.9Confident65.3Low30 Ų3088.6 Ų88.631%0.30955%0.547SS..Hα-helixtrans-61.4-44.4175.100000113.2G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 3.14Å; I286-G289 PolarHBondContact O-N 3.13Å; I287-G289 VanDerWaalsContact C-N 3.35Å; I287-G289 PolarHBondContact O-N 3.32Å; G289-L292 PolarHBondContact O-N 3.13Å; G289-L293 WeakPolarHBondContact O-CB 3.33Å; G289-L293 WeakPolarHBondContact O-CG 3.36Å; G289-L293 PolarHBondContact O-N 3.24Å
290L77.9Confident67Low112 Ų11285.9 Ų85.959%0.58653%0.534SS*.Hα-helixtrans-66.4-40.1177.5-72.4171000112.6I286 I287 L293 G294I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.44Å; I286-L290 WeakPolarHBondContact O-CB 3.34Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.29Å; I286-L290 PolarHBondContact O-N 3.33Å; I287-L290 PolarHBondContact O-N 3.45Å; L290-L293 PolarHBondContact O-N 2.89Å; L290-G294 PolarHBondContact O-N 2.86Å
291V76.5Confident68.4Low96 Ų9683.8 Ų83.858%0.58252%0.521SS*.Hα-helixtrans-65-43.2175.6169.80000110.9I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.5Å; I287-V291 VanDerWaalsContact O-CG2 3.3Å; I287-V291 WeakPolarHBondContact O-CG2 3.39Å; I287-V291 PolarHBondContact O-N 2.88Å; A288-V291 PolarHBondContact O-N 3.47Å; V291-G294 PolarHBondContact O-N 3.03Å; V291-A295 WeakPolarHBondContact O-CB 3.04Å; V291-A295 PolarHBondContact O-N 2.88Å
292L71.9Confident69.3Low117 Ų11782.3 Ų82.361%0.61352%0.517SS*.Hα-helixtrans-64.2-43.6175.6-73.2168.9000112A288 G289 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.16Å; A288-L292 VanDerWaalsContact O-CG 3.28Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 3.13Å; L292-A295 PolarHBondContact O-N 3.41Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 2.81Å
293L73.9Confident70.3Confident107 Ų10780.5 Ų80.556%0.5651%0.51SS*.Hα-helixtrans-61.2-44.7174.4-78.6164.7000111.7G289 L290 A295 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.33Å; G289-L293 WeakPolarHBondContact O-CG 3.36Å; G289-L293 PolarHBondContact O-N 3.24Å; L290-L293 PolarHBondContact O-N 2.89Å; L293-A295 PolarHBondContact O-N 2.91Å; L293-V296 PolarHBondContact O-N 3.01Å; L293-I297 WeakPolarHBondContact O-CB 3.47Å; L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 3.19Å
294G73.4Confident70.9Confident35 Ų3577.7 Ų77.736%0.36150%0.504SS..Hα-helixtrans-61.6-40.417600000113.2L290 V291 T298L290-G294 PolarHBondContact O-N 2.86Å; V291-G294 PolarHBondContact O-N 3.03Å; G294-T298 PolarHBondContact O-N 3.21Å; G294-T298 PolarHBondContact O-OG1 2.98Å
295A74.8Confident71.7Confident58 Ų5875.6 Ų75.648%0.47949%0.492SS..Hα-helixtrans-65.8-42.317500000112.3V291 L292 L293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.04Å; V291-A295 PolarHBondContact O-N 2.88Å; L292-A295 PolarHBondContact O-N 3.41Å; L293-A295 PolarHBondContact O-N 2.91Å; A295-T298 WeakPolarHBondContact CA-OG1 3.38Å; A295-T298 PolarHBondContact O-OG1 2.84Å; A295-T298 VanDerWaalsContact O-OG1 3.12Å; A295-G299 PolarHBondContact O-N 2.86Å
296V76.8Confident72.4Confident103 Ų10379.6 Ų79.662%0.62450%0.5SS*.Hα-helixtrans-66.2-43.3176.6169.90000111.2L292 L293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 2.81Å; L293-V296 PolarHBondContact O-N 3.01Å; V296-G299 PolarHBondContact O-N 3.19Å; V296-A300 VanDerWaalsContact O-CB 3.31Å; V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 2.89Å
297I74.2Confident72.5Confident104 Ų10485 Ų8553%0.53351%0.514SS..Hα-helixtrans-63.9-46177.9-69.6164.9000110.9L293 A300 V301L293-I297 WeakPolarHBondContact O-CB 3.47Å; L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.44Å; L293-I297 PolarHBondContact O-N 3.19Å; I297-A300 PolarHBondContact O-N 3.47Å; I297-V301 VanDerWaalsContact O-CG2 3.32Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.08Å
298T70.9Confident72.3Confident88 Ų8890 Ų9054%0.5453%0.527SS..Hα-helixtrans-64.7-41.8176.543.60000112.1G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 3.21Å; G294-T298 PolarHBondContact O-OG1 2.98Å; A295-T298 WeakPolarHBondContact CA-OG1 3.38Å; A295-T298 PolarHBondContact O-OG1 2.84Å; A295-T298 VanDerWaalsContact O-OG1 3.12Å; T298-A300 PolarHBondContact O-N 3.19Å; T298-V301 PolarHBondContact O-N 2.72Å; T298-V302 WeakPolarHBondContact O-CB 3.48Å; T298-V302 WeakPolarHBondContact O-CG2 3.27Å; T298-V302 PolarHBondContact O-N 3.45Å
299G72.4Confident71.9Confident40 Ų4097.4 Ų97.441%0.41255%0.545SS..Hα-helixtrans-59.3-44.3173.200000113.1A295 V296 V302 A303A295-G299 PolarHBondContact O-N 2.86Å; V296-G299 PolarHBondContact O-N 3.19Å; G299-V302 PolarHBondContact O-N 3Å; G299-A303 VanDerWaalsContact O-CB 3.31Å; G299-A303 WeakPolarHBondContact O-CB 3.46Å; G299-A303 PolarHBondContact O-N 3.46Å
300A73.9Confident71Confident58 Ų58104.4 Ų104.448%0.47957%0.567SS.*Hα-helixtrans-65.5-41.2176.900000112.5V296 I297 T298 A303 A304V296-A300 VanDerWaalsContact O-CB 3.31Å; V296-A300 WeakPolarHBondContact O-CB 3.49Å; V296-A300 PolarHBondContact O-N 2.89Å; I297-A300 PolarHBondContact O-N 3.47Å; T298-A300 PolarHBondContact O-N 3.19Å; A300-A303 PolarHBondContact O-N 2.72Å; A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.26Å; A300-A304 PolarHBondContact O-N 2.84Å
301V75.4Confident69.7Low85 Ų85102.6 Ų102.652%0.51556%0.564SS.*Hα-helixtrans-64.7-45.4175.5169.40000111.1I297 T298 A304 V305I297-V301 VanDerWaalsContact O-CG2 3.32Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.08Å; T298-V301 PolarHBondContact O-N 2.72Å; V301-A304 PolarHBondContact O-N 3.36Å; V301-V305 HydrophobicContact CG1-CG2 4.46Å; V301-V305 WeakPolarHBondContact O-CB 3.49Å; V301-V305 VanDerWaalsContact O-CG2 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.48Å; V301-V305 PolarHBondContact O-N 3.34Å
302V73.7Confident68.5Low85 Ų85102.6 Ų102.652%0.51557%0.568SS.*Hα-helixtrans-61.2-46176.2170.30000110.8T298 G299 A304 V305 M306T298-V302 WeakPolarHBondContact O-CB 3.48Å; T298-V302 WeakPolarHBondContact O-CG2 3.27Å; T298-V302 PolarHBondContact O-N 3.45Å; G299-V302 PolarHBondContact O-N 3Å; V302-A304 PolarHBondContact O-N 3Å; V302-V305 PolarHBondContact O-N 3.11Å; V302-M306 HydrophobicContact CG1-SD 4.08Å; V302-M306 WeakPolarHBondContact O-CB 3.43Å; V302-M306 WeakPolarHBondContact O-CG 3.22Å; V302-M306 PolarHBondContact O-N 3.41Å
303A70.4Confident67.3Low55 Ų55104.1 Ų104.146%0.45558%0.577SS.*Hα-helixtrans-60.5-43.7176.100000112.3G299 A300 M306 W307G299-A303 VanDerWaalsContact O-CB 3.31Å; G299-A303 WeakPolarHBondContact O-CB 3.46Å; G299-A303 PolarHBondContact O-N 3.46Å; A300-A303 PolarHBondContact O-N 2.72Å; A303-M306 PolarHBondContact O-N 2.99Å; A303-W307 WeakPolarHBondContact O-CB 3.34Å; A303-W307 PolarHBondContact O-N 2.96Å
304A71.6Confident66Low56 Ų56109.4 Ų109.446%0.46359%0.589SS.*Hα-helixtrans-66.4-37.7177.800000112.9A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.26Å; A300-A304 PolarHBondContact O-N 2.84Å; V301-A304 PolarHBondContact O-N 3.36Å; V302-A304 PolarHBondContact O-N 3Å; A304-W307 PolarHBondContact O-N 3.44Å; A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 2.88Å
305V70.7Confident64.3Low80 Ų80117.5 Ų117.549%0.48561%0.614SS.*Hα-helixtrans-68.1-42.2174.7169.50000111.1V301 V302 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.46Å; V301-V305 WeakPolarHBondContact O-CB 3.49Å; V301-V305 VanDerWaalsContact O-CG2 3.31Å; V301-V305 WeakPolarHBondContact O-CG2 3.48Å; V301-V305 PolarHBondContact O-N 3.34Å; V302-V305 PolarHBondContact O-N 3.11Å; V305-R308 PolarHBondContact O-N 3.35Å; V305-R309 PolarHBondContact O-N 2.76Å
306M71.1Confident62.5Low130 Ų130118.5 Ų118.564%0.6463%0.631SS**Hα-helixtrans-63.5-40.9173.3-72.6-17970.200111.8V302 A303 R309 K310V302-M306 HydrophobicContact CG1-SD 4.08Å; V302-M306 WeakPolarHBondContact O-CB 3.43Å; V302-M306 WeakPolarHBondContact O-CG 3.22Å; V302-M306 PolarHBondContact O-N 3.41Å; A303-M306 PolarHBondContact O-N 2.99Å; M306-R309 PolarHBondContact O-N 2.93Å; M306-K310 WeakPolarHBondContact O-CB 3.16Å; M306-K310 PolarHBondContact O-N 3.22Å
307W67.4Low60.4Low205 Ų205117.6 Ų117.678%0.77764%0.642SS**Hα-helixtrans-64-44.6175.6-160.4-61.1000111.3A303 A304 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.34Å; A303-W307 PolarHBondContact O-N 2.96Å; A304-W307 PolarHBondContact O-N 3.44Å; W307-K310 CarbonylContact O-C 3.6Å; W307-K310 PolarHBondContact O-N 3.24Å; W307-S311 WeakPolarHBondContact O-CB 3.28Å; W307-S311 PolarHBondContact O-N 3Å; W307-S311 PolarHBondContact O-OG 3.19Å
308R63.1Low58.4Low200 Ų200118 Ų11876%0.75565%0.654SS**Hα-helixtrans-57.3-50.6174.2-87.4-174.1168.2179.8-2.7111.6A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.47Å; A304-R308 PolarHBondContact O-N 2.88Å; V305-R308 PolarHBondContact O-N 3.35Å; R308-K310 VanDerWaalsContact C-N 3.29Å; R308-K310 PolarHBondContact O-N 2.93Å; R308-S311 WeakPolarHBondContact CA-OG 3.38Å; R308-S311 PolarHBondContact O-N 3.12Å; R308-S311 VanDerWaalsContact O-N 3.07Å; R308-S311 PolarHBondContact O-OG 2.74Å; R308-S312 PolarHBondContact O-N 2.91Å; R308-S312 PolarHBondContact O-OG 2.73Å
309R57.6Low56.6Low201 Ų201123.8 Ų123.876%0.75867%0.668SS**Hα-helixtrans-56.9-38.7174.7-89.9-174.7165-179.8-4.3113.1V305 M306 S312V305-R309 PolarHBondContact O-N 2.76Å; M306-R309 PolarHBondContact O-N 2.93Å; R309-S312 PolarHBondContact O-OG 3.35Å
310K52.3Low54.8Low177 Ų177127.7 Ų127.777%0.7768%0.684SS**Hα-helixtrans-74.2-25177.6-164.8172.7-176.2177.90113.2M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.16Å; M306-K310 PolarHBondContact O-N 3.22Å; W307-K310 CarbonylContact O-C 3.6Å; W307-K310 PolarHBondContact O-N 3.24Å; R308-K310 VanDerWaalsContact C-N 3.29Å; R308-K310 PolarHBondContact O-N 2.93Å
311S52.3Low52.9Low74 Ų74133.4 Ų133.452%0.51770%0.7SS.*Hα-helixtrans-84.8-28.5178.367.90000114.1W307 R308 D313W307-S311 WeakPolarHBondContact O-CB 3.28Å; W307-S311 PolarHBondContact O-N 3Å; W307-S311 PolarHBondContact O-OG 3.19Å; R308-S311 WeakPolarHBondContact CA-OG 3.38Å; R308-S311 PolarHBondContact O-N 3.12Å; R308-S311 VanDerWaalsContact O-N 3.07Å; R308-S311 PolarHBondContact O-OG 2.74Å; S311-D313 PolarHBondContact O-N 3.37Å
312S50.8Low50.9Low97 Ų97133.6 Ų133.668%0.67871%0.711SS**Hα-helixtrans-69.3-21.1176.445.70000113.8R308 R309R308-S312 PolarHBondContact O-N 2.91Å; R308-S312 PolarHBondContact O-OG 2.73Å; R309-S312 PolarHBondContact O-OG 3.35Å
313D47.5Very low49Very low148 Ų148134.2 Ų134.279%0.79173%0.725SS**THydrogen-bonded Turntrans-93.84.6-170-141.528.1000113.8S311S311-D313 PolarHBondContact O-N 3.37Å
314R46.2Very low47.3Very low219 Ų219137.4 Ų137.483%0.82674%0.744SS**SBendtrans-151.869.6-175.2-160.3173.8179.3164.1-0.1116.1
315K37.9Very low45.6Very low204 Ų204140.3 Ų140.389%0.88776%0.761SS**  trans-174107.5134-105.6167.7-178.4-175.60112.6
316G35.5Very low44Very low80 Ų80143.9 Ų143.983%0.82578%0.777SS**  trans-72.4151.7150.500000110
317G34.1Very low42.6Very low84 Ų84143.5 Ų143.587%0.86679%0.787SS**  trans-88.4171-169.300000115.8
318S32Very low41.1Very low112 Ų112137.8 Ų137.878%0.78378%0.784SS**  trans-163.1154.6146.3-162.40000111.4
319Y33Very low40.1Very low210 Ų210137.8 Ų137.882%0.82479%0.792SS**  trans-53.4167174-50.9-94.7000113.6
320T34.3Very low39Very low122 Ų122131.4 Ų131.475%0.74879%0.789SS**  cis-160.2-174.211.4-15.50000107.7
321Q34.8Very low38.5Very low177 Ų177128.1 Ų128.183%0.82779%0.789SS**  cis-155.7164.7-0.1179.1158-30.800111.6
322A32.7Very low37.9Very low89 Ų89131.5 Ų131.574%0.73680%0.801SS**  trans-26.6142.2171.700000123.8
323A34.8Very low37.3Very low99 Ų99132.6 Ų132.682%0.81880%0.803SS**  -159.6128.4119.400000107.3
324S34.2Very low37Very low121 Ų121130.1 Ų130.185%0.84680%0.797SS**  cis95.683.140.6-175.50000114.4
325S36.3Very low36.9Very low117 Ų117127.3 Ų127.382%0.81880%0.798SS**  trans-161.3134.7147.459.80000111.7
326D35.7Very low37Very low156 Ų156124.7 Ų124.783%0.83480%0.799SS**  trans-79.5150.9176.2-65.4-75.6000113.4
327S41.3Very low37.2Very low121 Ų121125 Ų12585%0.84679%0.794SS**  -175.3120.9117.626.70000114.6
328A37.7Very low37.4Very low86 Ų86126.8 Ų126.871%0.71179%0.792SS**  trans15.5141.9147.100000124
329Q40.2Very low38Very low199 Ų199134.6 Ų134.693%0.9381%0.812SS**  trans69.8139.6150.2-67.9166.5-17.600118.7
330G35.3Very low38.3Very low67 Ų67130.9 Ų130.969%0.69181%0.811SS**  cis158.8150.1-9.400000113.3
331S41.5Very low38.5Very low108 Ų108131.3 Ų131.376%0.75582%0.815SS**  trans65122.5169.2-67.20000117
332D40.7Very low38.7Very low146 Ų146128.8 Ų128.878%0.78181%0.814SS**  75.6138.167.6-70.7-44.4000113.9
333V38Very low39.1Very low120 Ų120131.1 Ų131.173%0.72782%0.819SS**  cis-166169.1-21.394.50000108.5
334S40.2Very low39.3Very low95 Ų95133.1 Ų133.166%0.66482%0.819SS**  trans67.7131.1173.7-70.40000116.6
335L44Very low39.7Very low160 Ų160133.9 Ų133.984%0.83882%0.817SS**  66.910655.8-67.1172.3000114.7
336T40.2Very low39.9Very low149 Ų149135.1 Ų135.191%0.91482%0.817SS**  -154.1159.8120.4-23.10000110.1
337A40.1Very low40.2Very low87 Ų87133.5 Ų133.572%0.71982%0.815SS**  trans-115.2159.2170.400000110.1
338C39.4Very low40.1Very low122 Ų122134.6 Ų134.682%0.82481%0.813SS**  trans-166.5142.6143.4-104.50000112.7
339K44.5Very low40.4Very low276 Ų276139 Ų139100%1.282%0.822SS**  trans43.40153.9-65.9-177.9176178.60117.9

Retrieved 339 of 339 residues in 1430.5 ms (Link to these results)

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