A0A060N2L5_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060N2L5, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 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
1S94.7Very high98.2Very high94 Ų9438.5 Ų38.566%0.65721%0.205SC*.  0153.60-57.10000107.8L102S1-L102 VanDerWaalsContact CA-O 3.26Å; S1-L102 WeakPolarHBondContact CA-O 3.33Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.4Å
2H98.3Very high98.2Very high46 Ų4636.8 Ų36.821%0.21320%0.198CC..EExtended strand (participates in β ladder)trans-140.6158.6-179.1-67.4-75.6000110.5D28 D101 L102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.21Å; H2-D28 IonicContact CG-OD2 3.77Å; H2-D28 IonicContact ND1-OD1 2.69Å; H2-D28 IonicContact ND1-OD2 2.73Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.42Å; H2-L102 PolarHBondContact N-O 3.28Å; H2-L102 VanDerWaalsContact N-O 3.09Å; H2-L102 PolarHBondContact O-N 2.04Å; H2-L167 HydrophobicContact CB-CD1 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.76Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.44Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.35Å
3S98.6Very high98Very high25 Ų2539.8 Ų39.818%0.17521%0.205CC..EExtended strand (participates in β ladder)trans-133.6150.1177.765.60000111.6V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.52Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 2.86Å; S3-C100 WeakPolarHBondContact CA-O 3.18Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.8Very high97.6Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-124.2124.7167.2-176170.465.100108.1Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.37Å; M4-Y6 HydrophobicContact CG-CE2 4.36Å; M4-Y6 HydrophobicContact SD-CE2 4.32Å; M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; M4-G99 CarbonylContact O-C 3.54Å; M4-G99 WeakPolarHBondContact O-CA 3.06Å; M4-C100 PolarHBondContact N-O 3.21Å; M4-C100 PolarHBondContact O-N 2.99Å; M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.26Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; M4-W166 HydrophobicContact CE-CB 4.08Å; M4-W166 HydrophobicContact SD-CB 4.47Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.21Å; M4-L167 HydrophobicContact CE-CB 4.31Å; M4-L167 HydrophobicContact SD-CB 4.37Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å
5R98.8Very high97.3Very high48 Ų4844.3 Ų44.318%0.18126%0.264CS..EExtended strand (participates in β ladder)trans-132.1138.1-176.6-57.3-62.2-177.179.44.7110.8F7 G25 Y26 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.35Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.44Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; R5-Y26 PolarHBondContact N-O 3.48Å; R5-Y26 PolarHBondContact O-N 3.09Å; R5-Y98 WeakPolarHBondContact CA-O 3.26Å; R5-D101 IonicContact CZ-OD1 3.75Å; R5-D101 IonicContact NE-OD1 3.41Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 2.95Å; R5-D101 PolarHBondContact NH2-OD1 2.83Å; R5-D101 IonicContact NH2-OD2 2.66Å; R5-D101 PolarHBondContact NH2-OD2 3.18Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; R5-H112 PolarHBondContact NH2-NE2 3.24Å; R5-H112 VanDerWaalsContact NH2-NE2 3.16Å
6Y98.8Very high97.1Very high11 Ų1154.8 Ų54.84%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-110135.1167-70.5-88.7000109.3M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.37Å; M4-Y6 HydrophobicContact CG-CE2 4.36Å; M4-Y6 HydrophobicContact SD-CE2 4.32Å; Y6-Y8 HydrophobicContact CD1-CE1 4.21Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y6-V24 WeakPolarHBondContact CA-O 3.49Å; Y6-F32 HydrophobicContact CE1-CZ 4.12Å; Y6-F32 AromaticContact CZ-CZ 3.86Å; Y6-V33 HydrophobicContact CE1-CG2 4.01Å; Y6-M97 WeakPolarHBondContact O-CA 3.47Å; Y6-Y98 AromaticContact CD2-CE2 3.75Å; Y6-Y98 HydrophobicContact CD2-CE2 3.75Å; Y6-Y98 AromaticContact CD2-CZ 3.81Å; Y6-Y98 HydrophobicContact CG-CE1 4.3Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 2.9Å; Y6-Y98 PolarHBondContact O-N 3.4Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å
7F98.8Very high96.8Very high83 Ų8354.9 Ų54.936%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-120.7117.1177.2-57.6-94.2000109R5 A23 V24 Y26 T96 M97R5-F7 HydrophobicContact CB-CD2 4.35Å; R5-F7 HydrophobicContact CB-CE2 3.55Å; R5-F7 HydrophobicContact CB-CZ 3.84Å; R5-F7 HydrophobicContact CG-CZ 4.44Å; F7-A23 WeakPolarHBondContact O-CA 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.34Å; F7-V24 PolarHBondContact N-O 2.62Å; F7-V24 PolarHBondContact O-N 2.99Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-T96 WeakPolarHBondContact CA-O 3.49Å; F7-M97 HydrophobicContact CD1-CB 4.07Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.21Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å
8Y98.7Very high96.6Very high5 Ų556.7 Ų56.72%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-111.5137.2178.6-60.9-13.4000109.8Y6 F21 I22 A23 Y66 N69 Y73 Q95 T96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.21Å; Y6-Y8 HydrophobicContact CG-CE1 4.44Å; Y8-F21 HydrophobicContact CD1-CZ 4.17Å; Y8-F21 HydrophobicContact CD2-CE2 4.26Å; Y8-F21 AromaticContact CD2-CZ 3.98Å; Y8-F21 HydrophobicContact CD2-CZ 3.98Å; Y8-F21 HydrophobicContact CE2-CZ 4.46Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; Y8-I22 WeakPolarHBondContact CA-O 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.36Å; Y8-A23 HydrophobicContact CG-CB 4.29Å; Y8-Y66 HydrophobicContact CE1-CD1 4.37Å; Y8-Y66 AromaticContact CE1-CE1 3.93Å; Y8-Y66 HydrophobicContact CE1-CE1 3.93Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.46Å; Y8-N69 WeakPolarHBondContact CE2-ND2 3.26Å; Y8-Y73 HydrophobicContact CD2-CE2 4.28Å; Y8-Y73 AromaticContact CD2-CZ 3.95Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.42Å; Y8-Q95 CarbonylContact O-C 3.53Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.46Å; Y8-T96 PolarHBondContact N-O 3.02Å; Y8-T96 PolarHBondContact O-N 3.29Å; Y8-Y98 HydrophobicContact CD2-CE1 4.1Å; Y8-Y98 HydrophobicContact CE1-CE1 4.3Å; Y8-Y98 AromaticContact CE2-CE1 3.49Å; Y8-Y98 HydrophobicContact CE2-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CE2-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.28Å
9T98.7Very high96.6Very high40 Ų4054.7 Ų54.725%0.24531%0.31CS..EExtended strand (participates in β ladder)trans-133.2118.1176.2-55.20000108.8M11 F21 I22 T93 Q95T9-M11 HydrophobicContact CG2-CG 3.85Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; T9-I22 PolarHBondContact N-O 3.28Å; T9-I22 PolarHBondContact O-N 3.29Å; T9-T93 HydrophobicContact CG2-CG2 4.1Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å
10A98.3Very high96.7Very high2 Ų255.7 Ų55.72%0.01731%0.308CS..EExtended strand (participates in β ladder)trans-108.7128.5167.500000110.1R20 F21 Y73 L77 T93 W94A10-R20 CarbonylContact C-O 3.54Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.38Å; A10-F21 HydrophobicContact CB-CD2 4.3Å; A10-Y73 HydrophobicContact CB-CD2 3.79Å; A10-Y73 HydrophobicContact CB-CG 4.27Å; A10-L77 HydrophobicContact CB-CD1 3.96Å; A10-T93 WeakPolarHBondContact O-CA 3.09Å; A10-W94 HydrophobicContact CB-CB 4.47Å; A10-W94 PolarHBondContact N-O 3.31Å; A10-W94 PolarHBondContact O-N 3.44Å
11M98.2Very high96.8Very high70 Ų7053.1 Ų53.135%0.34529%0.294SS..EExtended strand (participates in β ladder)trans-123.5117.6-179.3-53.8-179.6-48.700109.5T9 P19 R20 H92 T93T9-M11 HydrophobicContact CG2-CG 3.85Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.44Å; M11-P19 WeakPolarHBondContact O-CB 3.39Å; M11-R20 PolarHBondContact N-O 3.13Å; M11-R20 PolarHBondContact O-N 3.32Å; M11-H92 WeakPolarHBondContact CA-O 3.37Å; M11-T93 HydrophobicContact CG-CG2 4.39Å
12S97.4Very high97Very high17 Ų1750.6 Ų50.612%0.11927%0.273CS..  trans-69.5152170.974.20000110.2S91 H92S12-S91 PolarHBondContact O-OG 3.24Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 2.96Å; S12-H92 PolarHBondContact OG-O 3.28Å
13R95.8Very high97Very high76 Ų7648.4 Ų48.429%0.28726%0.263SS..  trans-146.471.318050.8174.2175.3-161.2-8.1110.6G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.08Å; R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.48Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 3.37Å; R13-R16 PolarHBondContact O-N 3.05Å; R13-E18 PolarHBondContact NE-O 3.39Å; R13-E18 PolarHBondContact NH2-O 3.17Å; R13-E18 VanDerWaalsContact NH2-O 3.12Å; R13-D38 IonicContact CZ-OD1 3.66Å; R13-D38 IonicContact CZ-OD2 3.88Å; R13-D38 IonicContact NH1-OD1 3.14Å; R13-D38 IonicContact NH1-OD2 2.66Å; R13-D38 PolarHBondContact NH1-OD2 3.33Å; R13-D38 IonicContact NH2-OD1 2.62Å; R13-D38 PolarHBondContact NH2-OD1 3.01Å; R13-D38 IonicContact NH2-OD2 2.85Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å
14P92.6Very high97Very high59 Ų5948.6 Ų48.638%0.38326%0.263SS..THydrogen-bonded Turntrans-49.5132.2-176-26.935000112.2R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.84Å; P14-E88 WeakPolarHBondContact CB-O 3.38Å; P14-E88 WeakPolarHBondContact CG-O 3.22Å; P14-G90 WeakPolarHBondContact CG-O 3.48Å
15G92.4Very high97Very high89 Ų8948.6 Ų48.692%0.91826%0.263SS*.THydrogen-bonded Turntrans76.6-0.2-177.100000115.9R13R13-G15 PolarHBondContact O-N 3.08Å
16R94.1Very high97Very high211 Ų21149.7 Ų49.780%0.79627%0.267SS*.SBendtrans-124.524.5178.7-58.9-174.8-177.8176.51.1113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.19Å; R13-R16 WeakPolarHBondContact CD-O 3.48Å; R13-R16 HydrophobicContact CG-CB 4.24Å; R13-R16 PolarHBondContact NE-O 3.37Å; R13-R16 PolarHBondContact O-N 3.05Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.84Å
17G92.1Very high97Very high58 Ų5849.1 Ų49.160%0.59827%0.265SS*.SBendtrans96.9-165.3179.300000113.9
18E94.6Very high97Very high86 Ų8646.8 Ų46.840%0.40226%0.256SS..SBendtrans-70.3157.9-178.8-70.3-63.616200112.3R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.39Å; R13-E18 PolarHBondContact NH2-O 3.17Å; R13-E18 VanDerWaalsContact NH2-O 3.12Å; E18-R20 PolarHBondContact O-N 2.84Å; E18-R74 WeakPolarHBondContact OE2-CD 3.2Å; E18-R74 IonicContact OE2-CZ 3.24Å; E18-R74 IonicContact OE2-NE 2.69Å; E18-R74 PolarHBondContact OE2-NE 3.44Å; E18-R78 IonicContact OE2-NH2 2.8Å
19P96.4Very high97Very high20 Ų2049.5 Ų49.513%0.1327%0.271CS..PPolyproline II helixtrans-53.2134.4174.7-25.934.5000112.1M11 R74 L77M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.44Å; M11-P19 WeakPolarHBondContact O-CB 3.39Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.19Å; P19-L77 HydrophobicContact CB-CD1 3.74Å; P19-L77 HydrophobicContact CG-CD1 3.92Å
20R98Very high97Very high73 Ų7348.3 Ų48.328%0.27526%0.264SS..EExtended strand (participates in β ladder)trans-79.2132.3173.6-177.1-178.6-175.5-180-2.6109A10 M11 E18 I22 D36 D38A10-R20 CarbonylContact C-O 3.54Å; A10-R20 VanDerWaalsContact CA-O 3.27Å; A10-R20 WeakPolarHBondContact CA-O 3.38Å; M11-R20 PolarHBondContact N-O 3.13Å; M11-R20 PolarHBondContact O-N 3.32Å; E18-R20 PolarHBondContact O-N 2.84Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; R20-D36 IonicContact CZ-OD1 2.75Å; R20-D36 IonicContact CZ-OD2 3.24Å; R20-D36 IonicContact NE-OD1 3.85Å; R20-D36 PolarHBondContact NE-OD1 2.96Å; R20-D36 IonicContact NE-OD2 3.57Å; R20-D36 IonicContact NH2-OD1 3.68Å; R20-D36 PolarHBondContact NH2-OD1 2.77Å; R20-D36 IonicContact NH2-OD2 2.81Å; R20-D36 PolarHBondContact NH2-OD2 3.06Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.07Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 3.6Å
21F98.6Very high97Very high2 Ų250.8 Ų50.81%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-113.8127175.1177.3-95.8000110.1Y8 T9 A10 A23 F35 S37 Y66 N69 T70 Y73Y8-F21 HydrophobicContact CD1-CZ 4.17Å; Y8-F21 HydrophobicContact CD2-CE2 4.26Å; Y8-F21 AromaticContact CD2-CZ 3.98Å; Y8-F21 HydrophobicContact CD2-CZ 3.98Å; Y8-F21 HydrophobicContact CE2-CZ 4.46Å; Y8-F21 HydrophobicContact CG-CE2 4.09Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; A10-F21 HydrophobicContact CB-CD2 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 3.98Å; F21-F35 AromaticContact CD1-CD1 3.74Å; F21-F35 HydrophobicContact CD1-CD1 3.74Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.31Å; F21-S37 PolarHBondContact N-OG 2.97Å; F21-S37 PolarHBondContact O-N 3.49Å; F21-S37 PolarHBondContact O-OG 2.96Å; F21-Y66 HydrophobicContact CE1-CD1 4.39Å; F21-N69 HydrophobicContact CE1-CB 4.4Å; F21-N69 HydrophobicContact CE2-CB 4.15Å; F21-N69 HydrophobicContact CZ-CB 3.8Å; F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 VanDerWaalsContact CD1-OG1 3.28Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.4Å; F21-Y73 AromaticContact CD2-CD2 3.9Å; F21-Y73 HydrophobicContact CD2-CD2 3.9Å; F21-Y73 HydrophobicContact CD2-CG 4.24Å; F21-Y73 AromaticContact CE2-CD2 3.66Å; F21-Y73 HydrophobicContact CE2-CD2 3.66Å; F21-Y73 AromaticContact CE2-CE2 3.91Å; F21-Y73 HydrophobicContact CE2-CE2 3.91Å; F21-Y73 HydrophobicContact CE2-CG 4.09Å
22I98.7Very high97Very high42 Ų4247.5 Ų47.522%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-123134.2174.9-57.4174.4000107.6Y8 T9 R20 V24 F35Y8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 3.28Å; T9-I22 PolarHBondContact O-N 3.29Å; R20-I22 HydrophobicContact CG-CG1 4.27Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.36Å
23A98.8Very high97.1Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-126.9136.3171.700000110F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.34Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.36Å; Y8-A23 HydrophobicContact CG-CB 4.29Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 3.98Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.01Å; A23-F35 PolarHBondContact O-N 3.48Å; A23-Y66 HydrophobicContact CB-CD1 3.77Å; A23-Y66 HydrophobicContact CB-CE1 3.74Å
24V98.9Very high97.2Very high29 Ų2947 Ų4718%0.17626%0.255CS..EExtended strand (participates in β ladder)trans-132.7144.3172.2-63.10000109.8Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.34Å; F7-V24 PolarHBondContact N-O 2.62Å; F7-V24 PolarHBondContact O-N 2.99Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.3Å
25G98.8Very high97.5Very high0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-120.2139.3176.900000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; G25-Q31 WeakPolarHBondContact O-CA 3.39Å; G25-F32 WeakPolarHBondContact O-CD1 3.28Å; G25-F32 PolarHBondContact O-N 3.25Å; G25-V33 PolarHBondContact N-O 3.47Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 2.91Å
26Y98.9Very high97.8Very high70 Ų7040.7 Ų40.728%0.27520%0.197SC..EExtended strand (participates in β ladder)trans-126.4142.4179.5-77-102.1000110.9M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.55Å; M4-Y26 WeakPolarHBondContact CA-O 3.48Å; R5-Y26 PolarHBondContact N-O 3.48Å; R5-Y26 PolarHBondContact O-N 3.09Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; V24-Y26 HydrophobicContact CB-CE2 4.08Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.08Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å
27V98.8Very high98Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-110.8117.7156.31770000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.52Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.21Å; V27-T30 PolarHBondContact N-O 3Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.07Å; V27-F32 HydrophobicContact CG2-CD1 4.1Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; V27-W50 HydrophobicContact CB-CH2 4.43Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4.15Å; V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å
28D98.4Very high98.3Very high33 Ų3332.4 Ų32.418%0.17616%0.157CC..THydrogen-bonded Turntrans48.4-125.6-166.1-51.7-41.9000110.7H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.49Å; H2-D28 IonicContact CE1-OD2 3.21Å; H2-D28 IonicContact CG-OD2 3.77Å; H2-D28 IonicContact ND1-OD1 2.69Å; H2-D28 IonicContact ND1-OD2 2.73Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; S3-D28 PolarHBondContact N-OD1 2.91Å; S3-D28 PolarHBondContact O-N 2.86Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D98.4Very high98.4Very high62 Ų6230 Ų3033%0.33215%0.151SC..THydrogen-bonded Turntrans-91.211.4178.3-62.9-49.6000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.21Å; D29-Y208 HydrophobicContact CB-CE2 3.81Å; D29-P209 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 WeakPolarHBondContact OD2-CB 3.38Å; D29-A210 PolarHBondContact OD2-N 3.37Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.8Å
30T98.6Very high98.4Very high15 Ų1534.6 Ų34.69%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-106.1111.4-177.8-58.20000111.3Y26 V27 D28 F32 A48 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.48Å; V27-T30 PolarHBondContact N-O 3Å; V27-T30 WeakPolarHBondContact O-CB 3.44Å; V27-T30 PolarHBondContact O-N 3.07Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 3.4Å; T30-A48 HydrophobicContact CG2-CB 4.5Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.5Å; T30-Y208 PolarHBondContact OG1-OH 3.27Å; T30-R238 PolarHBondContact OG1-NE 2.93Å
31Q98.6Very high98.4Very high55 Ų5534.9 Ų34.926%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-67130.8172.5-167.8-179.3-300110.2V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.39Å; Y26-Q31 HydrophobicContact CD1-CB 4.06Å; Y26-Q31 HydrophobicContact CD2-CG 4.4Å; Y26-Q31 HydrophobicContact CE1-CB 3.56Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.08Å; Y26-Q31 HydrophobicContact CE2-CG 3.89Å; Q31-V33 PolarHBondContact NE2-O 3.29Å; Q31-R47 HydrophobicContact CG-CB 4.18Å; Q31-R47 HydrophobicContact CG-CG 4.45Å
32F98.7Very high98.3Very high0 Ų036.4 Ų36.40%021%0.214CC..EExtended strand (participates in β ladder)trans-121.4-22.4-179.675.3-83.2000114.4M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; Y6-F32 HydrophobicContact CE1-CZ 4.12Å; Y6-F32 AromaticContact CZ-CZ 3.86Å; G25-F32 WeakPolarHBondContact O-CD1 3.28Å; G25-F32 PolarHBondContact O-N 3.25Å; V27-F32 HydrophobicContact CG2-CD1 4.1Å; V27-F32 HydrophobicContact CG2-CE1 4.13Å; T30-F32 PolarHBondContact O-N 3.4Å; F32-R47 PolarHBondContact O-N 2.92Å; F32-A48 HydrophobicContact CB-CB 4.07Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.91Å; F32-W50 AromaticContact CD1-CH2 4Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.77Å; F32-W50 HydrophobicContact CD2-CH2 3.77Å; F32-W50 AromaticContact CD2-CZ3 3.99Å; F32-W50 HydrophobicContact CD2-CZ3 3.99Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.11Å; F32-W50 HydrophobicContact CG-CZ3 4.08Å; F32-V51 HydrophobicContact CB-CG1 4.43Å; F32-V51 HydrophobicContact CD2-CB 4.39Å; F32-V51 HydrophobicContact CD2-CG2 4.11Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 2.97Å; F32-Y170 HydrophobicContact CD2-CE2 4.42Å; F32-Y170 HydrophobicContact CE2-CD2 4.34Å; F32-Y170 AromaticContact CE2-CE2 3.65Å; F32-Y170 HydrophobicContact CE2-CE2 3.65Å; F32-Y170 AromaticContact CE2-CZ 3.87Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å
33V98.7Very high98.3Very high1 Ų141.4 Ų41.41%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-139.3153.8176.9-71.90000112.7Y6 V24 G25 Q31 E45 W59Y6-V33 HydrophobicContact CE1-CG2 4.01Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; G25-V33 PolarHBondContact N-O 3.47Å; G25-V33 VanDerWaalsContact N-O 3.1Å; G25-V33 PolarHBondContact O-N 2.91Å; Q31-V33 PolarHBondContact NE2-O 3.29Å; V33-E45 WeakPolarHBondContact CA-O 3.21Å; V33-W59 HydrophobicContact CG1-CH2 3.95Å; V33-W59 HydrophobicContact CG1-CZ3 3.84Å
34R98.6Very high98.3Very high83 Ų8341.7 Ų41.731%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-139.6148169.2179.4175.6170.7-179.3-3.7111A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.3Å; R34-D36 IonicContact CZ-OD2 2.9Å; R34-D36 IonicContact NH2-OD2 2.79Å; R34-D36 PolarHBondContact NH2-OD2 2.65Å; R34-E45 PolarHBondContact N-O 2.93Å; R34-E45 PolarHBondContact O-N 3.31Å; R34-R47 HydrophobicContact CB-CG 3.99Å
35F98.8Very high98.2Very high2 Ų243 Ų431%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-135.4143.7162.3175.6-83000109.1F21 I22 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.74Å; F21-F35 HydrophobicContact CD1-CD1 3.74Å; F21-F35 AromaticContact CD1-CE1 3.8Å; F21-F35 HydrophobicContact CD1-CE1 3.8Å; F21-F35 AromaticContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CD1 3.98Å; F21-F35 HydrophobicContact CE1-CE1 4.31Å; I22-F35 WeakPolarHBondContact CA-O 3.36Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.01Å; A23-F35 PolarHBondContact O-N 3.48Å; F35-P42 HydrophobicContact CE2-CB 3.83Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.39Å; F35-Y66 HydrophobicContact CB-CD1 4.37Å; F35-Y66 HydrophobicContact CB-CD2 3.56Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.77Å; F35-Y66 HydrophobicContact CD1-CG 4.32Å; F35-Y66 VanDerWaalsContact CD2-CB 3.49Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.92Å; F35-Y66 HydrophobicContact CD2-CG 3.92Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.78Å; F35-Y66 HydrophobicContact CG-CD2 3.78Å; F35-Y66 AromaticContact CG-CG 3.75Å; F35-Y66 HydrophobicContact CG-CG 3.75Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.05Å
36D98.6Very high98.2Very high13 Ų1345.3 Ų45.37%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-140.7118.9177.8-163.3-26.1000109.4R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.75Å; R20-D36 IonicContact CZ-OD2 3.24Å; R20-D36 IonicContact NE-OD1 3.85Å; R20-D36 PolarHBondContact NE-OD1 2.96Å; R20-D36 IonicContact NE-OD2 3.57Å; R20-D36 IonicContact NH2-OD1 3.68Å; R20-D36 PolarHBondContact NH2-OD1 2.77Å; R20-D36 IonicContact NH2-OD2 2.81Å; R20-D36 PolarHBondContact NH2-OD2 3.06Å; R34-D36 IonicContact CZ-OD2 2.9Å; R34-D36 IonicContact NH2-OD2 2.79Å; R34-D36 PolarHBondContact NH2-OD2 2.65Å; D36-D38 PolarHBondContact O-N 3.06Å; D36-D38 PolarHBondContact OD1-N 3.26Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 3.23Å
37S98.2Very high98.2Very high27 Ų2747.5 Ų47.519%0.18926%0.26CS..THydrogen-bonded Turntrans-65.2-22.2-178.968.20000113.2F21 P42F21-S37 PolarHBondContact N-OG 2.97Å; F21-S37 PolarHBondContact O-N 3.49Å; F21-S37 PolarHBondContact O-OG 2.96Å; S37-P42 WeakPolarHBondContact O-CG 3.49Å
38D97.6Very high98.1Very high68 Ų6847.7 Ų47.736%0.36426%0.262SS..THydrogen-bonded Turntrans-88-2.9-179.9-77.77.6000113R13 R20 D36R13-D38 IonicContact CZ-OD1 3.66Å; R13-D38 IonicContact CZ-OD2 3.88Å; R13-D38 IonicContact NH1-OD1 3.14Å; R13-D38 IonicContact NH1-OD2 2.66Å; R13-D38 PolarHBondContact NH1-OD2 3.33Å; R13-D38 IonicContact NH2-OD1 2.62Å; R13-D38 PolarHBondContact NH2-OD1 3.01Å; R13-D38 IonicContact NH2-OD2 2.85Å; R13-D38 PolarHBondContact NH2-OD2 2.86Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.07Å; R20-D38 HydrophobicContact CG-CB 4.37Å; R20-D38 IonicContact NE-OD2 3.6Å; D36-D38 PolarHBondContact O-N 3.06Å; D36-D38 PolarHBondContact OD1-N 3.26Å
39A97.4Very high98.1Very high35 Ų3551.1 Ų51.129%0.28929%0.286SS..SBendtrans-63.4149.5173.100000110.9D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact O-CB 3.4Å; D36-A39 PolarHBondContact O-N 3.23Å; A39-S41 PolarHBondContact O-N 2.81Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 VanDerWaalsContact O-CD 3.29Å; A39-P42 WeakPolarHBondContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CG 3.36Å
40A97.3Very high98Very high117 Ų11749 Ų4997%0.96727%0.273SS*.SBendtrans-58.2-31.8179.100000112.9
41S97Very high98Very high79 Ų7948.3 Ų48.355%0.55227%0.269SS*.SBendtrans-134.491.6171.4-168.90000109A39 R43A39-S41 PolarHBondContact O-N 2.81Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 2.87Å
42P97.5Very high97.9Very high33 Ų3351.6 Ų51.621%0.21428%0.284CS..  trans-66.8116.4-174.2-2334.8000112.1F35 S37 A39 K67F35-P42 HydrophobicContact CE2-CB 3.83Å; F35-P42 HydrophobicContact CZ-CB 3.68Å; S37-P42 WeakPolarHBondContact O-CG 3.49Å; A39-P42 VanDerWaalsContact O-CD 3.29Å; A39-P42 WeakPolarHBondContact O-CD 3.22Å; A39-P42 WeakPolarHBondContact O-CG 3.36Å; P42-K67 VanDerWaalsContact O-CE 3.22Å; P42-K67 WeakPolarHBondContact O-CE 3.35Å
43R98Very high97.8Very high148 Ų14857 Ų5756%0.55831%0.309SS*.  trans-148.8159.8179.162.6-176.4167.1-178.1-3.1111.2F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.48Å; F35-R43 WeakPolarHBondContact CD2-O 3.39Å; S41-R43 PolarHBondContact O-N 2.87Å; R43-E45 HydrophobicContact CG-CG 4.13Å; R43-E45 PolarHBondContact O-N 2.87Å; R43-T63 HydrophobicContact CB-CG2 4.17Å
44G97.7Very high97.7Very high6 Ų657.5 Ų57.56%0.06231%0.312CS..  trans-66.4126.8167.200000109.3T63G44-T63 PolarHBondContact N-OG1 2.91Å
45E98.1Very high97.7Very high55 Ų5554.9 Ų54.926%0.25731%0.311SS..EExtended strand (participates in β ladder)trans-117.4134.4-177.5-64.3178156.200110.1V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.21Å; R34-E45 PolarHBondContact N-O 2.93Å; R34-E45 PolarHBondContact O-N 3.31Å; R43-E45 HydrophobicContact CG-CG 4.13Å; R43-E45 PolarHBondContact O-N 2.87Å; E45-R47 IonicContact OE2-CZ 3.48Å; E45-R47 IonicContact OE2-NH2 3.56Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
46P98.3Very high97.6Very high49 Ų4958.8 Ų58.832%0.31834%0.336SS..EExtended strand (participates in β ladder)trans-66.2143.8173.428.6-33.9000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.85Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.88Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.35Å
47R98.3Very high97.5Very high117 Ų11764.8 Ų64.844%0.44236%0.364SS..  trans-128.6-0.1174.9-60.5-64.2172.7-175.7-0.7113.1Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.18Å; Q31-R47 HydrophobicContact CG-CG 4.45Å; F32-R47 PolarHBondContact O-N 2.92Å; R34-R47 HydrophobicContact CB-CG 3.99Å; E45-R47 IonicContact OE2-CZ 3.48Å; E45-R47 IonicContact OE2-NH2 3.56Å; E45-R47 PolarHBondContact OE2-NH2 3.28Å
48A97.5Very high97.5Very high4 Ų464.4 Ų64.43%0.03336%0.358CS..SBendtrans-138.3143.7172.800000110.7T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.5Å; F32-A48 HydrophobicContact CB-CB 4.07Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.07Å; A48-V51 WeakPolarHBondContact O-CG1 3.47Å; A48-V51 PolarHBondContact O-N 2.84Å
49P97.5Very high97.6Very high105 Ų10563 Ų6368%0.68235%0.348SS*.Hα-helixtrans-58.7-37.4-176.8-26.734.9000114V51 E52P49-V51 PolarHBondContact O-N 2.84Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.48Å; P49-E52 VanDerWaalsContact O-N 3.08Å
50W97.6Very high97.6Very high18 Ų1866.3 Ų66.37%0.06836%0.361CS..Hα-helixtrans-70.1-13.1-17552.6-106.9000114.5V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.43Å; V27-W50 HydrophobicContact CB-CZ2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.87Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.37Å; F32-W50 HydrophobicContact CB-CZ3 3.91Å; F32-W50 AromaticContact CD1-CH2 4Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.77Å; F32-W50 HydrophobicContact CD2-CH2 3.77Å; F32-W50 AromaticContact CD2-CZ3 3.99Å; F32-W50 HydrophobicContact CD2-CZ3 3.99Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.11Å; F32-W50 HydrophobicContact CG-CZ3 4.08Å; A48-W50 VanDerWaalsContact C-N 3.3Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.41Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.07Å; W50-Q53 WeakPolarHBondContact O-CG 3.4Å; W50-Q53 PolarHBondContact O-NE2 3.32Å; W50-Y170 HydrophobicContact CE3-CD1 4.14Å; W50-Y170 HydrophobicContact CE3-CG 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD2 4.19Å; W50-Y170 HydrophobicContact CZ3-CE1 4.21Å; W50-Y170 AromaticContact CZ3-CG 3.53Å; W50-Y170 HydrophobicContact CZ3-CG 3.53Å; W50-N173 HydrophobicContact CB-CB 4.45Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.84Å; W50-L178 HydrophobicContact CZ2-CD2 4.15Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å
51V97.8Very high97.6Very high0 Ų068.3 Ų68.30%034%0.344CS..Hα-helixtrans-93.9-15.6172.872.50000112.2F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CB-CG1 4.43Å; F32-V51 HydrophobicContact CD2-CB 4.39Å; F32-V51 HydrophobicContact CD2-CG2 4.11Å; F32-V51 VanDerWaalsContact O-CG1 3.29Å; F32-V51 WeakPolarHBondContact O-CG1 2.97Å; P46-V51 HydrophobicContact CB-CG1 3.85Å; A48-V51 WeakPolarHBondContact O-CG1 3.47Å; A48-V51 PolarHBondContact O-N 2.84Å; P49-V51 PolarHBondContact O-N 2.84Å; V51-Q53 PolarHBondContact O-N 3.23Å; V51-E54 HydrophobicContact CG2-CG 3.88Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.44Å; V51-E54 PolarHBondContact O-N 3.07Å; V51-Y58 HydrophobicContact CG2-CE1 4.07Å; V51-W59 HydrophobicContact CG1-CH2 4.01Å; V51-W59 HydrophobicContact CG1-CZ2 4.28Å; V51-W59 HydrophobicContact CG2-CH2 3.93Å; V51-W59 HydrophobicContact CG2-CZ2 4.01Å; V51-W59 WeakPolarHBondContact O-CZ2 3.4Å; V51-Y170 HydrophobicContact CG2-CE1 4.42Å
52E96.8Very high97.6Very high123 Ų12365.6 Ų65.658%0.57532%0.323SS*.Hα-helixtrans-64.5-24.7-179.1-65.7179.7-174.500113P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P49-E52 WeakPolarHBondContact O-CB 3.3Å; P49-E52 PolarHBondContact O-N 3.48Å; P49-E52 VanDerWaalsContact O-N 3.08Å; E52-E54 PolarHBondContact O-N 3.4Å
53Q96.1Very high97.7Very high113 Ų11364.6 Ų64.653%0.52832%0.316SS..THydrogen-bonded Turntrans-71.3-10.9174.966.6-177.7-22.300114.1W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.4Å; W50-Q53 PolarHBondContact O-NE2 3.32Å; V51-Q53 PolarHBondContact O-N 3.23Å; Q53-N173 PolarHBondContact NE2-ND2 3Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.19Å
54E97.8Very high97.7Very high12 Ų1263.2 Ų63.26%0.05632%0.316CS..SBendtrans-66.9136.5175.4-62.3-59.8163.600110.6V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.88Å; V51-E54 WeakPolarHBondContact O-CB 3.49Å; V51-E54 WeakPolarHBondContact O-CG 3.44Å; V51-E54 PolarHBondContact O-N 3.07Å; E52-E54 PolarHBondContact O-N 3.4Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 4.07Å; E54-Y58 HydrophobicContact CG-CE1 4.27Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; E54-W59 PolarHBondContact O-NE1 3.18Å; E54-R169 IonicContact OE1-CZ 2.98Å; E54-R169 IonicContact OE1-NE 3.71Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.77Å; E54-R169 PolarHBondContact OE1-NH2 3.21Å; E54-R169 IonicContact OE2-CZ 3.59Å; E54-R169 IonicContact OE2-NE 3.67Å; E54-R169 PolarHBondContact OE2-NE 3.49Å; E54-R169 IonicContact OE2-NH2 2.74Å; E54-R169 PolarHBondContact OE2-NH2 3.1Å; E54-N173 PolarHBondContact OE1-ND2 3.33Å
55G97Very high97.7Very high29 Ų2965.9 Ų65.930%0.29933%0.328SS..  trans-67.5167.8-175.200000114.2E57 Y58 W59G55-E57 PolarHBondContact O-N 3.11Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3.4Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.85Å
56P97.4Very high97.7Very high83 Ų8363.3 Ų63.354%0.53932%0.316SS..Hα-helixtrans-57.6-33.1-179.523.9-32.9000112.8Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.04Å; P56-W59 PolarHBondContact O-N 3.17Å; P56-W59 VanDerWaalsContact O-N 3.15Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.85Å
57E97.7Very high97.6Very high140 Ų14065.1 Ų65.165%0.65432%0.319SS*.Hα-helixtrans-62.4-35.3179-58.778.9-17300112.1G55 R61G55-E57 PolarHBondContact O-N 3.11Å; E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 PolarHBondContact O-N 2.97Å
58Y97.9Very high97.6Very high18 Ų1862.2 Ų62.27%0.07132%0.32CS..Hα-helixtrans-65-47.8174.8169.3-92.4000110.6V51 E54 G55 P56 N62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.07Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 4.07Å; E54-Y58 HydrophobicContact CG-CE1 4.27Å; E54-Y58 HydrophobicContact CG-CG 4.21Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3.4Å; G55-Y58 VanDerWaalsContact O-N 3.08Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.04Å; Y58-N62 VanDerWaalsContact CD2-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.38Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.16Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.3Å; Y58-W166 AromaticContact CD2-CH2 3.41Å; Y58-W166 HydrophobicContact CD2-CH2 3.41Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.41Å; Y58-W166 AromaticContact CD2-CZ2 3.98Å; Y58-W166 HydrophobicContact CD2-CZ2 3.98Å; Y58-W166 AromaticContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CE2-CE3 4.32Å; Y58-W166 AromaticContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CG-CH2 4.46Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.37Å; Y58-Y170 PolarHBondContact OH-OH 3.15Å
59W98.3Very high97.5Very high40 Ų4063.7 Ų63.715%0.15233%0.327CS..Hα-helixtrans-67.9-41.6-178.2-66.1111.9000112.5V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 3.95Å; V33-W59 HydrophobicContact CG1-CZ3 3.84Å; P46-W59 HydrophobicContact CB-CH2 3.66Å; P46-W59 HydrophobicContact CB-CZ2 3.88Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.35Å; V51-W59 HydrophobicContact CG1-CH2 4.01Å; V51-W59 HydrophobicContact CG1-CZ2 4.28Å; V51-W59 HydrophobicContact CG2-CH2 3.93Å; V51-W59 HydrophobicContact CG2-CZ2 4.01Å; V51-W59 WeakPolarHBondContact O-CZ2 3.4Å; E54-W59 PolarHBondContact O-NE1 3.18Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.85Å; P56-W59 PolarHBondContact O-N 3.17Å; P56-W59 VanDerWaalsContact O-N 3.15Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 2.76Å; W59-T63 PolarHBondContact O-OG1 2.61Å
60D98.1Very high97.4Very high104 Ų10459.3 Ų59.356%0.55630%0.299SS*.Hα-helixtrans-65.1-48.8177.3-75.3-19.9000110.7P56 N62 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.85Å; D60-N62 PolarHBondContact O-N 2.94Å; D60-T63 PolarHBondContact O-N 3.05Å; D60-Q64 WeakPolarHBondContact O-CG 3.15Å; D60-Q64 PolarHBondContact O-N 2.66Å
61R97.7Very high97.3Very high159 Ų15962.6 Ų62.660%0.632%0.315SS*.Hα-helixtrans-57.6-50.8177.7-179.8-178.3173.7-173.9-1.8111.6E57 T63 Q64 I65E57-R61 WeakPolarHBondContact O-CB 3.42Å; E57-R61 PolarHBondContact O-N 2.97Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.49Å; R61-Q64 PolarHBondContact O-N 3.37Å; R61-I65 HydrophobicContact CG-CD1 4.09Å; R61-I65 WeakPolarHBondContact O-CG1 3.21Å; R61-I65 PolarHBondContact O-N 2.83Å
62N97.4Very high97.2Very high22 Ų2265.9 Ų65.912%0.11834%0.335CS..Hα-helixtrans-66-38-179.3-77.7-72.3000111.9Y58 D60 Q64 I65 Y66Y58-N62 VanDerWaalsContact CD2-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.38Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.16Å; Y58-N62 WeakPolarHBondContact O-CB 3.44Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.3Å; D60-N62 PolarHBondContact O-N 2.94Å; N62-Q64 VanDerWaalsContact C-N 3.32Å; N62-Q64 PolarHBondContact O-N 3.21Å; N62-I65 WeakPolarHBondContact O-CB 3.23Å; N62-I65 PolarHBondContact O-N 3.14Å; N62-Y66 HydrophobicContact CB-CE2 4.04Å; N62-Y66 WeakPolarHBondContact O-CD2 3.36Å; N62-Y66 PolarHBondContact O-N 2.89Å
63T98.4Very high97.1Very high11 Ų1160.9 Ų60.97%0.06731%0.311CS..Hα-helixtrans-59.2-43.2174-65.50000111.8R43 G44 W59 D60 R61 Y66 K67R43-T63 HydrophobicContact CB-CG2 4.17Å; G44-T63 PolarHBondContact N-OG1 2.91Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 2.76Å; W59-T63 PolarHBondContact O-OG1 2.61Å; D60-T63 PolarHBondContact O-N 3.05Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 3.49Å; T63-Y66 PolarHBondContact O-N 3.44Å; T63-K67 HydrophobicContact CG2-CD 4.13Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 3.14Å
64Q98.2Very high97Very high119 Ų11957.7 Ų57.756%0.55629%0.294SS*.Hα-helixtrans-65.4-39.4175.7-64.5-55.8-27.800112D60 R61 N62 K67 A68D60-Q64 WeakPolarHBondContact O-CG 3.15Å; D60-Q64 PolarHBondContact O-N 2.66Å; R61-Q64 PolarHBondContact O-N 3.37Å; N62-Q64 VanDerWaalsContact C-N 3.32Å; N62-Q64 PolarHBondContact O-N 3.21Å; Q64-K67 PolarHBondContact O-N 2.8Å; Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.81Å
65I97.4Very high96.9Very high63 Ų6362.7 Ų62.732%0.32332%0.317SS..Hα-helixtrans-59.7-47.6174.6-69166.5000110.8R61 N62 K67 A68 N69R61-I65 HydrophobicContact CG-CD1 4.09Å; R61-I65 WeakPolarHBondContact O-CG1 3.21Å; R61-I65 PolarHBondContact O-N 2.83Å; N62-I65 WeakPolarHBondContact O-CB 3.23Å; N62-I65 PolarHBondContact O-N 3.14Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.89Å; I65-A68 PolarHBondContact O-N 3.17Å; I65-N69 WeakPolarHBondContact O-CB 3.42Å; I65-N69 PolarHBondContact O-N 2.81Å; I65-N69 PolarHBondContact O-ND2 2.83Å
66Y98.1Very high96.9Very high1 Ų162.6 Ų62.60%0.00431%0.312CS..Hα-helixtrans-63.9-38.7178.1-62.2-47.5000112.7Y8 F21 A23 F35 N62 T63 N69 T70Y8-Y66 HydrophobicContact CE1-CD1 4.37Å; Y8-Y66 AromaticContact CE1-CE1 3.93Å; Y8-Y66 HydrophobicContact CE1-CE1 3.93Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.46Å; F21-Y66 HydrophobicContact CE1-CD1 4.39Å; A23-Y66 HydrophobicContact CB-CD1 3.77Å; A23-Y66 HydrophobicContact CB-CE1 3.74Å; F35-Y66 HydrophobicContact CB-CD1 4.37Å; F35-Y66 HydrophobicContact CB-CD2 3.56Å; F35-Y66 HydrophobicContact CB-CE2 4.03Å; F35-Y66 HydrophobicContact CB-CG 3.77Å; F35-Y66 HydrophobicContact CD1-CG 4.32Å; F35-Y66 VanDerWaalsContact CD2-CB 3.49Å; F35-Y66 AromaticContact CD2-CD2 3.69Å; F35-Y66 HydrophobicContact CD2-CD2 3.69Å; F35-Y66 AromaticContact CD2-CG 3.92Å; F35-Y66 HydrophobicContact CD2-CG 3.92Å; F35-Y66 VanDerWaalsContact CG-CB 3.5Å; F35-Y66 AromaticContact CG-CD2 3.78Å; F35-Y66 HydrophobicContact CG-CD2 3.78Å; F35-Y66 AromaticContact CG-CG 3.75Å; F35-Y66 HydrophobicContact CG-CG 3.75Å; N62-Y66 HydrophobicContact CB-CE2 4.04Å; N62-Y66 WeakPolarHBondContact O-CD2 3.36Å; N62-Y66 PolarHBondContact O-N 2.89Å; T63-Y66 PolarHBondContact O-N 3.44Å; Y66-N69 PolarHBondContact O-N 3.04Å; Y66-T70 PolarHBondContact O-N 3.11Å; Y66-T70 PolarHBondContact O-OG1 2.71Å
67K97.7Very high96.8Very high87 Ų8759.1 Ų59.138%0.37829%0.289SS..Hα-helixtrans-65.3-40.6175.1-76176.4172.6175.30112.1F35 P42 T63 Q64 I65 T70 Q71F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.05Å; P42-K67 VanDerWaalsContact O-CE 3.22Å; P42-K67 WeakPolarHBondContact O-CE 3.35Å; T63-K67 HydrophobicContact CG2-CD 4.13Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.27Å; T63-K67 PolarHBondContact O-N 3.14Å; Q64-K67 PolarHBondContact O-N 2.8Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.89Å; K67-T70 WeakPolarHBondContact O-CB 3.35Å; K67-T70 PolarHBondContact O-N 3.32Å; K67-Q71 PolarHBondContact O-N 3.46Å
68A97.6Very high96.7Very high55 Ų5558.8 Ų58.846%0.45528%0.282SS..Hα-helixtrans-62.9-47.9173.600000111Q64 I65 T70 Q71 T72Q64-A68 WeakPolarHBondContact O-CB 3.32Å; Q64-A68 PolarHBondContact O-N 2.81Å; I65-A68 PolarHBondContact O-N 3.17Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 2.85Å; A68-Q71 WeakPolarHBondContact O-CB 3.44Å; A68-Q71 PolarHBondContact O-N 3.03Å; A68-T72 PolarHBondContact O-N 3.03Å; A68-T72 PolarHBondContact O-OG1 3.21Å
69N95.6Very high96.6Very high35 Ų3561.8 Ų61.819%0.18730%0.299CS..Hα-helixtrans-59.7-35.8176.9-76.4-26.8000112.7Y8 F21 I65 Y66 Q71 T72 Y73Y8-N69 WeakPolarHBondContact CE2-ND2 3.26Å; F21-N69 HydrophobicContact CE1-CB 4.4Å; F21-N69 HydrophobicContact CE2-CB 4.15Å; F21-N69 HydrophobicContact CZ-CB 3.8Å; I65-N69 WeakPolarHBondContact O-CB 3.42Å; I65-N69 PolarHBondContact O-N 2.81Å; I65-N69 PolarHBondContact O-ND2 2.83Å; Y66-N69 PolarHBondContact O-N 3.04Å; N69-Q71 PolarHBondContact O-N 2.94Å; N69-T72 PolarHBondContact O-N 3.49Å; N69-Y73 VanDerWaalsContact O-CB 3.31Å; N69-Y73 WeakPolarHBondContact O-CB 3.22Å; N69-Y73 VanDerWaalsContact O-CD1 3.22Å; N69-Y73 WeakPolarHBondContact O-CD1 3.25Å; N69-Y73 PolarHBondContact O-N 2.97Å
70T95.5Very high96.5Very high14 Ų1460.1 Ų60.19%0.08629%0.293CS..Hα-helixtrans-56.9-39.7174-58.40000111.6F21 Y66 K67 A68 R74F21-T70 HydrophobicContact CB-CG2 3.93Å; F21-T70 VanDerWaalsContact CD1-OG1 3.28Å; F21-T70 WeakPolarHBondContact CD1-OG1 3.4Å; Y66-T70 PolarHBondContact O-N 3.11Å; Y66-T70 PolarHBondContact O-OG1 2.71Å; K67-T70 WeakPolarHBondContact O-CB 3.35Å; K67-T70 PolarHBondContact O-N 3.32Å; A68-T70 VanDerWaalsContact C-N 3.27Å; A68-T70 PolarHBondContact O-N 2.85Å; T70-R74 WeakPolarHBondContact O-CB 3.5Å; T70-R74 PolarHBondContact O-N 3.31Å
71Q95.8Very high96.5Very high87 Ų8758.3 Ų58.341%0.40728%0.278SS..Hα-helixtrans-74.2-46.4176.9-56.3-55.7-39.600111.6K67 A68 N69 Y73 R74 E75K67-Q71 PolarHBondContact O-N 3.46Å; A68-Q71 WeakPolarHBondContact O-CB 3.44Å; A68-Q71 PolarHBondContact O-N 3.03Å; N69-Q71 PolarHBondContact O-N 2.94Å; Q71-Y73 VanDerWaalsContact C-N 3.26Å; Q71-Y73 PolarHBondContact O-N 3.26Å; Q71-R74 WeakPolarHBondContact O-CB 3.12Å; Q71-R74 PolarHBondContact O-N 2.76Å; Q71-R74 VanDerWaalsContact OE1-CZ 3.32Å; Q71-E75 PolarHBondContact O-N 2.92Å; Q71-E75 VanDerWaalsContact O-N 3.07Å
72T95.1Very high96.4Very high68 Ų6852.9 Ų52.942%0.41727%0.271SS..Hα-helixtrans-57.9-39.5177.7-57.30000112.1A68 N69 E75 S76A68-T72 PolarHBondContact O-N 3.03Å; A68-T72 PolarHBondContact O-OG1 3.21Å; N69-T72 PolarHBondContact O-N 3.49Å; T72-E75 PolarHBondContact O-N 3.11Å; T72-S76 WeakPolarHBondContact O-CB 3.44Å; T72-S76 PolarHBondContact O-N 3.4Å; T72-S76 PolarHBondContact O-OG 3.2Å
73Y93.6Very high96.4Very high19 Ų1954.5 Ų54.58%0.07528%0.276CS..Hα-helixtrans-76.5-31.4-176.8-78.636.2000111Y8 A10 F21 N69 Q71 S76 L77 W94 T96Y8-Y73 HydrophobicContact CD2-CE2 4.28Å; Y8-Y73 AromaticContact CD2-CZ 3.95Å; Y8-Y73 WeakPolarHBondContact CD2-OH 3.42Å; A10-Y73 HydrophobicContact CB-CD2 3.79Å; A10-Y73 HydrophobicContact CB-CG 4.27Å; F21-Y73 AromaticContact CD2-CD2 3.9Å; F21-Y73 HydrophobicContact CD2-CD2 3.9Å; F21-Y73 HydrophobicContact CD2-CG 4.24Å; F21-Y73 AromaticContact CE2-CD2 3.66Å; F21-Y73 HydrophobicContact CE2-CD2 3.66Å; F21-Y73 AromaticContact CE2-CE2 3.91Å; F21-Y73 HydrophobicContact CE2-CE2 3.91Å; F21-Y73 HydrophobicContact CE2-CG 4.09Å; N69-Y73 VanDerWaalsContact O-CB 3.31Å; N69-Y73 WeakPolarHBondContact O-CB 3.22Å; N69-Y73 VanDerWaalsContact O-CD1 3.22Å; N69-Y73 WeakPolarHBondContact O-CD1 3.25Å; N69-Y73 PolarHBondContact O-N 2.97Å; Q71-Y73 VanDerWaalsContact C-N 3.26Å; Q71-Y73 PolarHBondContact O-N 3.26Å; Y73-S76 PolarHBondContact O-N 2.88Å; Y73-L77 WeakPolarHBondContact O-CB 3.42Å; Y73-L77 WeakPolarHBondContact O-CG 3.46Å; Y73-L77 PolarHBondContact O-N 2.88Å; Y73-W94 AromaticContact CD2-CD1 3.38Å; Y73-W94 AromaticContact CE2-CD1 3.53Å; Y73-W94 AromaticContact CE2-NE1 3.83Å; Y73-W94 AromaticContact CG-CD1 3.88Å; Y73-W94 AromaticContact CZ-NE1 4Å; Y73-T96 WeakPolarHBondContact OH-CB 3.43Å; Y73-T96 WeakPolarHBondContact OH-CG2 3.48Å; Y73-T96 PolarHBondContact OH-OG1 3.31Å
74R95Very high96.3Very high45 Ų4557.1 Ų57.117%0.1729%0.286CS..Hα-helixtrans-60.7-46.2169.1178-171.3-60162.75.4111.6E18 P19 T70 Q71 S76 L77 R78E18-R74 WeakPolarHBondContact OE2-CD 3.2Å; E18-R74 IonicContact OE2-CZ 3.24Å; E18-R74 IonicContact OE2-NE 2.69Å; E18-R74 PolarHBondContact OE2-NE 3.44Å; P19-R74 HydrophobicContact CG-CB 4.43Å; P19-R74 HydrophobicContact CG-CG 4.19Å; T70-R74 WeakPolarHBondContact O-CB 3.5Å; T70-R74 PolarHBondContact O-N 3.31Å; Q71-R74 WeakPolarHBondContact O-CB 3.12Å; Q71-R74 PolarHBondContact O-N 2.76Å; Q71-R74 VanDerWaalsContact OE1-CZ 3.32Å; R74-S76 VanDerWaalsContact C-N 3.35Å; R74-L77 PolarHBondContact O-N 3.31Å; R74-R78 WeakPolarHBondContact O-CG 3.23Å; R74-R78 PolarHBondContact O-N 3.21Å
75E95.9Very high96.2Very high117 Ų11758.6 Ų58.655%0.54730%0.297SS..Hα-helixtrans-65-40.7175.4-69.9178-17800111.8Q71 T72 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.92Å; Q71-E75 VanDerWaalsContact O-N 3.07Å; T72-E75 PolarHBondContact O-N 3.11Å; E75-L77 PolarHBondContact O-N 2.69Å; E75-R78 PolarHBondContact O-N 2.95Å; E75-R78 VanDerWaalsContact O-N 3.16Å; E75-N79 PolarHBondContact O-N 2.88Å; E75-N79 PolarHBondContact O-ND2 3.5Å
76S95.7Very high96.2Very high28 Ų2858.4 Ų58.420%0.19630%0.295CS..Hα-helixtrans-59.2-47176.7-58.90000111.4T72 Y73 R74 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.44Å; T72-S76 PolarHBondContact O-N 3.4Å; T72-S76 PolarHBondContact O-OG 3.2Å; Y73-S76 PolarHBondContact O-N 2.88Å; R74-S76 VanDerWaalsContact C-N 3.35Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.85Å; S76-N79 PolarHBondContact O-N 3.18Å; S76-N79 VanDerWaalsContact O-N 3.16Å; S76-L80 WeakPolarHBondContact O-CB 3.34Å; S76-L80 WeakPolarHBondContact O-CD1 3.48Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3.16Å
77L97.1Very high96.1Very high10 Ų1062.3 Ų62.35%0.05232%0.322CS..Hα-helixtrans-58.7-38.1175.6-76.1167.7000112.7A10 P19 Y73 R74 E75 R81 H92 W94 Y117A10-L77 HydrophobicContact CB-CD1 3.96Å; P19-L77 HydrophobicContact CB-CD1 3.74Å; P19-L77 HydrophobicContact CG-CD1 3.92Å; Y73-L77 WeakPolarHBondContact O-CB 3.42Å; Y73-L77 WeakPolarHBondContact O-CG 3.46Å; Y73-L77 PolarHBondContact O-N 2.88Å; R74-L77 PolarHBondContact O-N 3.31Å; E75-L77 PolarHBondContact O-N 2.69Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 3.34Å; L77-H92 HydrophobicContact CD2-CB 4.19Å; L77-W94 HydrophobicContact CD2-CB 3.72Å; L77-W94 HydrophobicContact CG-CB 4.12Å; L77-Y117 HydrophobicContact CD2-CE2 4.06Å
78R95.6Very high95.9Very high133 Ų13364.5 Ų64.550%0.50233%0.334SS..Hα-helixtrans-67.3-43.3175.4-68.9175.6-174167.81111.9E18 R74 E75 S76 G82E18-R78 IonicContact OE2-NH2 2.8Å; R74-R78 WeakPolarHBondContact O-CG 3.23Å; R74-R78 PolarHBondContact O-N 3.21Å; E75-R78 PolarHBondContact O-N 2.95Å; E75-R78 VanDerWaalsContact O-N 3.16Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 2.85Å; R78-G82 PolarHBondContact O-N 2.88Å
79N95.5Very high95.7Very high81 Ų8165.8 Ų65.843%0.43335%0.345SS..Hα-helixtrans-64.4-46.8178.6-70.9-25.1000111.7E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 2.88Å; E75-N79 PolarHBondContact O-ND2 3.5Å; S76-N79 PolarHBondContact O-N 3.18Å; S76-N79 VanDerWaalsContact O-N 3.16Å; N79-R81 PolarHBondContact O-N 2.9Å; N79-G82 WeakPolarHBondContact O-CA 3.38Å; N79-G82 PolarHBondContact O-N 3.47Å; N79-Y83 WeakPolarHBondContact O-CD1 3.47Å; N79-Y83 PolarHBondContact O-N 2.95Å
80L96.6Very high95.6Very high4 Ų465.4 Ų65.42%0.02135%0.349CS..Hα-helixtrans-61-45.6-179.3-70.3160000111.5S76 G82 Y83 Y84 W94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.34Å; S76-L80 WeakPolarHBondContact O-CD1 3.48Å; S76-L80 WeakPolarHBondContact O-CG 3.43Å; S76-L80 PolarHBondContact O-N 3.16Å; L80-G82 PolarHBondContact O-N 3.33Å; L80-Y83 PolarHBondContact O-N 3.16Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.17Å; L80-Y84 PolarHBondContact O-N 3.16Å; L80-W94 HydrophobicContact CD1-CD2 3.71Å; L80-W94 HydrophobicContact CD1-CE3 3.17Å; L80-W94 HydrophobicContact CD1-CG 4.41Å; L80-W94 HydrophobicContact CD1-CH2 3.93Å; L80-W94 HydrophobicContact CD1-CZ2 4.4Å; L80-W94 HydrophobicContact CD1-CZ3 3.31Å; L80-W94 HydrophobicContact CD2-CE3 4.45Å; L80-W94 HydrophobicContact CD2-CH2 4.23Å; L80-W94 HydrophobicContact CD2-CZ3 3.79Å; L80-W94 HydrophobicContact CG-CE3 4.42Å; L80-W94 HydrophobicContact CG-CZ3 4.18Å; L80-Y117 HydrophobicContact CB-CD1 4.46Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 4.08Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CD2 3.68Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.23Å; L80-Y117 HydrophobicContact CD2-CG 4.5Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; L80-Y122 HydrophobicContact CD2-CD2 4.01Å; L80-Y122 HydrophobicContact CD2-CE1 4.04Å; L80-Y122 HydrophobicContact CD2-CE2 3.34Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.33Å
81R96.4Very high95.7Very high67 Ų6768.8 Ų68.825%0.25337%0.373SS..Hα-helixtrans-53.4-40.6173.4-173.6-171.665.3-178.510.1111.8L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 3.34Å; N79-R81 PolarHBondContact O-N 2.9Å; R81-N85 PolarHBondContact O-N 2.75Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.22Å; R81-Q86 PolarHBondContact O-N 3.16Å; R81-E88 IonicContact CZ-OE1 2.86Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.47Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 3.58Å; R81-E88 PolarHBondContact NH2-OE1 3.29Å
82G95.9Very high95.8Very high44 Ų4465.4 Ų65.445%0.45436%0.357SS..Hα-helixtrans-65.7-44.7174.200000113.1R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.88Å; N79-G82 WeakPolarHBondContact O-CA 3.38Å; N79-G82 PolarHBondContact O-N 3.47Å; L80-G82 PolarHBondContact O-N 3.33Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.73Å; G82-N85 PolarHBondContact O-N 2.86Å
83Y96.8Very high95.9Very high57 Ų5764 Ų6422%0.22435%0.348CS..Hα-helixtrans-63.1-35.2179.5-61.9-13.7000112.8N79 L80 I141 K145N79-Y83 WeakPolarHBondContact O-CD1 3.47Å; N79-Y83 PolarHBondContact O-N 2.95Å; L80-Y83 PolarHBondContact O-N 3.16Å; Y83-I141 HydrophobicContact CD1-CD1 4.14Å; Y83-I141 HydrophobicContact CE1-CD1 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.31Å; Y83-I141 HydrophobicContact CE2-CG2 4.11Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-K145 PolarHBondContact OH-NZ 3.24Å
84Y97.4Very high96.1Very high66 Ų6663.5 Ų63.526%0.25935%0.346SS..THydrogen-bonded Turntrans-93.65.1179.1-68.7-72000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.17Å; L80-Y84 PolarHBondContact O-N 3.16Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.73Å; Y84-Q86 PolarHBondContact O-N 3.13Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.29Å; Y84-Y122 AromaticContact CE2-CE2 3.95Å; Y84-Y122 HydrophobicContact CE2-CE2 3.95Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.42Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.81Å; Y84-D136 PolarHBondContact OH-OD2 2.9Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.6Very high96.3Very high150 Ų15065 Ų6580%0.80236%0.355SS*.THydrogen-bonded Turntrans52.139.9-177.9-56.6-62.3000113.4R81 G82R81-N85 PolarHBondContact O-N 2.75Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.86Å
86Q96.9Very high96.4Very high59 Ų5959.8 Ų59.828%0.27633%0.331SS..  trans-89.4154.2-175.3-72.2165.5-32.600112.4R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.22Å; R81-Q86 PolarHBondContact O-N 3.16Å; Y84-Q86 PolarHBondContact O-N 3.13Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 2.78Å
87S95.6Very high96.6Very high82 Ų8259.3 Ų59.357%0.57333%0.326SS*.  trans-69.9149.4178.4176.40000112.4A89 G90S87-A89 PolarHBondContact O-N 3.28Å; S87-A89 PolarHBondContact OG-N 3.38Å; S87-G90 PolarHBondContact O-N 3.21Å
88E93.1Very high96.7Very high134 Ų13460.4 Ų60.463%0.62633%0.33SS*.THydrogen-bonded Turntrans-69.1-18.7174.2-51.3-152.9128.500113.8P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.38Å; P14-E88 WeakPolarHBondContact CG-O 3.22Å; R81-E88 IonicContact CZ-OE1 2.86Å; R81-E88 VanDerWaalsContact CZ-OE1 3.24Å; R81-E88 VanDerWaalsContact NH1-CG 3.34Å; R81-E88 IonicContact NH1-OE1 3.47Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 3.58Å; R81-E88 PolarHBondContact NH2-OE1 3.29Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 3.07Å
89A93.4Very high96.8Very high82 Ų8254 Ų5468%0.67831%0.306SS*.THydrogen-bonded Turntrans-77.2-15.1179.500000113.1S87S87-A89 PolarHBondContact O-N 3.28Å; S87-A89 PolarHBondContact OG-N 3.38Å
90G93.7Very high97Very high27 Ų2750.2 Ų50.228%0.27829%0.285SS..  trans-75.1135.7-178.300000113.1P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.48Å; S87-G90 PolarHBondContact O-N 3.21Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 3.07Å; G90-H92 PolarHBondContact O-CD2 2.88Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å
91S97.1Very high97.1Very high84 Ų8451.2 Ų51.259%0.58729%0.291SS*.  trans-81.1131.9164.7-173.50000108.7S12S12-S91 PolarHBondContact O-OG 3.24Å
92H98.1Very high97.2Very high17 Ų1748.2 Ų48.28%0.07928%0.28CS..  trans-133.2151.6-176.2-64.2-73.5000110.9M11 S12 L77 Q86 G90 Y117 D118M11-H92 WeakPolarHBondContact CA-O 3.37Å; S12-H92 PolarHBondContact N-O 3.06Å; S12-H92 PolarHBondContact OG-N 2.96Å; S12-H92 PolarHBondContact OG-O 3.28Å; L77-H92 HydrophobicContact CD2-CB 4.19Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.31Å; G90-H92 PolarHBondContact O-CD2 2.88Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.84Å; H92-Y117 WeakPolarHBondContact CB-OH 3.28Å; H92-Y117 AromaticContact ND1-CZ 3.87Å; H92-Y117 PolarHBondContact ND1-OH 2.65Å; H92-D118 WeakPolarHBondContact CA-OD1 3.4Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.71Å; H92-D118 IonicContact CG-OD1 3.37Å; H92-D118 IonicContact CG-OD2 3.63Å; H92-D118 IonicContact ND1-OD1 3.99Å; H92-D118 IonicContact ND1-OD2 3.59Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å
93T98.4Very high97.2Very high37 Ų3746.6 Ų46.623%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-124.2131.7-175.3-61.20000110.4T9 A10 M11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.1Å; A10-T93 WeakPolarHBondContact O-CA 3.09Å; M11-T93 HydrophobicContact CG-CG2 4.39Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; T93-Y117 WeakPolarHBondContact O-CA 3.09Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; T93-D118 PolarHBondContact N-OD1 3.23Å; T93-D118 PolarHBondContact O-N 2.8Å
94W98.2Very high97Very high9 Ų949.7 Ų49.73%0.03429%0.29CS..EExtended strand (participates in β ladder)trans-119.7122.5172.6-179.8-107.5000109.4A10 Y73 L77 L80 L115 Y117 Y122A10-W94 HydrophobicContact CB-CB 4.47Å; A10-W94 PolarHBondContact N-O 3.31Å; A10-W94 PolarHBondContact O-N 3.44Å; Y73-W94 AromaticContact CD2-CD1 3.38Å; Y73-W94 AromaticContact CE2-CD1 3.53Å; Y73-W94 AromaticContact CE2-NE1 3.83Å; Y73-W94 AromaticContact CG-CD1 3.88Å; Y73-W94 AromaticContact CZ-NE1 4Å; L77-W94 HydrophobicContact CD2-CB 3.72Å; L77-W94 HydrophobicContact CG-CB 4.12Å; L80-W94 HydrophobicContact CD1-CD2 3.71Å; L80-W94 HydrophobicContact CD1-CE3 3.17Å; L80-W94 HydrophobicContact CD1-CG 4.41Å; L80-W94 HydrophobicContact CD1-CH2 3.93Å; L80-W94 HydrophobicContact CD1-CZ2 4.4Å; L80-W94 HydrophobicContact CD1-CZ3 3.31Å; L80-W94 HydrophobicContact CD2-CE3 4.45Å; L80-W94 HydrophobicContact CD2-CH2 4.23Å; L80-W94 HydrophobicContact CD2-CZ3 3.79Å; L80-W94 HydrophobicContact CG-CE3 4.42Å; L80-W94 HydrophobicContact CG-CZ3 4.18Å; W94-L115 HydrophobicContact CH2-CB 3.98Å; W94-L115 HydrophobicContact CH2-CD2 3.96Å; W94-L115 HydrophobicContact CZ2-CB 3.95Å; W94-L115 HydrophobicContact CZ2-CD2 3.17Å; W94-L115 HydrophobicContact CZ2-CG 4.18Å; W94-L115 HydrophobicContact CZ3-CB 4.47Å; W94-Y117 HydrophobicContact CE3-CD2 4.02Å; W94-Y117 HydrophobicContact CE3-CG 4.37Å; W94-Y122 AromaticContact CH2-CD1 3.36Å; W94-Y122 HydrophobicContact CH2-CD1 3.36Å; W94-Y122 AromaticContact CH2-CE1 3.65Å; W94-Y122 HydrophobicContact CH2-CE1 3.65Å; W94-Y122 AromaticContact CH2-CG 3.99Å; W94-Y122 HydrophobicContact CH2-CG 3.99Å; W94-Y122 AromaticContact CZ3-CD1 3.59Å; W94-Y122 HydrophobicContact CZ3-CD1 3.59Å; W94-Y122 HydrophobicContact CZ3-CD2 4.3Å; W94-Y122 HydrophobicContact CZ3-CE1 4.07Å; W94-Y122 AromaticContact CZ3-CG 3.7Å; W94-Y122 HydrophobicContact CZ3-CG 3.7Å
95Q98.6Very high96.7Very high76 Ų7651.4 Ų51.436%0.35530%0.304SS..EExtended strand (participates in β ladder)trans-119.3147-176.7-71.6168.6-83.800110.6Y8 T9 T93 L115 A116Y8-Q95 CarbonylContact O-C 3.53Å; Y8-Q95 VanDerWaalsContact O-CA 3.27Å; Y8-Q95 WeakPolarHBondContact O-CA 3.46Å; T9-Q95 HydrophobicContact CG2-CG 4.14Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; Q95-L115 CarbonylContact O-C 3.5Å; Q95-L115 VanDerWaalsContact O-CA 3.23Å; Q95-L115 WeakPolarHBondContact O-CA 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.16Å; Q95-A116 PolarHBondContact O-N 3.03Å
96T98.5Very high96.5Very high8 Ų845.2 Ų45.25%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-140.6133.8175.4-60.30000109.7F7 Y8 Y73 Y98 Q114 L115F7-T96 WeakPolarHBondContact CA-O 3.49Å; Y8-T96 PolarHBondContact N-O 3.02Å; Y8-T96 PolarHBondContact O-N 3.29Å; Y73-T96 WeakPolarHBondContact OH-CB 3.43Å; Y73-T96 WeakPolarHBondContact OH-CG2 3.48Å; Y73-T96 PolarHBondContact OH-OG1 3.31Å; T96-Y98 HydrophobicContact CG2-CD1 4.11Å; T96-Q114 WeakPolarHBondContact CA-O 3.42Å; T96-L115 HydrophobicContact CG2-CD2 4.34Å; T96-L115 HydrophobicContact CG2-CG 4Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.27Å; T96-L115 WeakPolarHBondContact OG1-CG 3.4Å
97M98.7Very high96.4Very high18 Ų1850.6 Ų50.69%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-122.5127.7169.3-173.1-76.3-7100108.2Y6 F7 H112 N113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.47Å; F7-M97 HydrophobicContact CD1-CB 4.07Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 4.21Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CZ-CG 4.06Å; M97-H112 HydrophobicContact CE-CB 3.86Å; M97-H112 HydrophobicContact SD-CB 4.11Å; M97-N113 WeakPolarHBondContact O-CA 3.35Å; M97-Q114 HydrophobicContact CB-CG 4.11Å; M97-Q114 HydrophobicContact CE-CG 3.91Å; M97-Q114 PolarHBondContact N-O 3.24Å; M97-Q114 PolarHBondContact O-N 3.33Å
98Y98.7Very high96.5Very high33 Ų3349.3 Ų49.313%0.12928%0.279CS..EExtended strand (participates in β ladder)trans-146.7158.1172.371.7-85.5000111.2R5 Y6 Y8 T96 H112 N113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.26Å; Y6-Y98 AromaticContact CD2-CE2 3.75Å; Y6-Y98 HydrophobicContact CD2-CE2 3.75Å; Y6-Y98 AromaticContact CD2-CZ 3.81Å; Y6-Y98 HydrophobicContact CG-CE1 4.3Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.83Å; Y6-Y98 PolarHBondContact N-O 2.9Å; Y6-Y98 PolarHBondContact O-N 3.4Å; Y6-Y98 VanDerWaalsContact O-N 3.16Å; Y8-Y98 HydrophobicContact CD2-CE1 4.1Å; Y8-Y98 HydrophobicContact CE1-CE1 4.3Å; Y8-Y98 AromaticContact CE2-CE1 3.49Å; Y8-Y98 HydrophobicContact CE2-CE1 3.49Å; Y8-Y98 VanDerWaalsContact CE2-CE1 3.49Å; Y8-Y98 AromaticContact CZ-CE1 3.62Å; Y8-Y98 AromaticContact CZ-CZ 3.94Å; Y8-Y98 PolarHBondContact OH-OH 3.28Å; T96-Y98 HydrophobicContact CG2-CD1 4.11Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.37Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.27Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.49Å; Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.65Å; Y98-Y158 HydrophobicContact CE2-CE1 3.65Å; Y98-Y158 AromaticContact CE2-CZ 3.86Å
99G98.7Very high96.7Very high0 Ų049 Ų490%028%0.281CS..EExtended strand (participates in β ladder)trans156.9-173.8-177.700000113.5M4 H112 L159M4-G99 CarbonylContact O-C 3.54Å; M4-G99 WeakPolarHBondContact O-CA 3.06Å; G99-H112 PolarHBondContact N-O 2.81Å; G99-H112 PolarHBondContact O-N 3.45Å; G99-L159 WeakPolarHBondContact O-CD2 3.22Å
100C98.8Very high96.9Very high0 Ų049.9 Ų49.90%027%0.267CS..EExtended strand (participates in β ladder)trans-132.2147-173.651.50000110.9S3 M4 L108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.18Å; M4-C100 PolarHBondContact N-O 3.21Å; M4-C100 PolarHBondContact O-N 2.99Å; C100-L108 HydrophobicContact CB-CD1 3.62Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.04Å; C100-C163 PolarHBondContact N-SG 2.93Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 PolarHBondContact SG-O 3.09Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.77Å
101D98.6Very high97.1Very high26 Ų2648.8 Ų48.814%0.13926%0.256CS..EExtended strand (participates in β ladder)trans-111134173-55.5-27000108.9H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 3.75Å; R5-D101 IonicContact NE-OD1 3.41Å; R5-D101 PolarHBondContact NE-OD1 3.48Å; R5-D101 VanDerWaalsContact NH2-CG 3.35Å; R5-D101 IonicContact NH2-OD1 2.95Å; R5-D101 PolarHBondContact NH2-OD1 2.83Å; R5-D101 IonicContact NH2-OD2 2.66Å; R5-D101 PolarHBondContact NH2-OD2 3.18Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 3.43Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 2.99Å; D101-R110 PolarHBondContact O-N 3.45Å; D101-H112 IonicContact OD1-NE2 3Å; D101-H112 IonicContact OD2-CD2 2.91Å; D101-H112 IonicContact OD2-CE1 3.07Å; D101-H112 IonicContact OD2-NE2 3.79Å; D101-H112 PolarHBondContact OD2-NE2 3.38Å
102L98.3Very high97.2Very high4 Ų445.8 Ų45.82%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-108.3136.2175.6-55.7-177.2000111.1S1 H2 R107 V164 L167 R168S1-L102 VanDerWaalsContact CA-O 3.26Å; S1-L102 WeakPolarHBondContact CA-O 3.33Å; S1-L102 VanDerWaalsContact CB-O 3.28Å; S1-L102 WeakPolarHBondContact CB-O 3.4Å; H2-L102 PolarHBondContact N-O 3.28Å; H2-L102 VanDerWaalsContact N-O 3.09Å; H2-L102 PolarHBondContact O-N 2.04Å; L102-R107 VanDerWaalsContact CA-O 3.27Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; L102-V164 HydrophobicContact CD2-CB 4.23Å; L102-V164 HydrophobicContact CD2-CG1 3.86Å; L102-V164 HydrophobicContact CD2-CG2 3.83Å; L102-L167 HydrophobicContact CB-CD2 4.49Å; L102-L167 HydrophobicContact CD1-CB 4.26Å; L102-L167 HydrophobicContact CD1-CD2 3.63Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.26Å; L102-R168 HydrophobicContact CD1-CG 3.99Å
103G96.2Very high97.2Very high9 Ų945.7 Ų45.79%0.09323%0.232CC..  trans-67.3173.7167.100000112.4D105 G106 R107G103-D105 PolarHBondContact O-N 2.87Å; G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 3.44Å; G103-R107 PolarHBondContact N-O 3.44Å
104P92.6Very high97.2Very high123 Ų12348 Ų4880%0.79924%0.24SC*.THydrogen-bonded Turntrans-60.2-25.1176.1-2334.2000114G106P104-G106 PolarHBondContact O-N 3.04Å
105D92.8Very high97.2Very high102 Ų10248 Ų4855%0.54524%0.241SC..THydrogen-bonded Turntrans-80.62.6174.568.4-13.8000113.2G103 R107G103-D105 PolarHBondContact O-N 2.87Å; D105-R107 PolarHBondContact O-N 3.31Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.49Å; D105-R107 WeakPolarHBondContact OD2-CG 3.13Å; D105-R107 IonicContact OD2-NE 2.8Å
106G91.1Very high97.2Very high19 Ų1945.1 Ų45.120%0.19623%0.23CC..SBendtrans72.68.6-179.100000114.1G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 3.44Å; P104-G106 PolarHBondContact O-N 3.04Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 3.21Å; G106-R168 PolarHBondContact O-NH2 3.19Å
107R95.6Very high97.2Very high173 Ų17345.3 Ų45.365%0.65323%0.23SC*.  trans-85.7154.1176.7-63.6-173.3-179166.8-2.4111.2L102 G103 D105 L109L102-R107 VanDerWaalsContact CA-O 3.27Å; L102-R107 WeakPolarHBondContact CA-O 3.18Å; G103-R107 PolarHBondContact N-O 3.44Å; D105-R107 PolarHBondContact O-N 3.31Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.49Å; D105-R107 WeakPolarHBondContact OD2-CG 3.13Å; D105-R107 IonicContact OD2-NE 2.8Å; R107-L109 PolarHBondContact O-N 2.96Å
108L97.9Very high97.2Very high54 Ų5447.5 Ų47.528%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-59.5119.8175.3-176.971.3000109.5C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.62Å; L108-R110 WeakPolarHBondContact CD1-O 3.48Å; L108-L129 HydrophobicContact CD2-CD1 4.3Å; L108-E160 HydrophobicContact CD2-CB 4.4Å; L108-E160 HydrophobicContact CD2-CG 3.67Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å
109L97.5Very high97.2Very high128 Ų12848.7 Ų48.767%0.6727%0.265SS*.EExtended strand (participates in β ladder)trans-91.1-44.3171.3-176.667.4000110.3D101 R107D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 3.43Å; R107-L109 PolarHBondContact O-N 2.96Å
110R97.3Very high97.1Very high101 Ų10156.4 Ų56.438%0.38130%0.298SS..EExtended strand (participates in β ladder)trans-156.8142-177-173.4172.1175.3143.68.1111.5C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.42Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 2.99Å; D101-R110 PolarHBondContact O-N 3.45Å; L108-R110 WeakPolarHBondContact CD1-O 3.48Å; R110-H112 WeakPolarHBondContact CD-CE1 3.17Å; R110-H112 PolarHBondContact NE-CE1 3.06Å; R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 3.42Å; R110-E127 IonicContact NE-OE1 3.21Å; R110-E127 IonicContact NH1-OE1 3.38Å; R110-E127 PolarHBondContact NH1-OE1 2.86Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.51Å; R110-E127 PolarHBondContact NH2-OE1 2.84Å
111G98.3Very high97.1Very high4 Ų462.5 Ų62.54%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-107.2151.4167.900000111.1
112H98.4Very high97.1Very high21 Ų2161.3 Ų61.310%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-132.9139-178.3-56.9-92.3000110.5R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-NE2 3.24Å; R5-H112 VanDerWaalsContact NH2-NE2 3.16Å; M97-H112 HydrophobicContact CE-CB 3.86Å; M97-H112 HydrophobicContact SD-CB 4.11Å; Y98-H112 CarbonylContact C-O 3.59Å; Y98-H112 WeakPolarHBondContact CA-O 3.37Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.27Å; G99-H112 PolarHBondContact N-O 2.81Å; G99-H112 PolarHBondContact O-N 3.45Å; D101-H112 IonicContact OD1-NE2 3Å; D101-H112 IonicContact OD2-CD2 2.91Å; D101-H112 IonicContact OD2-CE1 3.07Å; D101-H112 IonicContact OD2-NE2 3.79Å; D101-H112 PolarHBondContact OD2-NE2 3.38Å; R110-H112 WeakPolarHBondContact CD-CE1 3.17Å; R110-H112 PolarHBondContact NE-CE1 3.06Å
113N98.6Very high97.2Very high15 Ų1561.3 Ų61.38%0.0833%0.325CS..EExtended strand (participates in β ladder)trans-154108163.1-173.3-86000108.2M97 Y98 L115 L125 L155M97-N113 WeakPolarHBondContact O-CA 3.35Å; Y98-N113 WeakPolarHBondContact CB-ND2 3.49Å; N113-L115 WeakPolarHBondContact OD1-CD1 3.31Å; N113-L125 HydrophobicContact CB-CB 3.96Å; N113-L125 HydrophobicContact CB-CD2 4.19Å; N113-L125 WeakPolarHBondContact O-CB 3.3Å; N113-L125 PolarHBondContact O-N 2.93Å; N113-L155 HydrophobicContact CB-CD1 4.17Å
114Q98.4Very high97.3Very high84 Ų8462.3 Ų62.339%0.39333%0.332SS..EExtended strand (participates in β ladder)trans-140.3144.6-176.666.9-169.22100111.1T96 M97 A124T96-Q114 WeakPolarHBondContact CA-O 3.42Å; M97-Q114 HydrophobicContact CB-CG 4.11Å; M97-Q114 HydrophobicContact CE-CG 3.91Å; M97-Q114 PolarHBondContact N-O 3.24Å; M97-Q114 PolarHBondContact O-N 3.33Å; Q114-A124 HydrophobicContact CB-CB 3.9Å
115L98.5Very high97.6Very high11 Ų1157 Ų576%0.05830%0.297CS..EExtended strand (participates in β ladder)trans-130.3143.4-172.6-5987.7000109.9W94 Q95 T96 N113 Y122 I123 W146W94-L115 HydrophobicContact CH2-CB 3.98Å; W94-L115 HydrophobicContact CH2-CD2 3.96Å; W94-L115 HydrophobicContact CZ2-CB 3.95Å; W94-L115 HydrophobicContact CZ2-CD2 3.17Å; W94-L115 HydrophobicContact CZ2-CG 4.18Å; W94-L115 HydrophobicContact CZ3-CB 4.47Å; Q95-L115 CarbonylContact O-C 3.5Å; Q95-L115 VanDerWaalsContact O-CA 3.23Å; Q95-L115 WeakPolarHBondContact O-CA 3.41Å; T96-L115 HydrophobicContact CG2-CD2 4.34Å; T96-L115 HydrophobicContact CG2-CG 4Å; T96-L115 WeakPolarHBondContact OG1-CD2 3.27Å; T96-L115 WeakPolarHBondContact OG1-CG 3.4Å; N113-L115 WeakPolarHBondContact OD1-CD1 3.31Å; L115-Y122 WeakPolarHBondContact O-CB 3.41Å; L115-Y122 PolarHBondContact O-N 2.86Å; L115-I123 HydrophobicContact CB-CG2 4.27Å; L115-I123 HydrophobicContact CD1-CG2 3.92Å; L115-I123 PolarHBondContact N-O 2.83Å; L115-I123 PolarHBondContact O-N 2.86Å; L115-W146 HydrophobicContact CD1-CH2 3.8Å; L115-W146 HydrophobicContact CD1-CZ3 4.09Å; L115-W146 HydrophobicContact CD2-CH2 3.94Å
116A98.7Very high97.9Very high15 Ų1554.3 Ų54.312%0.12428%0.282CS..EExtended strand (participates in β ladder)trans-129.8145.9179.300000110.9Q95 K120Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.16Å; Q95-A116 PolarHBondContact O-N 3.03Å; A116-K120 CarbonylContact C-O 3.45Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å
117Y98.6Very high98.2Very high11 Ų1159.6 Ų59.64%0.04330%0.302CS..EExtended strand (participates in β ladder)trans-122.8126.8176-172.6-124.2000110.1L77 L80 Y84 Q86 H92 T93 W94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.06Å; L80-Y117 HydrophobicContact CB-CD1 4.46Å; L80-Y117 HydrophobicContact CB-CD2 4.23Å; L80-Y117 HydrophobicContact CB-CE1 4.08Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CD2 3.68Å; L80-Y117 HydrophobicContact CD1-CE2 3.93Å; L80-Y117 HydrophobicContact CD1-CG 4.23Å; L80-Y117 HydrophobicContact CD2-CG 4.5Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y117 HydrophobicContact CG-CE2 4.48Å; Y84-Y117 AromaticContact CD2-CD1 3.66Å; Y84-Y117 HydrophobicContact CD2-CD1 3.66Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.45Å; Y84-Y117 HydrophobicContact CE2-CD1 3.45Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.45Å; Y84-Y117 AromaticContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CE1 3.79Å; Y84-Y117 HydrophobicContact CE2-CG 4.44Å; Y84-Y117 HydrophobicContact CG-CE1 4.33Å; Q86-Y117 PolarHBondContact OE1-OH 2.78Å; H92-Y117 HydrophobicContact CB-CE2 3.84Å; H92-Y117 WeakPolarHBondContact CB-OH 3.28Å; H92-Y117 AromaticContact ND1-CZ 3.87Å; H92-Y117 PolarHBondContact ND1-OH 2.65Å; T93-Y117 WeakPolarHBondContact O-CA 3.09Å; T93-Y117 VanDerWaalsContact O-CD2 3.25Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; W94-Y117 HydrophobicContact CE3-CD2 4.02Å; W94-Y117 HydrophobicContact CE3-CG 4.37Å; Y117-G119 PolarHBondContact O-N 3.4Å; Y117-G119 VanDerWaalsContact O-N 3.16Å; Y117-K120 PolarHBondContact N-O 2.84Å; Y117-K120 PolarHBondContact O-N 2.83Å
118D98.1Very high98.3Very high64 Ų6455.1 Ų55.134%0.34229%0.291SS..THydrogen-bonded Turntrans49.339.4-176-65.8-21.1000113.3H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.4Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.71Å; H92-D118 IonicContact CG-OD1 3.37Å; H92-D118 IonicContact CG-OD2 3.63Å; H92-D118 IonicContact ND1-OD1 3.99Å; H92-D118 IonicContact ND1-OD2 3.59Å; H92-D118 PolarHBondContact ND1-OD2 2.85Å; T93-D118 PolarHBondContact N-OD1 3.23Å; T93-D118 PolarHBondContact O-N 2.8Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.86Å
119G97.4Very high98.3Very high59 Ų5953 Ų5361%0.60828%0.28SS*.THydrogen-bonded Turntrans78.96.1177.800000115.4Y117Y117-G119 PolarHBondContact O-N 3.4Å; Y117-G119 VanDerWaalsContact O-N 3.16Å
120K98.4Very high98.3Very high161 Ų16150.3 Ų50.370%0.727%0.272SS*.EExtended strand (participates in β ladder)trans-112.3145176-62.3-178.4-178.3179.10110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.45Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å; Y117-K120 PolarHBondContact N-O 2.84Å; Y117-K120 PolarHBondContact O-N 2.83Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.86Å; K120-Y122 PolarHBondContact O-N 2.9Å
121D98.6Very high98.4Very high128 Ų12847.3 Ų47.368%0.68427%0.266SS*.EExtended strand (participates in β ladder)trans-53.6135.7173.7-67.6-25.2000110.6A135D121-A135 WeakPolarHBondContact O-CB 3.14Å
122Y98.7Very high98.4Very high2 Ų247.7 Ų47.71%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-114.4-62.5179.2-179.1-99.1000110.5L80 Y84 W94 L115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.01Å; L80-Y122 HydrophobicContact CD2-CE1 4.04Å; L80-Y122 HydrophobicContact CD2-CE2 3.34Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.33Å; Y84-Y122 HydrophobicContact CE2-CD2 4.29Å; Y84-Y122 AromaticContact CE2-CE2 3.95Å; Y84-Y122 HydrophobicContact CE2-CE2 3.95Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.39Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; W94-Y122 AromaticContact CH2-CD1 3.36Å; W94-Y122 HydrophobicContact CH2-CD1 3.36Å; W94-Y122 AromaticContact CH2-CE1 3.65Å; W94-Y122 HydrophobicContact CH2-CE1 3.65Å; W94-Y122 AromaticContact CH2-CG 3.99Å; W94-Y122 HydrophobicContact CH2-CG 3.99Å; W94-Y122 AromaticContact CZ3-CD1 3.59Å; W94-Y122 HydrophobicContact CZ3-CD1 3.59Å; W94-Y122 HydrophobicContact CZ3-CD2 4.3Å; W94-Y122 HydrophobicContact CZ3-CE1 4.07Å; W94-Y122 AromaticContact CZ3-CG 3.7Å; W94-Y122 HydrophobicContact CZ3-CG 3.7Å; L115-Y122 WeakPolarHBondContact O-CB 3.41Å; L115-Y122 PolarHBondContact O-N 2.86Å; K120-Y122 PolarHBondContact O-N 2.9Å; Y122-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 PolarHBondContact O-N 2.89Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 3.46Å; Y122-A139 HydrophobicContact CD1-CB 4.22Å; Y122-A139 HydrophobicContact CD2-CB 3.95Å; Y122-A139 HydrophobicContact CE1-CB 4.12Å; Y122-A139 HydrophobicContact CE2-CB 3.83Å; Y122-A139 HydrophobicContact CG-CB 4.16Å; Y122-A139 VanDerWaalsContact CZ-CA 3.45Å; Y122-A139 WeakPolarHBondContact O-CB 3.22Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact CE1-OG1 3.48Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å
123I98.7Very high98.4Very high4 Ų450.5 Ų50.52%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-149.1141.9178.4-160.3173.8000110.5L115 W132 T133 T142 Q143 W146L115-I123 HydrophobicContact CB-CG2 4.27Å; L115-I123 HydrophobicContact CD1-CG2 3.92Å; L115-I123 PolarHBondContact N-O 2.83Å; L115-I123 PolarHBondContact O-N 2.86Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.14Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; I123-T133 WeakPolarHBondContact CA-O 3.47Å; I123-T142 HydrophobicContact CD1-CG2 4.21Å; I123-Q143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.19Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.21Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å
124A98.8Very high98.4Very high29 Ų2950.8 Ų50.824%0.2429%0.29CS..EExtended strand (participates in β ladder)trans-134.3139.4178.200000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.9Å; A124-W132 WeakPolarHBondContact O-CA 3.22Å; A124-T133 PolarHBondContact N-O 3.37Å; A124-T133 PolarHBondContact O-N 2.91Å
125L98.8Very high98.4Very high13 Ų1349.7 Ų49.77%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-72.1126.7167.9-175.668.7000108.2N113 L129 W132 A152 L155 L159N113-L125 HydrophobicContact CB-CB 3.96Å; N113-L125 HydrophobicContact CB-CD2 4.19Å; N113-L125 WeakPolarHBondContact O-CB 3.3Å; N113-L125 PolarHBondContact O-N 2.93Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.25Å; L125-W132 HydrophobicContact CD1-CE3 4.32Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.93Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-A152 HydrophobicContact CD1-CB 3.92Å; L125-L155 HydrophobicContact CD2-CB 4.16Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126N98.7Very high98.4Very high45 Ų4551.7 Ų51.724%0.24131%0.306CS..  trans-70.5163.8179.8-67.7-28.7000111.3D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.4Å; N126-D128 VanDerWaalsContact O-N 3.07Å; N126-L129 PolarHBondContact O-N 2.76Å; N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.27Å; N126-S131 PolarHBondContact N-O 3.18Å; N126-S131 PolarHBondContact ND2-OG 2.99Å; N126-T133 PolarHBondContact ND2-OG1 3.26Å; N126-T133 WeakPolarHBondContact OD1-CB 3.28Å; N126-T133 PolarHBondContact OD1-OG1 3.43Å
127E97.8Very high98.4Very high129 Ų12956.3 Ų56.360%0.60333%0.332SS*.THydrogen-bonded Turntrans-59.2-22.7-178.9-68.1-179-166.200113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 3.42Å; R110-E127 IonicContact NE-OE1 3.21Å; R110-E127 IonicContact NH1-OE1 3.38Å; R110-E127 PolarHBondContact NH1-OE1 2.86Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.51Å; R110-E127 PolarHBondContact NH2-OE1 2.84Å; E127-L129 PolarHBondContact O-N 2.73Å
128D97.8Very high98.3Very high80 Ų8056 Ų5643%0.42833%0.332SS..THydrogen-bonded Turntrans-70.8-7.9174.768.221.5000114N126 S130 S131N126-D128 PolarHBondContact O-N 3.4Å; N126-D128 VanDerWaalsContact O-N 3.07Å; D128-S130 PolarHBondContact O-N 2.92Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CA 3.05Å; D128-S130 PolarHBondContact OD1-N 2.89Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 3.45Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.4Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.02Å
129L98.2Very high98.3Very high9 Ų953 Ų535%0.04732%0.316CS..SBendtrans53.729.1-177-52.1-177.5000114L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.3Å; L125-L129 HydrophobicContact CD2-CB 4.45Å; L125-L129 HydrophobicContact CD2-CD2 3.78Å; L125-L129 HydrophobicContact CG-CD2 4.34Å; N126-L129 PolarHBondContact O-N 2.76Å; E127-L129 PolarHBondContact O-N 2.73Å; L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.33Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L129-E160 HydrophobicContact CD1-CG 4.27Å
130S97.9Very high98.4Very high71 Ų7153.7 Ų53.750%0.49730%0.304SS..SBendtrans-139.5-25.4-174.969.60000113.6D128D128-S130 PolarHBondContact O-N 2.92Å; D128-S130 VanDerWaalsContact O-N 3.17Å; D128-S130 WeakPolarHBondContact OD1-CA 3.05Å; D128-S130 PolarHBondContact OD1-N 2.89Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 3.45Å
131S98.2Very high98.4Very high38 Ų3848.9 Ų48.927%0.26629%0.285SS..  trans-121.3165.7-178.170.90000112.3N126 D128N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.27Å; N126-S131 PolarHBondContact N-O 3.18Å; N126-S131 PolarHBondContact ND2-OG 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.4Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.02Å
132W98.8Very high98.3Very high13 Ų1343.6 Ų43.65%0.04926%0.257CS..EExtended strand (participates in β ladder)trans-122.4145.5-174.4-6194.8000111.5I123 A124 L125 Q143 W146 V151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.14Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; A124-W132 WeakPolarHBondContact O-CA 3.22Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.1Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.25Å; L125-W132 HydrophobicContact CD1-CE3 4.32Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.93Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; W132-Q143 HydrophobicContact CB-CG 4.05Å; W132-W146 HydrophobicContact CD2-CE3 4.05Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.89Å; W132-W146 HydrophobicContact CE3-CE3 3.89Å; W132-W146 AromaticContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CH2 4.43Å; W132-W146 AromaticContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.42Å; W132-W146 HydrophobicContact CZ2-CE3 3.42Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.42Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CH2-CG1 4.49Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.1Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.91Å; W132-L155 HydrophobicContact CZ3-CD1 4.46Å
133T98.8Very high98.3Very high79 Ų7945.4 Ų45.449%0.48527%0.266SS..EExtended strand (participates in β ladder)trans-108.1116.7163.8-65.20000108.8I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.47Å; A124-T133 PolarHBondContact N-O 3.37Å; A124-T133 PolarHBondContact O-N 2.91Å; N126-T133 PolarHBondContact ND2-OG1 3.26Å; N126-T133 WeakPolarHBondContact OD1-CB 3.28Å; N126-T133 PolarHBondContact OD1-OG1 3.43Å
134A98.6Very high98.3Very high22 Ų2252.7 Ų52.718%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-97.5132.4175.200000110.4A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.74Å; A134-Q140 HydrophobicContact CB-CG 3.95Å; A134-Q143 HydrophobicContact CB-CB 4.46Å
135A98.4Very high98.3Very high61 Ų6156.6 Ų56.650%0.50430%0.304SS..SBendtrans-74.1-31.3-175.500000113.4D121 Y122D121-A135 WeakPolarHBondContact O-CB 3.14Å; Y122-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 PolarHBondContact O-N 2.89Å
136D98.3Very high98.3Very high53 Ų5358.8 Ų58.828%0.28331%0.312SS..SBendtrans-152-175.3-177.865.527.7000112.9Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.42Å; Y84-D136 VanDerWaalsContact OH-CG 3.26Å; Y84-D136 PolarHBondContact OH-OD1 2.81Å; Y84-D136 PolarHBondContact OH-OD2 2.9Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-A138 WeakPolarHBondContact OD1-CA 3.19Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.02Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.48Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 3.18Å
137T98.1Very high98.3Very high111 Ų11161.3 Ų61.368%0.68132%0.322SS*.Hα-helixtrans-66.3-27.5-179.251.60000113.6
138A97.8Very high98.3Very high5 Ų559.4 Ų59.44%0.04133%0.329CS..Hα-helixtrans-71.6-45.4174.300000110.1Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 3.46Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.29Å; D136-A138 WeakPolarHBondContact OD1-CA 3.19Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.02Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.73Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.27Å; A138-I141 PolarHBondContact O-N 3.09Å
139A98.3Very high98.3Very high0 Ų058.4 Ų58.40%033%0.331CS..Hα-helixtrans-60.7-33.9174.500000113.2Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.22Å; Y122-A139 HydrophobicContact CD2-CB 3.95Å; Y122-A139 HydrophobicContact CE1-CB 4.12Å; Y122-A139 HydrophobicContact CE2-CB 3.83Å; Y122-A139 HydrophobicContact CG-CB 4.16Å; Y122-A139 VanDerWaalsContact CZ-CA 3.45Å; Y122-A139 WeakPolarHBondContact O-CB 3.22Å; A134-A139 HydrophobicContact CB-CB 3.74Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 3.48Å; A139-I141 PolarHBondContact O-N 3.41Å; A139-T142 WeakPolarHBondContact O-CB 3.39Å; A139-T142 PolarHBondContact O-N 2.91Å; A139-Q143 PolarHBondContact O-N 3.27Å
140Q98.6Very high98.3Very high75 Ų7565.4 Ų65.435%0.3536%0.357SS..Hα-helixtrans-60.9-28.4173.3-73.5173.111.400113A134 D136 A138 Q143 R144A134-Q140 HydrophobicContact CB-CG 3.95Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 3.18Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.73Å; Q140-Q143 PolarHBondContact O-N 2.96Å; Q140-R144 WeakPolarHBondContact O-CG 3.24Å; Q140-R144 PolarHBondContact O-N 3.32Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.1Very high98.3Very high59 Ų5963.4 Ų63.430%0.30334%0.342SS..Hα-helixtrans-65.9-44.7173.6-58.6169.6000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.14Å; Y83-I141 HydrophobicContact CE1-CD1 4.45Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.31Å; Y83-I141 HydrophobicContact CE2-CG2 4.11Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; A138-I141 VanDerWaalsContact O-CB 3.27Å; A138-I141 WeakPolarHBondContact O-CB 3.27Å; A138-I141 PolarHBondContact O-N 3.09Å; A139-I141 PolarHBondContact O-N 3.41Å; I141-K145 WeakPolarHBondContact O-CG 3.14Å; I141-K145 PolarHBondContact O-N 2.85Å
142T97.9Very high98.4Very high17 Ų1762 Ų6210%0.10433%0.332CS..Hα-helixtrans-63.5-44.9174.7-65.10000111.2Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 WeakPolarHBondContact CE1-OG1 3.48Å; Y122-T142 PolarHBondContact OH-OG1 2.86Å; I123-T142 HydrophobicContact CD1-CG2 4.21Å; A139-T142 WeakPolarHBondContact O-CB 3.39Å; A139-T142 PolarHBondContact O-N 2.91Å; T142-R144 PolarHBondContact O-N 2.8Å; T142-K145 WeakPolarHBondContact O-CB 3.21Å; T142-K145 PolarHBondContact O-N 3.15Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.77Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.11Å; T142-W146 PolarHBondContact O-N 2.8Å
143Q98.6Very high98.3Very high40 Ų4066.5 Ų66.519%0.18735%0.354CS..Hα-helixtrans-52.7-52.7177.6178.3175.45.500111.6I123 W132 A134 A139 Q140 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.89Å; W132-Q143 HydrophobicContact CB-CG 4.05Å; A134-Q143 HydrophobicContact CB-CB 4.46Å; A139-Q143 PolarHBondContact O-N 3.27Å; Q140-Q143 PolarHBondContact O-N 2.96Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.48Å; Q143-W146 PolarHBondContact O-N 3.38Å; Q143-W146 VanDerWaalsContact O-N 3.08Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 WeakPolarHBondContact O-CB 3.41Å; Q143-E147 WeakPolarHBondContact O-CG 3.45Å; Q143-E147 PolarHBondContact O-N 3.31Å
144R98.6Very high98.3Very high158 Ų15869.2 Ų69.260%0.59636%0.361SS*.Hα-helixtrans-58.7-39.2179.6-69171.3-166.4151.57.9112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.24Å; Q140-R144 PolarHBondContact O-N 3.32Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 2.8Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 3.01Å
145K98.1Very high98.3Very high110 Ų11069.7 Ų69.748%0.47836%0.361SS..Hα-helixtrans-65.7-43.2176.3-71176.9175.1-173.60111.5Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.24Å; I141-K145 WeakPolarHBondContact O-CG 3.14Å; I141-K145 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.21Å; T142-K145 PolarHBondContact O-N 3.15Å; T142-K145 VanDerWaalsContact O-N 3.13Å; Q143-K145 VanDerWaalsContact C-N 3.28Å; Q143-K145 PolarHBondContact O-N 3.48Å; K145-A148 PolarHBondContact O-N 3.08Å; K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 3.5Å
146W98.3Very high98.3Very high60 Ų6071.9 Ų71.923%0.22736%0.356CS..Hα-helixtrans-71.7-35.4-178.2-76.510.4000112.6L115 I123 W132 T142 Q143 A149 R150 V151L115-W146 HydrophobicContact CD1-CH2 3.8Å; L115-W146 HydrophobicContact CD1-CZ3 4.09Å; L115-W146 HydrophobicContact CD2-CH2 3.94Å; I123-W146 HydrophobicContact CD1-CE3 4.19Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.21Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 4.05Å; W132-W146 AromaticContact CE2-CE3 3.82Å; W132-W146 AromaticContact CE3-CE3 3.89Å; W132-W146 HydrophobicContact CE3-CE3 3.89Å; W132-W146 AromaticContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CE3-CZ3 4Å; W132-W146 HydrophobicContact CH2-CD2 4.41Å; W132-W146 AromaticContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CE3 3.23Å; W132-W146 HydrophobicContact CH2-CH2 4.43Å; W132-W146 AromaticContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CH2-CZ3 3.26Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.42Å; W132-W146 HydrophobicContact CZ2-CE3 3.42Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.42Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.77Å; T142-W146 HydrophobicContact CG2-CE3 4.25Å; T142-W146 HydrophobicContact CG2-CG 4.11Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.11Å; T142-W146 PolarHBondContact O-N 2.8Å; Q143-W146 PolarHBondContact O-N 3.38Å; Q143-W146 VanDerWaalsContact O-N 3.08Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 2.82Å; W146-R150 PolarHBondContact O-N 3.31Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.43Å; W146-V151 HydrophobicContact CD2-CG1 4.21Å; W146-V151 HydrophobicContact CD2-CG2 4.5Å; W146-V151 HydrophobicContact CE3-CG1 4.43Å; W146-V151 HydrophobicContact CG-CB 4.08Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.32Å
147E98.6Very high98.3Very high97 Ų9772.5 Ų72.545%0.45337%0.368SS..Hα-helixtrans-63.8-49.1170.6-72.8169.4173.800111Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 3.21Å; Q143-E147 WeakPolarHBondContact O-CB 3.41Å; Q143-E147 WeakPolarHBondContact O-CG 3.45Å; Q143-E147 PolarHBondContact O-N 3.31Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.86Å; E147-R150 PolarHBondContact O-N 2.94Å
148A98.4Very high98.3Very high90 Ų9070 Ų7074%0.74435%0.347SS*.Hα-helixtrans-60.4-35.1177.500000112.9R144 K145R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 3.01Å; K145-A148 PolarHBondContact O-N 3.08Å
149A98.3Very high98.4Very high58 Ų5869.8 Ų69.848%0.47935%0.345SS..THydrogen-bonded Turntrans-90.32.917800000114.1K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.3Å; K145-A149 PolarHBondContact O-N 3.5Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 2.82Å; E147-A149 VanDerWaalsContact C-N 3.25Å; E147-A149 PolarHBondContact O-N 2.86Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 2.9Å
150R98.2Very high98.4Very high156 Ų15674 Ų7459%0.58937%0.365SS*.THydrogen-bonded Turntrans51.441.1-178.7-62.4175.7171.8-126.36.6113.7W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.31Å; E147-R150 PolarHBondContact O-N 2.94Å; R150-A152 PolarHBondContact O-N 2.89Å; R150-E153 HydrophobicContact CB-CG 4.29Å; R150-E153 WeakPolarHBondContact CD-OE1 3.42Å; R150-E153 IonicContact CZ-OE1 2.73Å; R150-E153 IonicContact NE-OE1 2.8Å; R150-E153 IonicContact NH1-OE1 3.7Å; R150-E153 PolarHBondContact NH1-OE1 3.39Å; R150-E153 IonicContact NH1-OE2 3.67Å; R150-E153 PolarHBondContact O-N 2.87Å
151V98.4Very high98.4Very high29 Ų2971.5 Ų71.518%0.17636%0.358CS..Hα-helixtrans-61.8-34.1-177.4176.10000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CH2-CG1 4.49Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.1Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.43Å; W146-V151 HydrophobicContact CD2-CG1 4.21Å; W146-V151 HydrophobicContact CD2-CG2 4.5Å; W146-V151 HydrophobicContact CE3-CG1 4.43Å; W146-V151 HydrophobicContact CG-CB 4.08Å; W146-V151 HydrophobicContact CG-CG1 4.35Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.32Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 2.9Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.89Å; V151-Q154 PolarHBondContact O-N 3.12Å; V151-L155 HydrophobicContact CG1-CD1 3.98Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 PolarHBondContact O-N 3.31Å; V151-L155 VanDerWaalsContact O-N 3.07Å
152A98.6Very high98.4Very high8 Ų871 Ų717%0.06636%0.358CS..Hα-helixtrans-60-38.9178.200000112.5L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.92Å; W132-A152 HydrophobicContact CZ2-CB 4.2Å; R150-A152 PolarHBondContact O-N 2.89Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 2.79Å; A152-L155 PolarHBondContact O-N 3.1Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.38Å; A152-R156 PolarHBondContact O-N 3.43Å
153E98.3Very high98.4Very high109 Ų10970.1 Ų70.151%0.50935%0.353SS..Hα-helixtrans-62.8-39.5178.3-63.3175-164.600111.5R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.29Å; R150-E153 WeakPolarHBondContact CD-OE1 3.42Å; R150-E153 IonicContact CZ-OE1 2.73Å; R150-E153 IonicContact NE-OE1 2.8Å; R150-E153 IonicContact NH1-OE1 3.7Å; R150-E153 PolarHBondContact NH1-OE1 3.39Å; R150-E153 IonicContact NH1-OE2 3.67Å; R150-E153 PolarHBondContact O-N 2.87Å; V151-E153 VanDerWaalsContact C-N 3.31Å; V151-E153 PolarHBondContact O-N 2.89Å; E153-A157 WeakPolarHBondContact O-CB 3.36Å; E153-A157 PolarHBondContact O-N 3.5Å
154Q98Very high98.4Very high135 Ų13568.6 Ų68.663%0.63135%0.346SS*.Hα-helixtrans-68.3-43.7177.7-59.7177.335.200111.7V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 3.12Å; A152-Q154 VanDerWaalsContact C-N 3.32Å; A152-Q154 PolarHBondContact O-N 2.79Å; Q154-A157 PolarHBondContact O-N 3.01Å; Q154-Y158 PolarHBondContact O-N 2.82Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155L98.4Very high98.4Very high32 Ų3267 Ų6717%0.16835%0.346CS..Hα-helixtrans-65.7-41.9177.4-71.2172.6000111.4N113 L125 W132 V151 A152 A157 Y158 L159N113-L155 HydrophobicContact CB-CD1 4.17Å; L125-L155 HydrophobicContact CD2-CB 4.16Å; L125-L155 HydrophobicContact CD2-CD1 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.91Å; W132-L155 HydrophobicContact CZ3-CD1 4.46Å; V151-L155 HydrophobicContact CG1-CD1 3.98Å; V151-L155 HydrophobicContact CG1-CG 4.31Å; V151-L155 PolarHBondContact O-N 3.31Å; V151-L155 VanDerWaalsContact O-N 3.07Å; A152-L155 PolarHBondContact O-N 3.1Å; L155-A157 PolarHBondContact O-N 2.97Å; L155-Y158 PolarHBondContact O-N 2.98Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 WeakPolarHBondContact O-CG 3.14Å; L155-L159 PolarHBondContact O-N 2.82Å
156R98.5Very high98.4Very high108 Ų10864.7 Ų64.741%0.40833%0.334SS..Hα-helixtrans-57.9-48.2174.4-177.5178.7175.8165.69.8111.4L129 A152 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.12Å; L129-R156 HydrophobicContact CB-CG 3.97Å; L129-R156 HydrophobicContact CD1-CG 4.33Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.38Å; A152-R156 PolarHBondContact O-N 3.43Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.18Å; R156-L159 PolarHBondContact O-N 2.9Å; R156-L159 VanDerWaalsContact O-N 3.17Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 WeakPolarHBondContact CG-OE2 3.45Å; R156-E160 IonicContact CZ-OE1 3.62Å; R156-E160 IonicContact CZ-OE2 3.57Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.39Å; R156-E160 PolarHBondContact NE-OE1 3Å; R156-E160 IonicContact NE-OE2 3.89Å; R156-E160 PolarHBondContact NE-OE2 3.47Å; R156-E160 VanDerWaalsContact NE-OE2 3.07Å; R156-E160 IonicContact NH2-OE1 3.82Å; R156-E160 PolarHBondContact NH2-OE1 2.89Å; R156-E160 IonicContact NH2-OE2 2.81Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 2.93Å
157A98.6Very high98.4Very high65 Ų6561.8 Ų61.854%0.53732%0.323SS..Hα-helixtrans-58.7-39.8177.600000112.4E153 Q154 L155 G161E153-A157 WeakPolarHBondContact O-CB 3.36Å; E153-A157 PolarHBondContact O-N 3.5Å; Q154-A157 PolarHBondContact O-N 3.01Å; L155-A157 PolarHBondContact O-N 2.97Å; A157-G161 PolarHBondContact O-N 3.47Å; A157-G161 VanDerWaalsContact O-N 3.11Å
158Y98.4Very high98.4Very high59 Ų5963 Ų6323%0.23132%0.323CS..Iπ-helixtrans-66.2-47.5173.6171-95.3000112.4Y98 Q154 L155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.78Å; Y98-Y158 HydrophobicContact CD2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CE1 3.65Å; Y98-Y158 HydrophobicContact CE2-CE1 3.65Å; Y98-Y158 AromaticContact CE2-CZ 3.86Å; Q154-Y158 PolarHBondContact O-N 2.82Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; L155-Y158 PolarHBondContact O-N 2.98Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.18Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-T162 HydrophobicContact CD2-CG2 3.91Å; Y158-T162 HydrophobicContact CE2-CG2 3.71Å; Y158-T162 PolarHBondContact O-N 3.29Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.21Å
159L98.6Very high98.4Very high1 Ų164.1 Ų64.11%0.00531%0.308CS..Iπ-helixtrans-69.5-39.1-174.3-71170.3000112.6G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.22Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD2-CD1 3.95Å; L155-L159 WeakPolarHBondContact O-CB 3.45Å; L155-L159 WeakPolarHBondContact O-CG 3.14Å; L155-L159 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 2.9Å; R156-L159 VanDerWaalsContact O-N 3.17Å; L159-V164 WeakPolarHBondContact O-CG2 3.5Å
160E98.3Very high98.4Very high89 Ų8961.4 Ų61.442%0.41629%0.286SS..Iπ-helixtrans-80.1-26.3177.5-69.3179.8162.100112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.4Å; L108-E160 HydrophobicContact CD2-CG 3.67Å; L129-E160 HydrophobicContact CD1-CG 4.27Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 WeakPolarHBondContact CG-OE2 3.45Å; R156-E160 IonicContact CZ-OE1 3.62Å; R156-E160 IonicContact CZ-OE2 3.57Å; R156-E160 VanDerWaalsContact NE-CD 3.28Å; R156-E160 IonicContact NE-OE1 3.39Å; R156-E160 PolarHBondContact NE-OE1 3Å; R156-E160 IonicContact NE-OE2 3.89Å; R156-E160 PolarHBondContact NE-OE2 3.47Å; R156-E160 VanDerWaalsContact NE-OE2 3.07Å; R156-E160 IonicContact NH2-OE1 3.82Å; R156-E160 PolarHBondContact NH2-OE1 2.89Å; R156-E160 IonicContact NH2-OE2 2.81Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 2.93Å
161G98.2Very high98.4Very high21 Ų2154.8 Ų54.822%0.21626%0.262CS..Iπ-helixtrans-106.3-91-178.800000112.9A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.47Å; A157-G161 VanDerWaalsContact O-N 3.11Å; Y158-G161 CarbonylContact O-C 3.59Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 2.8Å; G161-V164 PolarHBondContact O-N 3.38Å; G161-V164 VanDerWaalsContact O-N 3.11Å; G161-E165 WeakPolarHBondContact O-CG 3.38Å; G161-E165 PolarHBondContact O-N 3.16Å
162T98.3Very high98.4Very high48 Ų4858.5 Ų58.529%0.29428%0.277SS..Iπ-helixtrans-53-44.5-170.6-57.80000113.1Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.91Å; Y158-T162 HydrophobicContact CE2-CG2 3.71Å; Y158-T162 PolarHBondContact O-N 3.29Å; Y158-T162 VanDerWaalsContact O-N 3.11Å; T162-V164 PolarHBondContact O-N 3.45Å; T162-E165 PolarHBondContact O-N 2.93Å; T162-W166 VanDerWaalsContact CG2-CD1 3.5Å; T162-W166 WeakPolarHBondContact O-CB 3.21Å; T162-W166 PolarHBondContact O-N 3.35Å
163C98.6Very high98.3Very high0 Ų060.4 Ų60.40%029%0.286CS..Hα-helixtrans-60.9-48.1-179.6-171.10000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.26Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.04Å; C100-C163 PolarHBondContact N-SG 2.93Å; C100-C163 WeakPolarHBondContact SG-CB 3.48Å; C100-C163 PolarHBondContact SG-O 3.09Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.77Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.82Å; Y158-C163 WeakPolarHBondContact O-CB 3.47Å; Y158-C163 PolarHBondContact O-N 3.21Å; G161-C163 VanDerWaalsContact C-N 3.32Å; G161-C163 PolarHBondContact O-N 2.8Å; C163-L167 WeakPolarHBondContact O-CB 3.5Å; C163-L167 PolarHBondContact O-N 3.47Å
164V98.5Very high98.3Very high8 Ų855.4 Ų55.45%0.04826%0.264CS..Hα-helixtrans-63.8-45179.81730000110.9L102 L108 L159 G161 T162 R168L102-V164 HydrophobicContact CD2-CB 4.23Å; L102-V164 HydrophobicContact CD2-CG1 3.86Å; L102-V164 HydrophobicContact CD2-CG2 3.83Å; L108-V164 HydrophobicContact CB-CG2 4.03Å; L108-V164 HydrophobicContact CD1-CG2 3.95Å; L159-V164 WeakPolarHBondContact O-CG2 3.5Å; G161-V164 PolarHBondContact O-N 3.38Å; G161-V164 VanDerWaalsContact O-N 3.11Å; T162-V164 PolarHBondContact O-N 3.45Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 3.05Å
165E98.3Very high98.2Very high124 Ų12453.9 Ų53.958%0.57926%0.255SS*.Hα-helixtrans-61-47.8179.4-71.9173.2175.700112.1G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.38Å; G161-E165 PolarHBondContact O-N 3.16Å; T162-E165 PolarHBondContact O-N 2.93Å; E165-R168 PolarHBondContact O-N 3.04Å; E165-R169 PolarHBondContact O-N 2.88Å
166W98.4Very high98.1Very high61 Ų6159.8 Ų59.823%0.23128%0.282CS..Hα-helixtrans-68.8-40.8179.6-83.1100.6000112.6M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.08Å; M4-W166 HydrophobicContact SD-CB 4.47Å; Y58-W166 AromaticContact CD2-CH2 3.41Å; Y58-W166 HydrophobicContact CD2-CH2 3.41Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.41Å; Y58-W166 AromaticContact CD2-CZ2 3.98Å; Y58-W166 HydrophobicContact CD2-CZ2 3.98Å; Y58-W166 AromaticContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CE2-CE3 4.32Å; Y58-W166 AromaticContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CH2 3.8Å; Y58-W166 HydrophobicContact CE2-CZ2 4.3Å; Y58-W166 AromaticContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CE2-CZ3 3.8Å; Y58-W166 HydrophobicContact CG-CH2 4.46Å; T162-W166 VanDerWaalsContact CG2-CD1 3.5Å; T162-W166 WeakPolarHBondContact O-CB 3.21Å; T162-W166 PolarHBondContact O-N 3.35Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.34Å; W166-R169 WeakPolarHBondContact O-CB 3.29Å; W166-R169 PolarHBondContact O-N 3.14Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.23Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.28Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.31Å
167L98.7Very high97.9Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-60.2-43.9175.5174.451.4000111.1H2 M4 V27 L102 C163 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.41Å; M4-L167 HydrophobicContact CB-CB 4.02Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 3.94Å; M4-L167 HydrophobicContact CB-CG 4.21Å; M4-L167 HydrophobicContact CE-CB 4.31Å; M4-L167 HydrophobicContact SD-CB 4.37Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; L102-L167 HydrophobicContact CB-CD2 4.49Å; L102-L167 HydrophobicContact CD1-CB 4.26Å; L102-L167 HydrophobicContact CD1-CD2 3.63Å; L102-L167 HydrophobicContact CD1-CG 3.73Å; L102-L167 HydrophobicContact CG-CD2 3.57Å; L102-L167 HydrophobicContact CG-CG 4.26Å; C163-L167 WeakPolarHBondContact O-CB 3.5Å; C163-L167 PolarHBondContact O-N 3.47Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.16Å; L167-Y170 PolarHBondContact O-N 2.95Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.79Å
168R98.3Very high97.9Very high122 Ų12253.9 Ų53.946%0.4625%0.251SS..Hα-helixtrans-60-43.7174.4-72.7174.7-178168.20.7112.3L102 G106 V164 E165 W166 L171 E172L102-R168 HydrophobicContact CD1-CG 3.99Å; G106-R168 VanDerWaalsContact O-CZ 3.28Å; G106-R168 PolarHBondContact O-NE 3.21Å; G106-R168 PolarHBondContact O-NH2 3.19Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 3.05Å; E165-R168 PolarHBondContact O-N 3.04Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.34Å; R168-L171 PolarHBondContact O-N 3.02Å; R168-E172 PolarHBondContact O-N 3.34Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.1Very high97.7Very high114 Ų11456.3 Ų56.343%0.4326%0.264SS..Hα-helixtrans-59.9-45.8175.9176.9177.7173.391-5.8111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 2.98Å; E54-R169 IonicContact OE1-NE 3.71Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.77Å; E54-R169 PolarHBondContact OE1-NH2 3.21Å; E54-R169 IonicContact OE2-CZ 3.59Å; E54-R169 IonicContact OE2-NE 3.67Å; E54-R169 PolarHBondContact OE2-NE 3.49Å; E54-R169 IonicContact OE2-NH2 2.74Å; E54-R169 PolarHBondContact OE2-NH2 3.1Å; E165-R169 PolarHBondContact O-N 2.88Å; W166-R169 WeakPolarHBondContact O-CB 3.29Å; W166-R169 PolarHBondContact O-N 3.14Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.16Å; R169-E172 PolarHBondContact O-N 3.44Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 3.24Å
170Y98.4Very high97.6Very high1 Ų161.7 Ų61.70%0.00429%0.285CS..Hα-helixtrans-65.7-38.9178.9-62.1-30.8000112.6M4 V27 F32 W50 V51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.58Å; M4-Y170 VanDerWaalsContact SD-CE2 3.58Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-Y170 HydrophobicContact CG2-CG 4.47Å; F32-Y170 HydrophobicContact CD2-CE2 4.42Å; F32-Y170 HydrophobicContact CE2-CD2 4.34Å; F32-Y170 AromaticContact CE2-CE2 3.65Å; F32-Y170 HydrophobicContact CE2-CE2 3.65Å; F32-Y170 AromaticContact CE2-CZ 3.87Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.82Å; F32-Y170 HydrophobicContact CZ-CE2 3.82Å; W50-Y170 HydrophobicContact CE3-CD1 4.14Å; W50-Y170 HydrophobicContact CE3-CG 4.38Å; W50-Y170 HydrophobicContact CH2-CD2 4.43Å; W50-Y170 HydrophobicContact CH2-CG 4.09Å; W50-Y170 AromaticContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD1 3.54Å; W50-Y170 HydrophobicContact CZ3-CD2 4.19Å; W50-Y170 HydrophobicContact CZ3-CE1 4.21Å; W50-Y170 AromaticContact CZ3-CG 3.53Å; W50-Y170 HydrophobicContact CZ3-CG 3.53Å; V51-Y170 HydrophobicContact CG2-CE1 4.42Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.37Å; Y58-Y170 PolarHBondContact OH-OH 3.15Å; W166-Y170 HydrophobicContact CB-CE2 4.08Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.23Å; W166-Y170 AromaticContact CE3-CZ 3.38Å; W166-Y170 AromaticContact CZ3-CE1 3.82Å; W166-Y170 HydrophobicContact CZ3-CE1 3.82Å; W166-Y170 VanDerWaalsContact O-CD2 3.28Å; W166-Y170 WeakPolarHBondContact O-CD2 3.41Å; W166-Y170 VanDerWaalsContact O-CG 3.24Å; W166-Y170 PolarHBondContact O-N 3.31Å; L167-Y170 PolarHBondContact O-N 2.95Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 2.87Å; Y170-N173 PolarHBondContact O-N 3.49Å; Y170-G174 WeakPolarHBondContact O-CA 3.4Å; Y170-G174 PolarHBondContact O-N 2.9Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å
171L98.1Very high97.6Very high16 Ų1659 Ų598%0.08428%0.277CS..Hα-helixtrans-63.1-37175.3-70.9169.9000112.6H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.76Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.44Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.35Å; V27-L171 HydrophobicContact CG1-CD2 4.15Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.09Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.79Å; R168-L171 PolarHBondContact O-N 3.02Å; L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 2.97Å; L171-K175 VanDerWaalsContact O-N 3.14Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; L171-Q179 PolarHBondContact O-NE2 2.74Å
172E97.9Very high97.7Very high107 Ų10759.6 Ų59.650%0.528%0.276SS..Hα-helixtrans-70.9-49.5174-177.755-139.900111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.34Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.44Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 2.87Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 2.96Å; E172-K175 WeakPolarHBondContact O-CG 3.48Å; E172-K175 PolarHBondContact O-N 3.24Å; E172-K175 IonicContact OE1-NZ 3.13Å; E172-K175 PolarHBondContact OE1-NZ 3.44Å
173N98Very high97.7Very high49 Ų4960.3 Ų60.326%0.26228%0.281SS..Hα-helixtrans-58.3-39.4-180-76-1.2000112.6W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.45Å; Q53-N173 PolarHBondContact NE2-ND2 3Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.19Å; E54-N173 PolarHBondContact OE1-ND2 3.33Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.86Å; R169-N173 PolarHBondContact O-OD1 3.24Å; Y170-N173 PolarHBondContact O-N 3.49Å
174G97.7Very high97.7Very high3 Ų360.7 Ų60.73%0.03128%0.284CS..THydrogen-bonded Turntrans-103.714.5-175.700000114.4Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.4Å; Y170-G174 PolarHBondContact O-N 2.9Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 2.96Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.28Å; G174-E176 VanDerWaalsContact O-N 3.09Å; G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.43Å; G174-T177 PolarHBondContact O-N 2.71Å; G174-T177 PolarHBondContact O-OG1 2.82Å; G174-L178 PolarHBondContact O-N 3.37Å
175K96.8Very high97.7Very high104 Ų10467.9 Ų67.945%0.45231%0.314SS..Hα-helixtrans-51.2-38.2-168.667-173.4171.6-162.90115.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CB 3.21Å; L171-K175 PolarHBondContact O-N 2.97Å; L171-K175 VanDerWaalsContact O-N 3.14Å; E172-K175 WeakPolarHBondContact O-CG 3.48Å; E172-K175 PolarHBondContact O-N 3.24Å; E172-K175 IonicContact OE1-NZ 3.13Å; E172-K175 PolarHBondContact OE1-NZ 3.44Å; K175-T177 PolarHBondContact O-N 3.31Å; K175-T177 VanDerWaalsContact O-N 3.16Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 2.69Å
176E95.4Very high97.7Very high156 Ų15663.7 Ų63.773%0.72930%0.297SS*.Hα-helixtrans-63-23.8179.8-62.1-174.5169.100113G174 R180G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.28Å; G174-E176 VanDerWaalsContact O-N 3.09Å; E176-R180 PolarHBondContact O-NH1 3.41Å; E176-R180 VanDerWaalsContact O-NH1 3.08Å
177T95.3Very high97.7Very high45 Ų4564.5 Ų64.528%0.27630%0.303SS..Hα-helixtrans-105.3-65.9177.955.60000110.3G174 K175 Q179 R180 R238G174-T177 CarbonylContact O-C 3.54Å; G174-T177 WeakPolarHBondContact O-CA 3.43Å; G174-T177 PolarHBondContact O-N 2.71Å; G174-T177 PolarHBondContact O-OG1 2.82Å; K175-T177 PolarHBondContact O-N 3.31Å; K175-T177 VanDerWaalsContact O-N 3.16Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.98Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3.27Å; T177-R238 VanDerWaalsContact CA-NH1 3.34Å; T177-R238 VanDerWaalsContact CB-NH1 3.29Å; T177-R238 PolarHBondContact O-NH1 2.98Å; T177-R238 PolarHBondContact O-NH2 3.37Å
178L96.6Very high97.7Very high4 Ų465.6 Ų65.62%0.02131%0.31CS..Hα-helixtrans-63.2-29-168.2-62.6174.1000114.2V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.3Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.09Å; T30-L178 HydrophobicContact CG2-CD2 4.08Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.84Å; W50-L178 HydrophobicContact CZ2-CD2 4.15Å; W50-L178 HydrophobicContact CZ2-CG 4.42Å; Y170-L178 WeakPolarHBondContact O-CD1 3.39Å; L171-L178 HydrophobicContact CD2-CB 4.1Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; G174-L178 PolarHBondContact O-N 3.37Å
179Q95.8Very high97.7Very high109 Ų10961.3 Ų61.351%0.50930%0.297SS..THydrogen-bonded Turntrans-98.710.6178.9-57.3-176.439.200112.7L171 K175 T177L171-Q179 PolarHBondContact O-NE2 2.74Å; K175-Q179 WeakPolarHBondContact O-CB 3.48Å; K175-Q179 PolarHBondContact O-N 2.69Å; T177-Q179 VanDerWaalsContact C-N 3.29Å; T177-Q179 PolarHBondContact O-N 2.98Å
180R97.1Very high97.7Very high114 Ų11458.1 Ų58.143%0.4329%0.287SS..  trans-106.9120.3177.4-168.9-176.877.1-142.65.3110.2E176 T177 D182 Y208E176-R180 PolarHBondContact O-NH1 3.41Å; E176-R180 VanDerWaalsContact O-NH1 3.08Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3.27Å; R180-D182 IonicContact CZ-OD1 3.51Å; R180-D182 IonicContact CZ-OD2 3.54Å; R180-D182 IonicContact NE-OD1 3.59Å; R180-D182 PolarHBondContact NE-OD1 3.29Å; R180-D182 IonicContact NE-OD2 3.28Å; R180-D182 IonicContact NH2-OD1 2.7Å; R180-D182 PolarHBondContact NH2-OD1 2.97Å; R180-D182 IonicContact NH2-OD2 3.86Å; R180-D182 PolarHBondContact NH2-OD2 3.24Å; R180-Y208 WeakPolarHBondContact O-CD1 3.36Å
181A98.1Very high97.7Very high32 Ų3261.9 Ų61.926%0.26431%0.305SS..  trans-87.8125.6166.600000109.8Y208 E263A181-Y208 CarbonylContact C-O 3.6Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.46Å; A181-E263 HydrophobicContact CB-CG 3.94Å; A181-E263 WeakPolarHBondContact CB-OE1 3.44Å
182D98.4Very high97.6Very high35 Ų3565.9 Ų65.919%0.18733%0.332CS..BIsolated β-bridgetrans-97115.2174.8-67.6-34.9000107.6R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.51Å; R180-D182 IonicContact CZ-OD2 3.54Å; R180-D182 IonicContact NE-OD1 3.59Å; R180-D182 PolarHBondContact NE-OD1 3.29Å; R180-D182 IonicContact NE-OD2 3.28Å; R180-D182 IonicContact NH2-OD1 2.7Å; R180-D182 PolarHBondContact NH2-OD1 2.97Å; R180-D182 IonicContact NH2-OD2 3.86Å; R180-D182 PolarHBondContact NH2-OD2 3.24Å; D182-F207 CarbonylContact O-C 3.48Å; D182-F207 WeakPolarHBondContact O-CA 3.46Å; D182-F207 WeakPolarHBondContact O-CB 3.29Å; D182-Y208 PolarHBondContact N-O 2.85Å; D182-Y208 PolarHBondContact O-N 3.09Å; D182-H262 PolarHBondContact O-CE1 2.86Å
183P98.6Very high97.4Very high62 Ų6265.5 Ų65.540%0.40333%0.332SS..  trans-70.7149.8-176.326.2-33.2000112.5K185 L265P183-K185 PolarHBondContact O-N 2.99Å; P183-L265 HydrophobicContact CB-CD2 3.91Å; P183-L265 HydrophobicContact CB-CG 4.43Å
184P98.8Very high97.3Very high8 Ų865.7 Ų65.75%0.05234%0.337CS..  trans-67.6133.1179.428.3-35.4000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.16Å; P184-T186 PolarHBondContact O-N 3.45Å; P184-A204 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.17Å; P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.92Å; P184-H262 HydrophobicContact CG-CB 4.05Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.25Å
185K98.8Very high97Very high159 Ų15972.7 Ų72.769%0.69137%0.374SS*.EExtended strand (participates in β ladder)trans-77.7114.8162.6-63.2174.5-173.2170.50107.7P183 L205P183-K185 PolarHBondContact O-N 2.99Å; K185-L205 PolarHBondContact N-O 2.87Å; K185-L205 PolarHBondContact O-N 2.83Å
186T98.7Very high96.9Very high36 Ų3674.6 Ų74.622%0.22138%0.384CS..EExtended strand (participates in β ladder)trans-114.3142.8-171.551.40000112P184 W203 A204 V260 L269P184-T186 HydrophobicContact CB-CG2 3.97Å; P184-T186 HydrophobicContact CG-CG2 4.16Å; P184-T186 PolarHBondContact O-N 3.45Å; T186-W203 WeakPolarHBondContact CA-O 3.47Å; T186-A204 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.37Å
187H98.6Very high97Very high79 Ų7971.5 Ų71.537%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-159.4160.4172.563.2-77.2000110.1W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.38Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 3.15Å
188V98.8Very high97.1Very high22 Ų2269.4 Ų69.413%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-112131.1175.5-1790000108.9L200 R201 C202 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; V188-R201 CarbonylContact C-O 3.53Å; V188-R201 WeakPolarHBondContact CA-O 3.28Å; V188-C202 HydrophobicContact CG2-CB 4.5Å; V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.25Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.94Å
189T98.5Very high97.2Very high32 Ų3270.2 Ų70.220%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-107.4148171.165.50000110.5H191 L200 R201T189-H191 PolarHBondContact OG1-NE2 3.23Å; T189-L200 WeakPolarHBondContact O-CA 3.41Å; T189-R201 PolarHBondContact N-O 2.9Å; T189-R201 PolarHBondContact O-N 3.34Å
190H98.1Very high97.3Very high48 Ų4865 Ų6522%0.22234%0.338CS..EExtended strand (participates in β ladder)trans-118.8127.8179.6171.1-94.6000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H190-T199 WeakPolarHBondContact CA-O 3.5Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; H190-E253 IonicContact NE2-OE1 3.95Å; H190-W273 HydrophobicContact CB-CD2 3.85Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.97Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.8Å
191H97.1Very high97.4Very high79 Ų7962.1 Ų62.137%0.36633%0.327SS..EExtended strand (participates in β ladder)trans-130.4104.3-178.7-57.4-74.1000109.8T189 I193 A198 T199 R201T189-H191 PolarHBondContact OG1-NE2 3.23Å; H191-I193 PolarHBondContact O-N 3.15Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.24Å; H191-T199 PolarHBondContact N-O 2.64Å; H191-T199 PolarHBondContact O-N 3.24Å; H191-R201 PolarHBondContact CD2-NH1 3.4Å; H191-R201 PolarHBondContact NE2-NH1 2.66Å
192P96.2Very high97.4Very high100 Ų10060.6 Ų60.665%0.64931%0.314SS*.EExtended strand (participates in β ladder)trans-57.2132173.1-22.432.4000111
193I94.9Very high97.5Very high99 Ų9961.2 Ų61.251%0.50831%0.314SS..  trans-103.4-42.3175.5-55169.6000109.6H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.15Å; I193-E197 PolarHBondContact N-O 3.2Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.44Å; I193-V247 HydrophobicContact CD1-CG1 4.02Å; I193-V247 HydrophobicContact CD1-CG2 4.05Å
194S94.9Very high97.5Very high53 Ų5358.3 Ų58.337%0.37130%0.295SS..SBendtrans-148.2-178.1177.572.10000110.4H196 E197S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.25Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 3.18Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 PolarHBondContact OG-N 3.14Å
195D92.6Very high97.5Very high151 Ų15160.5 Ų60.581%0.80731%0.306SS*.SBendtrans-65.4-10.4172.3-65.4-22.4000113.3
196H94.8Very high97.5Very high143 Ų14354.1 Ų54.166%0.66229%0.285SS*.SBendtrans-115.8-16.8-175.1-56.2-46000113.6S194 P249 S250S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.25Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; H196-S250 VanDerWaalsContact C-OG 3.23Å; H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 2.85Å
197E96.4Very high97.5Very high91 Ų9152.4 Ų52.443%0.42528%0.275SS..EExtended strand (participates in β ladder)trans-144.3146.5-170-67.1-178.6157.600112.5I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.2Å; S194-E197 PolarHBondContact N-O 3.18Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 PolarHBondContact OG-N 3.14Å; E197-V247 HydrophobicContact CB-CG1 4Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; E197-S250 PolarHBondContact N-OG 3Å
198A97.6Very high97.5Very high1 Ų148.8 Ų48.81%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-136.4154.7171.500000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.24Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 PolarHBondContact O-N 2.94Å
199T98.4Very high97.4Very high21 Ų2148.6 Ų48.613%0.12926%0.257CS..EExtended strand (participates in β ladder)trans-91.1124.7168.2-54.30000109.8H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.5Å; H191-T199 PolarHBondContact N-O 2.64Å; H191-T199 PolarHBondContact O-N 3.24Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.44Å; T199-A245 HydrophobicContact CG2-CB 3.85Å; T199-V246 WeakPolarHBondContact CA-O 3.38Å
200L98.7Very high97.4Very high0 Ų048 Ų480%026%0.255CS..EExtended strand (participates in β ladder)trans-94.8124.3161.9-62.5-176.5000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.4Å; V188-L200 HydrophobicContact CG1-CD2 4.43Å; T189-L200 WeakPolarHBondContact O-CA 3.41Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 2.81Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.08Å; L200-V246 PolarHBondContact O-N 3.32Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.12Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; L200-Y256 HydrophobicContact CD1-CG 4.48Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.17Å
201R98.8Very high97.5Very high53 Ų5352.6 Ų52.620%0.228%0.277CS..EExtended strand (participates in β ladder)trans-119.5117.8177-175.4178.8-66.1115.90.2110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.53Å; V188-R201 WeakPolarHBondContact CA-O 3.28Å; T189-R201 PolarHBondContact N-O 2.9Å; T189-R201 PolarHBondContact O-N 3.34Å; H191-R201 PolarHBondContact CD2-NH1 3.4Å; H191-R201 PolarHBondContact NE2-NH1 2.66Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A245 HydrophobicContact CB-CB 4.13Å; R201-A245 HydrophobicContact CG-CB 4.18Å
202C98.8Very high97.5Very high0 Ų049.4 Ų49.40%026%0.262CS..EExtended strand (participates in β ladder)trans-91.1122.6174.5-1730000109.8V188 W216 W243 A244 C258V188-C202 HydrophobicContact CG2-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.66Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.49Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.48Å; C202-A244 PolarHBondContact N-O 3.12Å; C202-A244 PolarHBondContact O-N 3.49Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.13Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.79Å
203W98.8Very high97.7Very high49 Ų4947.4 Ų47.419%0.18625%0.248CC..EExtended strand (participates in β ladder)trans-104.2142.1-179.8-71.290.3000111.2T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.47Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.38Å; H187-W203 AromaticContact CE1-CD1 3.99Å; H187-W203 AromaticContact CE1-CG 3.72Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 3.15Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.97Å; W203-W243 HydrophobicContact CE3-CG 4.27Å; W203-W243 HydrophobicContact CG-CB 4.42Å; W203-W243 AromaticContact CH2-CD1 3.6Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ2-CG 4.5Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.46Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.46Å; W203-W243 HydrophobicContact CZ3-CG 4.15Å
204A98.9Very high97.8Very high0 Ų043 Ų430%023%0.226CC..EExtended strand (participates in β ladder)trans-125.7122.8162.300000108.1P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.84Å; T186-A204 HydrophobicContact CG2-CB 4.32Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.49Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.37Å; A204-K242 PolarHBondContact N-O 2.7Å; A204-K242 PolarHBondContact O-N 3Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high98Very high55 Ų5542.2 Ų42.229%0.28822%0.219SC..EExtended strand (participates in β ladder)trans-130.1148.6-175.3-59.1177000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.87Å; K185-L205 PolarHBondContact O-N 2.83Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.36Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.08Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206G98.5Very high98.3Very high25 Ų2535.1 Ų35.126%0.25818%0.181SC..EExtended strand (participates in β ladder)trans70.827.1167.700000114.1T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.44Å; G206-F240 PolarHBondContact N-O 3.1Å
207F98.8Very high98.5Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-98.7153.2-179.260.4-88.4000112.7D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.48Å; D182-F207 WeakPolarHBondContact O-CA 3.46Å; D182-F207 WeakPolarHBondContact O-CB 3.29Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.95Å; P184-F207 HydrophobicContact CB-CG 4.17Å; A204-F207 HydrophobicContact CB-CD1 4.06Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.08Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.46Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.84Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; F207-T232 HydrophobicContact CE2-CG2 4.07Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.32Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.3Å; F207-F240 PolarHBondContact O-N 2.8Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å
208Y98.6Very high98.6Very high3 Ų329.5 Ų29.51%0.01215%0.152CC..BIsolated β-bridgetrans-148.6137.3171.5177.6-82.4000108.1D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.81Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.5Å; T30-Y208 PolarHBondContact OG1-OH 3.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.36Å; A181-Y208 CarbonylContact C-O 3.6Å; A181-Y208 VanDerWaalsContact CA-O 3.28Å; A181-Y208 WeakPolarHBondContact CA-O 3.46Å; D182-Y208 PolarHBondContact N-O 2.85Å; D182-Y208 PolarHBondContact O-N 3.09Å; Y208-R238 HydrophobicContact CD2-CG 3.85Å; Y208-R238 HydrophobicContact CE2-CG 4.02Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å; Y208-F240 HydrophobicContact CD2-CE2 4.11Å; Y208-H262 PolarHBondContact O-CE1 3.16Å; Y208-H262 PolarHBondContact O-NE2 3.16Å
209P98.4Very high98.5Very high18 Ų1834.3 Ų34.312%0.11718%0.177CC..SBendcis-71.7-177.30.430.3-37.3000113.4D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.45Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.46Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.25Å; P209-H262 PolarHBondContact O-NE2 3.24Å; P209-E263 VanDerWaalsContact CD-CD 3.44Å; P209-E263 WeakPolarHBondContact CD-OE1 3.23Å; P209-E263 HydrophobicContact CG-CG 3.86Å; P209-E263 VanDerWaalsContact CG-OE1 3.24Å; P209-E263 WeakPolarHBondContact CG-OE1 3.46Å
210A98.5Very high98.3Very high18 Ų1835.6 Ų35.615%0.14920%0.195CC..SBendtrans-70.7-23.7-176.200000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.38Å; D29-A210 PolarHBondContact OD2-N 3.37Å; A210-I212 PolarHBondContact O-N 3.08Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.79Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.85Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.5Very high98.3Very high146 Ų14642.5 Ų42.568%0.68223%0.227SC*.  trans-66.6117.6-178.4-173.657.4-14300110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.25Å; E211-H262 PolarHBondContact O-CD2 2.79Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å
212I98.7Very high98.2Very high12 Ų1244.4 Ų44.46%0.06224%0.241CC..  trans-153.7143.7-178-163.2171.3000109.8P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.25Å; F207-I212 HydrophobicContact CD2-CD1 3.95Å; F207-I212 HydrophobicContact CE1-CD1 3.78Å; F207-I212 HydrophobicContact CE1-CG2 4.47Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.91Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.96Å; F207-I212 HydrophobicContact CZ-CB 4.15Å; F207-I212 HydrophobicContact CZ-CD1 3.84Å; F207-I212 HydrophobicContact CZ-CG2 3.57Å; A210-I212 PolarHBondContact O-N 3.08Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; I212-K242 HydrophobicContact CG2-CB 4.33Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.36Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.16Å
213T98.6Very high98.1Very high57 Ų5745.7 Ų45.735%0.3525%0.247SC..EExtended strand (participates in β ladder)trans-114123172.6-60.20000110T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.02Å; T213-V260 WeakPolarHBondContact O-CA 3.33Å; T213-Q261 PolarHBondContact N-O 3.19Å; T213-Q261 PolarHBondContact O-N 2.62Å
214L98.6Very high97.9Very high7 Ų748.5 Ų48.54%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-118.1124.4171.8-8663.3000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-L214 HydrophobicContact CB-CG 4.49Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.59Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; L214-L229 HydrophobicContact CB-CD1 4.29Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.36Å; L214-H259 WeakPolarHBondContact CA-O 3.35Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.35Å
215T98.5Very high97.7Very high37 Ų3757.6 Ų57.623%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-136.4146179.2470000110.6T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.02Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.35Å; T215-H259 PolarHBondContact N-O 2.9Å; T215-H259 PolarHBondContact O-N 2.95Å; T215-H259 WeakPolarHBondContact OG1-CB 3.46Å
216W98.7Very high97.4Very high2 Ų260.4 Ų60.41%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-103.6136.6169.3-83.1105.2000109.7V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.87Å; V188-W216 HydrophobicContact CG1-CZ2 4.25Å; V188-W216 HydrophobicContact CG2-CH2 4.25Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.66Å; W216-Q223 HydrophobicContact CB-CB 4.37Å; W216-Q223 PolarHBondContact O-N 2.93Å; W216-A244 PolarHBondContact NE1-O 2.95Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 WeakPolarHBondContact CA-O 3.33Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.04Å
217Q98.6Very high97.4Very high42 Ų4260.3 Ų60.320%0.19632%0.322CS..EExtended strand (participates in β ladder)trans-119.1144.7171.2-69.5-174.2-10.200110.1E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 WeakPolarHBondContact CA-O 3.4Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 2.82Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.45Å; Q217-T257 PolarHBondContact N-O 3.49Å; Q217-T257 PolarHBondContact O-N 3.19Å; Q217-H259 PolarHBondContact OE1-NE2 3.04Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å
218R98.2Very high97.3Very high73 Ų7365.9 Ų65.928%0.27535%0.348SS..EExtended strand (participates in β ladder)trans-116.2119.1167.7-176.3-171.8-175.3179.20.9108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 2.66Å; R218-E221 PolarHBondContact N-O 3.38Å; R218-E221 PolarHBondContact O-N 3.01Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.51Å; R218-E252 IonicContact NE-OE2 3.69Å; R218-E252 IonicContact NH2-OE1 3.76Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 3.44Å; R218-R255 WeakPolarHBondContact CA-O 3.31Å; R218-R255 HydrophobicContact CG-CB 4.43Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.06Å
219D96.9Very high97.3Very high102 Ų10270 Ų7055%0.54537%0.37SS..THydrogen-bonded Turntrans51.129-175-52.7-49.4000114.1R255D219-R255 PolarHBondContact N-O 3.01Å; D219-R255 WeakPolarHBondContact OD1-CB 3.45Å; D219-R255 IonicContact OD1-NE 3.76Å; D219-R255 PolarHBondContact OD1-NE 2.61Å; D219-R255 IonicContact OD2-CZ 3.76Å; D219-R255 IonicContact OD2-NE 3Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 3.95Å; D219-R255 PolarHBondContact OD2-NH2 3.36Å
220G94.2Very high97.3Very high48 Ų4870.6 Ų70.650%0.49537%0.373SS..THydrogen-bonded Turntrans91-1.1-177.900000115.7R218R218-G220 PolarHBondContact O-N 2.66Å
221E97.4Very high97.3Very high145 Ų14578 Ų7868%0.67841%0.405SS*.EExtended strand (participates in β ladder)trans-99.2128.9177.1-63.3-172.1171.800112.2Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 WeakPolarHBondContact CA-O 3.4Å; R218-E221 PolarHBondContact N-O 3.38Å; R218-E221 PolarHBondContact O-N 3.01Å; E221-Q223 PolarHBondContact O-N 3.44Å; E221-Q223 PolarHBondContact O-NE2 2.83Å
222D97.3Very high97.3Very high93 Ų9373.1 Ų73.150%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-62.3131.7-179.2-71-14.8000112.3Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.33Å; Q217-D222 PolarHBondContact NE2-OD1 2.82Å; D222-T224 PolarHBondContact O-N 2.83Å
223Q97Very high97.3Very high27 Ų2777 Ų7713%0.12640%0.399CS..  trans-10142.2-177.6-57.7-60.8-7300112W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.37Å; W216-Q223 PolarHBondContact O-N 2.93Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-N 3.44Å; E221-Q223 PolarHBondContact O-NE2 2.83Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.85Å; Q223-D226 PolarHBondContact O-N 2.8Å; Q223-T227 WeakPolarHBondContact O-CB 3.02Å; Q223-T227 PolarHBondContact O-N 3.33Å; Q223-T227 PolarHBondContact O-OG1 2.74Å; Q223-V246 HydrophobicContact CB-CG1 4.39Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T93.9Very high97.3Very high109 Ų10978.9 Ų78.967%0.66941%0.412SS*.THydrogen-bonded Turntrans-59.7-36.1-169.7-49.30000113.8D222D222-T224 PolarHBondContact O-N 2.83Å
225Q94.6Very high97.2Very high190 Ų19081 Ų8189%0.88843%0.43SS*.THydrogen-bonded Turntrans-76.3-29.6-179.1-66.2-173.3-1.900112.9Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 2.85Å
226D93.4Very high97.1Very high114 Ų11482.9 Ų82.961%0.6146%0.458SS*.THydrogen-bonded Turntrans-96.8-1.9-176.5-55.2-60.1000112.7Q223Q223-D226 PolarHBondContact O-N 2.8Å
227T97.3Very high97Very high24 Ų2488 Ų8815%0.14749%0.485CS..  trans-90.9119.8179.3-62.20000110.8Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.02Å; Q223-T227 PolarHBondContact O-N 3.33Å; Q223-T227 PolarHBondContact O-OG1 2.74Å; T227-L229 HydrophobicContact CG2-CB 4.41Å; T227-L229 PolarHBondContact O-N 2.02Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.42Å
228E98.1Very high96.9Very high116 Ų11688.8 Ų88.854%0.54249%0.486SS..EExtended strand (participates in β ladder)trans-76.3112.7162.8-172.4-174.8-172.800109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.82Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.4Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.35Å; E228-A244 CarbonylContact O-C 3.47Å; E228-A244 WeakPolarHBondContact O-CA 2.93Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 3Å; E228-A245 PolarHBondContact O-N 2.82Å
229L98.1Very high96.9Very high89 Ų8986.2 Ų86.247%0.46648%0.479SS..EExtended strand (participates in β ladder)trans-119.3118.1-178.3-172.368.6000110.3L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.29Å; T227-L229 HydrophobicContact CG2-CB 4.41Å; T227-L229 PolarHBondContact O-N 2.02Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
230V98.1Very high97Very high32 Ų3282.6 Ų82.619%0.19446%0.458CS..PPolyproline II helixtrans-82153.7175.6-65.60000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.3Å; V230-K242 PolarHBondContact O-NZ 2.97Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.31Å; V230-W243 PolarHBondContact N-O 2.68Å
231E98.1Very high97.2Very high172 Ų17282.6 Ų82.680%0.80445%0.445SS*.PPolyproline II helixtrans-55.9145.6166.6-68.4-174.1173.200111R233E231-R233 PolarHBondContact O-N 3Å
232T98.6Very high97.2Very high45 Ų4576.7 Ų76.728%0.27642%0.417SS..PPolyproline II helixtrans-66.2128.4172.2-57.40000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.07Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.31Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.28Å; T232-K242 PolarHBondContact OG1-NZ 3.28Å
233R98.5Very high97.3Very high94 Ų9473.5 Ų73.536%0.35540%0.398SS..EExtended strand (participates in β ladder)trans-126.9144.9-173.468.8-168.6-177.5-162.5-0.6111.6E231 F240 Q241E231-R233 PolarHBondContact O-N 3Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 3.48Å; R233-Q241 VanDerWaalsContact NE-NE2 3.17Å; R233-Q241 WeakPolarHBondContact O-CG 3.31Å; R233-Q241 PolarHBondContact O-N 2.79Å
234P98.3Very high97.4Very high95 Ų9572.2 Ų72.262%0.61739%0.392SS*.EExtended strand (participates in β ladder)trans-69.5145179.429.3-35000111.1F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A97.8Very high97.6Very high51 Ų5167.1 Ų67.142%0.42136%0.361SS..  trans-89.2-15.8172.400000113D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; A235-T239 WeakPolarHBondContact CB-O 3.18Å; A235-T239 PolarHBondContact N-O 3.38Å
236G96.3Very high97.8Very high78 Ų7858.2 Ų58.280%0.80432%0.32SS*.SBendtrans95.1-4.5179.600000114.6
237D96.2Very high98Very high109 Ų10956.4 Ų56.458%0.58331%0.313SS*.SBendtrans-116.330.7-179.665-3.7000112.1A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.44Å; D237-T239 PolarHBondContact O-N 3.02Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 3.43Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.46Å
238R95.9Very high98.1Very high59 Ų5955.3 Ų55.322%0.22331%0.306CS..SBendtrans75.9-22-169.4-175.1-177.3173.9-133.6-12.2115.1T30 T177 Y208T30-R238 PolarHBondContact OG1-NE 2.93Å; T177-R238 VanDerWaalsContact CA-NH1 3.34Å; T177-R238 VanDerWaalsContact CB-NH1 3.29Å; T177-R238 PolarHBondContact O-NH1 2.98Å; T177-R238 PolarHBondContact O-NH2 3.37Å; Y208-R238 HydrophobicContact CD2-CG 3.85Å; Y208-R238 HydrophobicContact CE2-CG 4.02Å; Y208-R238 VanDerWaalsContact CZ-NH2 3.27Å
239T98.4Very high98Very high18 Ų1851.9 Ų51.911%0.1129%0.294CS..  trans-85.4169.4-178.275.10000112.9G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.44Å; F207-T239 CarbonylContact O-C 3.59Å; F207-T239 WeakPolarHBondContact O-CA 3.39Å; A235-T239 WeakPolarHBondContact CB-O 3.18Å; A235-T239 PolarHBondContact N-O 3.38Å; D237-T239 PolarHBondContact O-N 3.02Å; D237-T239 WeakPolarHBondContact OD1-CB 3.44Å; D237-T239 PolarHBondContact OD1-N 3.43Å; D237-T239 VanDerWaalsContact OD1-N 3.1Å; D237-T239 PolarHBondContact OD1-OG1 3.46Å
240F98.8Very high97.9Very high27 Ų2750.4 Ų50.412%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-119.3163.1179.7-64.4-88.4000111.8D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.8Å; G206-F240 PolarHBondContact N-O 3.1Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.32Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.47Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.3Å; F207-F240 PolarHBondContact O-N 2.8Å; Y208-F240 HydrophobicContact CD2-CE2 4.11Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.79Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.85Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.8Very high97.8Very high47 Ų4752.1 Ų52.122%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-140146.8173.943.5165.7-16.200110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.37Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.59Å; R233-Q241 PolarHBondContact N-O 3.48Å; R233-Q241 VanDerWaalsContact NE-NE2 3.17Å; R233-Q241 WeakPolarHBondContact O-CG 3.31Å; R233-Q241 PolarHBondContact O-N 2.79Å
242K98.8Very high97.8Very high22 Ų2246.4 Ų46.410%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-151.4154177-162.8-176.6-172.269.70109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.7Å; A204-K242 PolarHBondContact O-N 3Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.33Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 WeakPolarHBondContact O-CE 3.3Å; V230-K242 PolarHBondContact O-NZ 2.97Å; T232-K242 WeakPolarHBondContact OG1-CD 3.28Å; T232-K242 PolarHBondContact OG1-NZ 3.28Å
243W98.8Very high97.7Very high25 Ų2545.3 Ų45.310%0.09528%0.28CS..EExtended strand (participates in β ladder)trans-142.1156.1168.160.1-99.7000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.97Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.49Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.48Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CE3-CB 3.89Å; W203-W243 AromaticContact CE3-CD1 3.97Å; W203-W243 HydrophobicContact CE3-CG 4.27Å; W203-W243 HydrophobicContact CG-CB 4.42Å; W203-W243 AromaticContact CH2-CD1 3.6Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ2-CG 4.5Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.46Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.46Å; W203-W243 HydrophobicContact CZ3-CG 4.15Å; E228-W243 HydrophobicContact CB-CZ3 4.14Å; E228-W243 HydrophobicContact CG-CH2 3.82Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.4Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.35Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.36Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.2Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.46Å; V230-W243 WeakPolarHBondContact CG2-O 3.31Å; V230-W243 PolarHBondContact N-O 2.68Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.62Å
244A98.7Very high97.6Very high0 Ų046.2 Ų46.20%029%0.288CS..EExtended strand (participates in β ladder)trans-128.8133173.500000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.12Å; C202-A244 PolarHBondContact O-N 3.49Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.36Å; W216-A244 PolarHBondContact NE1-O 2.95Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; E228-A244 CarbonylContact O-C 3.47Å; E228-A244 WeakPolarHBondContact O-CA 2.93Å; L229-A244 HydrophobicContact CD1-CB 3.62Å
245A98.6Very high97.6Very high2 Ų246.3 Ų46.32%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-127.9146.2-179.300000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.85Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 2.81Å; R201-A245 HydrophobicContact CB-CB 4.13Å; R201-A245 HydrophobicContact CG-CB 4.18Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; E228-A245 HydrophobicContact CB-CB 4.47Å; E228-A245 PolarHBondContact N-O 3Å; E228-A245 PolarHBondContact O-N 2.82Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.62Å
246V98.4Very high97.7Very high4 Ų444.3 Ų44.32%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-131.5145.6173.2-72.90000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.38Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.08Å; L200-V246 PolarHBondContact O-N 3.32Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.46Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.4Å; W216-V246 HydrophobicContact CG-CG1 3.69Å; W216-V246 HydrophobicContact CG-CG2 3.8Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.39Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.42Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.38Å
247V98.3Very high97.8Very high76 Ų7641 Ų4146%0.46122%0.222SC..EExtended strand (participates in β ladder)trans-87.3128.4167.9-1790000107.6I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 4.02Å; I193-V247 HydrophobicContact CD1-CG2 4.05Å; E197-V247 HydrophobicContact CB-CG1 4Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å
248V97.6Very high97.9Very high0 Ų035.8 Ų35.80%019%0.194CC..EExtended strand (participates in β ladder)trans-126.6145.5-175.8-51.60000110.4E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.45Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 PolarHBondContact O-N 2.94Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.12Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; V248-Y256 HydrophobicContact CB-CD2 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.65Å; V248-Y256 HydrophobicContact CG1-CE1 3.62Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å
249P97.6Very high98Very high44 Ų4434.7 Ų34.729%0.28619%0.192SC..EExtended strand (participates in β ladder)trans-63.1140.7170.4-2032.3000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.19Å; P249-G251 PolarHBondContact O-N 3.09Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.43Å; P249-E252 PolarHBondContact O-N 2.91Å; P249-E252 VanDerWaalsContact O-N 3.07Å
250S95.6Very high98Very high59 Ų5933.8 Ų33.841%0.41319%0.186SC..THydrogen-bonded Turntrans-59.5129.6176-62.40000111.3H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.23Å; H196-S250 PolarHBondContact O-N 2.82Å; H196-S250 PolarHBondContact O-OG 2.85Å; E197-S250 PolarHBondContact N-OG 3Å; S250-E253 WeakPolarHBondContact CA-OE1 3.26Å
251G95.4Very high98Very high68 Ų6837.6 Ų37.670%0.70120%0.204SC*.THydrogen-bonded Turntrans89.2-5.3-176.300000114.7P249 E253P249-G251 PolarHBondContact O-N 3.09Å; G251-E253 WeakPolarHBondContact CA-OE2 3.13Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.86Å; G251-E253 PolarHBondContact N-OE2 2.91Å
252E97.6Very high98Very high52 Ų5236.1 Ų36.124%0.24320%0.197CC..  trans-100.94.1175.9-65.7-160.5-162.600113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 3.51Å; R218-E252 IonicContact NE-OE2 3.69Å; R218-E252 IonicContact NH2-OE1 3.76Å; R218-E252 IonicContact NH2-OE2 2.68Å; R218-E252 PolarHBondContact NH2-OE2 3.44Å; P249-E252 HydrophobicContact CB-CB 4.33Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.43Å; P249-E252 PolarHBondContact O-N 2.91Å; P249-E252 VanDerWaalsContact O-N 3.07Å; E252-Q254 PolarHBondContact O-N 3.35Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.29Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.49Å; E252-R255 PolarHBondContact O-N 2.86Å; E252-R255 IonicContact OE1-NH1 3.45Å; E252-R255 IonicContact OE2-CZ 3.93Å; E252-R255 IonicContact OE2-NE 2.86Å; E252-R255 IonicContact OE2-NH1 3.42Å; E252-R255 PolarHBondContact OE2-NH1 2.87Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.21Å
253E97.4Very high98Very high22 Ų2241.4 Ų41.410%0.10322%0.222CC..G310 helixtrans-57.3-34.8-169.4-57.781.7-179.800112.6H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.95Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; V248-E253 HydrophobicContact CG2-CG 4.02Å; S250-E253 WeakPolarHBondContact CA-OE1 3.26Å; G251-E253 WeakPolarHBondContact CA-OE2 3.13Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.86Å; G251-E253 PolarHBondContact N-OE2 2.91Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.84Å; E253-Y256 PolarHBondContact O-N 3.07Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; E253-W273 HydrophobicContact CB-CE3 3.63Å; E253-W273 HydrophobicContact CB-CZ3 4.13Å; E253-W273 HydrophobicContact CG-CE3 3.71Å; E253-W273 HydrophobicContact CG-CZ3 3.85Å
254Q97.4Very high97.9Very high112 Ų11241.2 Ų41.252%0.52323%0.228SC..G310 helixtrans-71.8-16.4-179.1-64.2-58-46.200114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 3.35Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 2.94Å; Q254-R272 PolarHBondContact O-NE 3.39Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; Q254-W273 PolarHBondContact NE2-O 2.98Å
255R98Very high97.9Very high98 Ų9842.4 Ų42.437%0.3724%0.235SC..G310 helixtrans-73.5-17.7172.4-63.9174.767.4179.66.1112R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.31Å; R218-R255 HydrophobicContact CG-CB 4.43Å; D219-R255 PolarHBondContact N-O 3.01Å; D219-R255 WeakPolarHBondContact OD1-CB 3.45Å; D219-R255 IonicContact OD1-NE 3.76Å; D219-R255 PolarHBondContact OD1-NE 2.61Å; D219-R255 IonicContact OD2-CZ 3.76Å; D219-R255 IonicContact OD2-NE 3Å; D219-R255 PolarHBondContact OD2-NE 2.88Å; D219-R255 IonicContact OD2-NH2 3.95Å; D219-R255 PolarHBondContact OD2-NH2 3.36Å; E252-R255 VanDerWaalsContact CD-NH1 3.29Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.49Å; E252-R255 PolarHBondContact O-N 2.86Å; E252-R255 IonicContact OE1-NH1 3.45Å; E252-R255 IonicContact OE2-CZ 3.93Å; E252-R255 IonicContact OE2-NE 2.86Å; E252-R255 IonicContact OE2-NH1 3.42Å; E252-R255 PolarHBondContact OE2-NH1 2.87Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 2.84Å
256Y98.5Very high97.9Very high8 Ų848.6 Ų48.63%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-97.5131.2-176.9-69.2-99.5000111.5L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.48Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.45Å; R218-Y256 HydrophobicContact CB-CD1 4.09Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.06Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.38Å; V248-Y256 HydrophobicContact CB-CD2 4.05Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.74Å; V248-Y256 HydrophobicContact CG1-CD2 3.65Å; V248-Y256 HydrophobicContact CG1-CE1 3.62Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.73Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.21Å; E253-Y256 PolarHBondContact O-N 3.07Å; E253-Y256 VanDerWaalsContact O-N 3.12Å; Q254-Y256 PolarHBondContact O-N 2.94Å
257T98.6Very high97.8Very high8 Ų856.3 Ų56.35%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-125.1132.5174.644.40000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.33Å; Q217-T257 PolarHBondContact N-O 3.49Å; Q217-T257 PolarHBondContact O-N 3.19Å; T257-H259 WeakPolarHBondContact CB-NE2 3.46Å; T257-H259 PolarHBondContact O-CD2 2.9Å; T257-H259 PolarHBondContact OG1-NE2 2.83Å; T257-T270 HydrophobicContact CG2-CG2 3.83Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.46Å; T257-R272 HydrophobicContact CG2-CG 3.62Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.29Å
258C98.7Very high97.8Very high0 Ų056.6 Ų56.60%031%0.312CS..EExtended strand (participates in β ladder)trans-89.9130.8168.1175.80000110C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.13Å; C202-C258 WeakPolarHBondContact SG-CB 3.32Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 2.79Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.35Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.05Å; W216-C258 HydrophobicContact CZ3-CB 4.04Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.14Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.92Å; C258-L271 PolarHBondContact O-N 2.81Å
259H98.6Very high97.9Very high36 Ų3659.5 Ų59.517%0.16733%0.327CS..EExtended strand (participates in β ladder)trans-111.8129.7176.6-62.8-104.7000110.2L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.35Å; T215-H259 PolarHBondContact N-O 2.9Å; T215-H259 PolarHBondContact O-N 2.95Å; T215-H259 WeakPolarHBondContact OG1-CB 3.46Å; Q217-H259 PolarHBondContact OE1-NE2 3.04Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å; T257-H259 WeakPolarHBondContact CB-NE2 3.46Å; T257-H259 PolarHBondContact O-CD2 2.9Å; T257-H259 PolarHBondContact OG1-NE2 2.83Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å
260V98.8Very high97.9Very high0 Ų061.2 Ų61.20%034%0.337CS..EExtended strand (participates in β ladder)trans-123.7123.7-177.4-174.10000109.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.92Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.06Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.33Å; L214-V260 HydrophobicContact CD1-CG1 4.15Å; L214-V260 HydrophobicContact CG-CG2 4.35Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; V260-P268 WeakPolarHBondContact O-CA 3.48Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 3.31Å; V260-L269 PolarHBondContact O-N 3.49Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å
261Q98.7Very high98Very high106 Ų10659.8 Ų59.850%0.49532%0.324SS..EExtended strand (participates in β ladder)trans-119.7131.8173.6-52.6-176.320.300109.8I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.36Å; T213-Q261 PolarHBondContact N-O 3.19Å; T213-Q261 PolarHBondContact O-N 2.62Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.7Very high98.1Very high16 Ų1663.2 Ų63.27%0.07432%0.316CS..  trans-157.5146.2-179.9-178.2-97000108.7D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.86Å; P184-H262 HydrophobicContact CG-CB 4.05Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.78Å; Y208-H262 PolarHBondContact O-CE1 3.16Å; Y208-H262 PolarHBondContact O-NE2 3.16Å; P209-H262 PolarHBondContact O-NE2 3.24Å; E211-H262 PolarHBondContact O-CD2 2.79Å; E211-H262 VanDerWaalsContact O-CD2 3.31Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.16Å; H262-G264 PolarHBondContact ND1-N 2.97Å; H262-G264 PolarHBondContact O-N 3.02Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.3Å
263E97.7Very high97.9Very high133 Ų13367.7 Ų67.762%0.62133%0.331SS*.THydrogen-bonded Turntrans-63.4-29.1-176.361.6158.7-154.900114A181 P209 L265A181-E263 HydrophobicContact CB-CG 3.94Å; A181-E263 WeakPolarHBondContact CB-OE1 3.44Å; P209-E263 VanDerWaalsContact CD-CD 3.44Å; P209-E263 WeakPolarHBondContact CD-OE1 3.23Å; P209-E263 HydrophobicContact CG-CG 3.86Å; P209-E263 VanDerWaalsContact CG-OE1 3.24Å; P209-E263 WeakPolarHBondContact CG-OE1 3.46Å; E263-L265 PolarHBondContact O-N 3.1Å
264G97.6Very high97.9Very high21 Ų2170 Ų7022%0.21634%0.342CS..THydrogen-bonded Turntrans-71.4-8.7174.500000114.2H262H262-G264 PolarHBondContact ND1-N 2.97Å; H262-G264 PolarHBondContact O-N 3.02Å
265L98.4Very high98Very high25 Ų2567.8 Ų67.813%0.13133%0.333CS..  trans-94127.5176.7-66.3170.9000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.91Å; P183-L265 HydrophobicContact CB-CG 4.43Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.48Å; P184-L265 HydrophobicContact CG-CG 4.25Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.3Å; E263-L265 PolarHBondContact O-N 3.1Å; L265-K267 WeakPolarHBondContact CB-O 3.12Å; L265-K267 PolarHBondContact O-N 2.9Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.04Å
266P97.6Very high98Very high133 Ų13366.1 Ų66.186%0.86433%0.331SS*.SBendtrans-67.2-24.7177.427.4-34.6000112.6
267K97.7Very high97.9Very high165 Ų16569.5 Ų69.572%0.71735%0.348SS*.SBendtrans-147150.2173.5-62.6-175.8-177.1178.80108.9L265L265-K267 WeakPolarHBondContact CB-O 3.12Å; L265-K267 PolarHBondContact O-N 2.9Å
268P98.1Very high97.9Very high83 Ų8373.4 Ų73.454%0.53937%0.367SS..  trans-52.5143.5171.3-27.236.1000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.48Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L98.4Very high97.8Very high60 Ų6078.3 Ų78.331%0.31439%0.391SS..EExtended strand (participates in β ladder)trans-93.8147.8174.4-61178.3000110.3T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.37Å; H259-L269 WeakPolarHBondContact CA-O 3.46Å; V260-L269 HydrophobicContact CB-CB 4.37Å; V260-L269 PolarHBondContact N-O 3.31Å; V260-L269 PolarHBondContact O-N 3.49Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.95Å; L265-L269 HydrophobicContact CD2-CD1 3.79Å; L265-L269 HydrophobicContact CD2-CG 4.04Å; L269-L271 HydrophobicContact CB-CD1 4.04Å
270T98.5Very high97.8Very high81 Ų8181.3 Ų81.350%0.49741%0.407SS..EExtended strand (participates in β ladder)trans-126.3119.3171.3-560000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.83Å; C258-T270 CarbonylContact O-C 3.54Å; C258-T270 WeakPolarHBondContact O-CA 3.14Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å
271L98.1Very high97.7Very high29 Ų2987.5 Ų87.515%0.15244%0.439CS..EExtended strand (participates in β ladder)trans-117.2147.5-177-58.1100.2000110.5V188 T257 C258 V260 L269V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.55Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.46Å; C258-L271 HydrophobicContact CB-CB 4.37Å; C258-L271 PolarHBondContact N-O 2.92Å; C258-L271 PolarHBondContact O-N 2.81Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å; L269-L271 HydrophobicContact CB-CD1 4.04Å
272R96.9Very high97.6Very high139 Ų13986 Ų8653%0.52543%0.434SS..  trans-124.5165.3165.7-66.9-170.717186.82.4108.4Q254 T257Q254-R272 PolarHBondContact O-NE 3.39Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; T257-R272 HydrophobicContact CG2-CG 3.62Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; T257-R272 VanDerWaalsContact CG2-NH2 3.29Å
273W93.5Very high97.5Very high147 Ų14792.4 Ų92.456%0.55747%0.467SS*.  trans-720166.4174.955000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.94Å; H190-W273 HydrophobicContact CB-CD2 3.85Å; H190-W273 VanDerWaalsContact CB-CE2 3.44Å; H190-W273 HydrophobicContact CB-CG 3.97Å; H190-W273 HydrophobicContact CB-CZ2 3.96Å; H190-W273 VanDerWaalsContact CB-NE1 3.33Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.77Å; H190-W273 AromaticContact ND1-CZ2 3.8Å; L200-W273 HydrophobicContact CD2-CB 3.9Å; L200-W273 HydrophobicContact CD2-CG 4.17Å; E253-W273 HydrophobicContact CB-CE3 3.63Å; E253-W273 HydrophobicContact CB-CZ3 4.13Å; E253-W273 HydrophobicContact CG-CE3 3.71Å; E253-W273 HydrophobicContact CG-CZ3 3.85Å; Q254-W273 PolarHBondContact NE2-O 2.98Å

Retrieved 273 of 273 residues in 145 ms (Link to these results)

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