A0A060S0X7_HUMAN Loading...

MHC class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A060S0X7, Species HUMAN (Homo sapiens, Human), Gene HLA-C, 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
1S94.9Very high98.4Very high103 Ų10336.5 Ų36.572%0.7220%0.202SC*.  0166.2036.60000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.37Å; S1-V102 WeakPolarHBondContact CB-O 3.14Å
2H98.3Very high98.4Very high43 Ų4334.8 Ų34.820%0.19919%0.194CC..EExtended strand (participates in β ladder)trans-139.2158178.5-65.1-76.1000110.9D28 D101 V102 L167 L171 L178H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.2Å; H2-D28 IonicContact CE1-OD2 3.8Å; H2-D28 IonicContact CG-OD2 3.81Å; H2-D28 IonicContact ND1-OD1 3.31Å; H2-D28 IonicContact ND1-OD2 3.62Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; H2-V102 HydrophobicContact CB-CG2 4.12Å; H2-V102 PolarHBondContact N-O 2.98Å; H2-V102 PolarHBondContact O-N 3.47Å; H2-L167 HydrophobicContact CB-CD1 4.37Å; H2-L171 HydrophobicContact CB-CD1 3.72Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.22Å; H2-L178 PolarHBondContact CE1-O 2.9Å
3S98.6Very high98.2Very high24 Ų2437.5 Ų37.517%0.16820%0.2CC..EExtended strand (participates in β ladder)trans-132.3149.5178.665.30000111.2V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.29Å; S3-D28 PolarHBondContact N-OD1 2.86Å; S3-D28 PolarHBondContact O-N 2.96Å; S3-D28 PolarHBondContact OG-OD1 2.89Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.14Å
4M98.8Very high97.9Very high1 Ų138.9 Ų38.91%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-124.2123.6165.3-174.6171.963.700108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.28Å; M4-Y6 HydrophobicContact CG-CE2 4.33Å; M4-Y6 HydrophobicContact SD-CE2 4.28Å; M4-Y26 WeakPolarHBondContact CA-O 3.47Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.42Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; M4-C100 PolarHBondContact N-O 3.41Å; M4-C100 PolarHBondContact O-N 2.97Å; M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-SG 3.35Å; M4-W166 HydrophobicContact CE-CB 4.13Å; M4-W166 HydrophobicContact SD-CB 4.45Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.41Å; M4-L167 HydrophobicContact SD-CB 4.43Å; M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.57Å; M4-Y170 VanDerWaalsContact SD-CE2 3.57Å
5R98.8Very high97.5Very high45 Ų4542.1 Ų42.117%0.1726%0.258CS..EExtended strand (participates in β ladder)trans-130.3139.6-177.1-57.3-62.3-179.181.14.7110.9F7 G25 Y26 Y98 D101R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; R5-Y26 PolarHBondContact N-O 3.45Å; R5-Y26 PolarHBondContact O-N 3Å; R5-Y98 WeakPolarHBondContact CA-O 3.25Å; R5-D101 IonicContact CZ-OD1 3.98Å; R5-D101 IonicContact NE-OD1 3.78Å; R5-D101 PolarHBondContact NE-OD1 3.19Å; R5-D101 VanDerWaalsContact NH2-CG 3.29Å; R5-D101 IonicContact NH2-OD1 3.93Å; R5-D101 PolarHBondContact NH2-OD1 3.39Å; R5-D101 IonicContact NH2-OD2 2.74Å; R5-D101 PolarHBondContact NH2-OD2 3.06Å
6Y98.9Very high97.3Very high6 Ų652.4 Ų52.42%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-113135.9167.8-69.4-87.8000109.2M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.28Å; M4-Y6 HydrophobicContact CG-CE2 4.33Å; M4-Y6 HydrophobicContact SD-CE2 4.28Å; Y6-Y8 HydrophobicContact CD1-CE1 4.35Å; Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 AromaticContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE1-CZ 3.94Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-V33 HydrophobicContact CE1-CG1 4.01Å; Y6-M97 WeakPolarHBondContact O-CA 3.3Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 HydrophobicContact CD2-CE1 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.69Å; Y6-Y98 HydrophobicContact CD2-CE2 3.69Å; Y6-Y98 AromaticContact CD2-CZ 3.66Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.15Å; Y6-Y98 HydrophobicContact CG-CE2 4.25Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 3.11Å; Y6-Y98 PolarHBondContact O-N 3.36Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å
7F98.9Very high97Very high84 Ų8452.6 Ų52.637%0.36831%0.307SS..EExtended strand (participates in β ladder)trans-121.7117.8178.1-56.8-93.1000108.9R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.57Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; F7-A23 WeakPolarHBondContact O-CA 3.34Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 3.08Å; F7-V24 PolarHBondContact O-N 3.07Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; F7-R96 WeakPolarHBondContact CA-O 3.36Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.18Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å
8Y98.8Very high96.9Very high8 Ų854.8 Ų54.83%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-111.6139.5178-58-17.2000109.8Y6 F21 I22 A23 Y66 Q69 Q95 R96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.35Å; Y8-F21 HydrophobicContact CD1-CZ 4.19Å; Y8-F21 HydrophobicContact CD2-CE2 4.32Å; Y8-F21 HydrophobicContact CD2-CZ 4.11Å; Y8-F21 HydrophobicContact CG-CE2 4.11Å; Y8-F21 AromaticContact CG-CZ 3.9Å; Y8-F21 HydrophobicContact CG-CZ 3.9Å; Y8-I22 WeakPolarHBondContact CA-O 3.37Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.37Å; Y8-A23 HydrophobicContact CG-CB 4.28Å; Y8-Y66 HydrophobicContact CE1-CD1 4.18Å; Y8-Y66 AromaticContact CE1-CE1 3.83Å; Y8-Y66 HydrophobicContact CE1-CE1 3.83Å; Y8-Y66 AromaticContact CZ-CE1 3.96Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.49Å; Y8-Q69 HydrophobicContact CD2-CG 3.63Å; Y8-Q69 HydrophobicContact CE2-CB 4.44Å; Y8-Q69 HydrophobicContact CE2-CG 3.73Å; Y8-Q95 CarbonylContact O-C 3.59Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.1Å; Y8-R96 HydrophobicContact CD2-CB 4.49Å; Y8-R96 PolarHBondContact N-O 2.9Å; Y8-R96 PolarHBondContact O-N 3.02Å; Y8-Y98 HydrophobicContact CD2-CE1 4.16Å; Y8-Y98 HydrophobicContact CE1-CE1 4.2Å; Y8-Y98 HydrophobicContact CE2-CD1 4.44Å; Y8-Y98 AromaticContact CE2-CE1 3.48Å; Y8-Y98 HydrophobicContact CE2-CE1 3.48Å; Y8-Y98 VanDerWaalsContact CE2-CE1 3.48Å; Y8-Y98 AromaticContact CZ-CE1 3.53Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 3.44Å
9T98.9Very high96.9Very high44 Ų4453.3 Ų53.327%0.2731%0.306SS..EExtended strand (participates in β ladder)trans-133.9123.5175.3-56.10000108.6V11 F21 I22 I93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.92Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; T9-I22 PolarHBondContact N-O 3.01Å; T9-I22 PolarHBondContact O-N 2.65Å; T9-I93 HydrophobicContact CG2-CG2 3.91Å; T9-I94 WeakPolarHBondContact CA-O 3.36Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å
10A98.8Very high97Very high1 Ų152.7 Ų52.71%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-117.8120173.400000109.7H20 F21 D73 L77 I93 I94A10-H20 CarbonylContact C-O 3.54Å; A10-H20 VanDerWaalsContact CA-O 3.31Å; A10-H20 WeakPolarHBondContact CA-O 3.31Å; A10-F21 HydrophobicContact CB-CD2 4.26Å; A10-D73 HydrophobicContact CB-CB 3.61Å; A10-L77 HydrophobicContact CB-CD1 4.11Å; A10-I93 WeakPolarHBondContact O-CA 3.36Å; A10-I94 PolarHBondContact N-O 2.95Å; A10-I94 PolarHBondContact O-N 3.16Å
11V98.6Very high97Very high42 Ų4250.3 Ų50.326%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-114.9115-176.9-175.40000109.7T9 P19 H20 I93T9-V11 HydrophobicContact CG2-CG2 3.92Å; V11-P19 CarbonylContact O-C 3.47Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; V11-H20 PolarHBondContact N-O 2.98Å; V11-H20 PolarHBondContact O-N 2.91Å; V11-I93 HydrophobicContact CG1-CG1 4.14Å; V11-I93 HydrophobicContact CG2-CD1 4.38Å; V11-I93 HydrophobicContact CG2-CG1 4.12Å; V11-I93 HydrophobicContact CG2-CG2 4.31Å
12S98.1Very high97.2Very high16 Ų1647.9 Ų47.911%0.11227%0.266CS..  trans-71.3144172.977.50000110.6S91 H92S12-S91 WeakPolarHBondContact O-CB 3.37Å; S12-S91 PolarHBondContact O-OG 3.11Å; S12-H92 PolarHBondContact N-O 3.01Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 2.93Å
13R96.4Very high97.3Very high71 Ų7145.9 Ų45.927%0.26826%0.256SS..  trans-139.473.2-178.152.5176.2178.2-162.6-10.9111.3G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.71Å; R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.44Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.85Å; R13-R16 PolarHBondContact O-N 2.81Å; R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.49Å; R13-D38 IonicContact CZ-OD1 2.7Å; R13-D38 IonicContact CZ-OD2 3.2Å; R13-D38 IonicContact NH1-OD1 3.66Å; R13-D38 IonicContact NH1-OD2 2.69Å; R13-D38 PolarHBondContact NH1-OD2 3.21Å; R13-D38 IonicContact NH2-OD1 3.49Å; R13-D38 PolarHBondContact NH2-OD1 3.11Å; R13-D38 IonicContact NH2-OD2 2.85Å; R13-D38 PolarHBondContact NH2-OD2 2.96Å
14P93.4Very high97.3Very high56 Ų5646.1 Ų46.136%0.36426%0.256SS..THydrogen-bonded Turntrans-50131.7-177-26.434.4000112.3R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.49Å; P14-E88 WeakPolarHBondContact CB-O 3.44Å; P14-E88 WeakPolarHBondContact CG-O 3.23Å; P14-G90 VanDerWaalsContact CG-O 3.22Å; P14-G90 WeakPolarHBondContact CG-O 3.31Å
15G92.7Very high97.3Very high88 Ų8846 Ų4691%0.90726%0.256SS*.THydrogen-bonded Turntrans76.6-0.2-177.100000115.8R13R13-G15 PolarHBondContact O-N 2.71Å
16R94Very high97.3Very high207 Ų20747.2 Ų47.278%0.78126%0.261SS*.SBendtrans-12424.4179.3-58.9-174.5179.6-176.50.4113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.44Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.85Å; R13-R16 PolarHBondContact O-N 2.81Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.49Å
17G92.3Very high97.3Very high56 Ų5647 Ų4758%0.57726%0.26SS*.SBendtrans95.9-159.2178.700000113.7
18E94.4Very high97.2Very high91 Ų9144.4 Ų44.443%0.42525%0.25SS..SBendtrans-73.6158.4-178.2-64.4-55.5160.800112.6R13 H20 R74R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.49Å; E18-H20 PolarHBondContact O-N 2.98Å; E18-R74 VanDerWaalsContact CD-NE 3.3Å; E18-R74 IonicContact OE1-CZ 3.4Å; E18-R74 VanDerWaalsContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.9Å; E18-R74 IonicContact OE1-NH2 2.6Å; E18-R74 PolarHBondContact OE1-NH2 2.89Å; E18-R74 WeakPolarHBondContact OE2-CD 3.48Å; E18-R74 IonicContact OE2-CZ 3.77Å; E18-R74 IonicContact OE2-NE 3.48Å; E18-R74 PolarHBondContact OE2-NE 3.42Å; E18-R74 IonicContact OE2-NH2 3.71Å; E18-R74 PolarHBondContact OE2-NH2 2.94Å; E18-R74 VanDerWaalsContact OE2-NH2 3.14Å
19P97.1Very high97.2Very high26 Ų2647.1 Ų47.117%0.16927%0.265CS..PPolyproline II helixtrans-52.1134.4174.4-26.735.5000112.2V11 R74 L77V11-P19 CarbonylContact O-C 3.47Å; V11-P19 WeakPolarHBondContact O-CA 3.31Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.16Å; P19-L77 HydrophobicContact CB-CD1 3.59Å; P19-L77 HydrophobicContact CG-CD1 3.69Å
20H98.5Very high97.2Very high41 Ų4146.5 Ų46.519%0.1926%0.261CS..EExtended strand (participates in β ladder)trans-78.2124.4175-179.5-160.5000108.8A10 V11 E18 D36 S37 D38A10-H20 CarbonylContact C-O 3.54Å; A10-H20 VanDerWaalsContact CA-O 3.31Å; A10-H20 WeakPolarHBondContact CA-O 3.31Å; V11-H20 PolarHBondContact N-O 2.98Å; V11-H20 PolarHBondContact O-N 2.91Å; E18-H20 PolarHBondContact O-N 2.98Å; H20-D36 IonicContact CD2-OD1 2.62Å; H20-D36 IonicContact CE1-OD1 3.14Å; H20-D36 IonicContact NE2-OD1 3.28Å; H20-D36 PolarHBondContact NE2-OD1 3.25Å; H20-D36 IonicContact NE2-OD2 3.62Å; H20-S37 PolarHBondContact CD2-OG 3.28Å; H20-D38 IonicContact CD2-OD1 2.78Å; H20-D38 IonicContact CD2-OD2 3.42Å; H20-D38 IonicContact CE1-OD2 3.87Å; H20-D38 IonicContact CG-OD2 3.21Å; H20-D38 IonicContact ND1-OD2 3.97Å; H20-D38 IonicContact NE2-OD2 3.6Å
21F98.8Very high97.1Very high3 Ų349.1 Ų49.11%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-113.8125.4179.5176.4-92.6000110.7Y8 T9 A10 A23 F35 S37 Y66 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.19Å; Y8-F21 HydrophobicContact CD2-CE2 4.32Å; Y8-F21 HydrophobicContact CD2-CZ 4.11Å; Y8-F21 HydrophobicContact CG-CE2 4.11Å; Y8-F21 AromaticContact CG-CZ 3.9Å; Y8-F21 HydrophobicContact CG-CZ 3.9Å; T9-F21 WeakPolarHBondContact O-CA 3.41Å; A10-F21 HydrophobicContact CB-CD2 4.26Å; F21-A23 HydrophobicContact CE1-CB 3.7Å; F21-A23 HydrophobicContact CZ-CB 3.87Å; F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CE1 4.21Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 3.21Å; F21-Y66 HydrophobicContact CE1-CD1 4.48Å; F21-Q69 HydrophobicContact CE2-CB 4.29Å; F21-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CZ-CB 3.97Å; F21-Q69 HydrophobicContact CZ-CG 3.77Å; F21-A70 HydrophobicContact CB-CB 3.73Å; F21-A70 HydrophobicContact CD1-CB 3.84Å; F21-A70 HydrophobicContact CD2-CB 4.2Å; F21-A70 HydrophobicContact CG-CB 3.65Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.12Å
22I98.8Very high97.1Very high53 Ų5347.1 Ų47.127%0.27226%0.262SS..EExtended strand (participates in β ladder)trans-121.1136.2173-63.5166.1000108.3Y8 T9 V24 F35Y8-I22 WeakPolarHBondContact CA-O 3.37Å; T9-I22 PolarHBondContact N-O 3.01Å; T9-I22 PolarHBondContact O-N 2.65Å; I22-V24 HydrophobicContact CG2-CG1 4.33Å; I22-F35 WeakPolarHBondContact CA-O 3.43Å
23A98.8Very high97.2Very high0 Ų046.4 Ų46.40%026%0.256CS..EExtended strand (participates in β ladder)trans-127.8136170.600000110.3F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.34Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.37Å; Y8-A23 HydrophobicContact CG-CB 4.28Å; F21-A23 HydrophobicContact CE1-CB 3.7Å; F21-A23 HydrophobicContact CZ-CB 3.87Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 2.96Å; A23-Y66 HydrophobicContact CB-CD1 3.63Å; A23-Y66 HydrophobicContact CB-CE1 3.69Å; A23-Y66 HydrophobicContact CB-CG 4.42Å
24V98.9Very high97.3Very high29 Ų2947.3 Ų47.318%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-131.4146.7172.3-620000110.1Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 PolarHBondContact N-O 3.08Å; F7-V24 PolarHBondContact O-N 3.07Å; I22-V24 HydrophobicContact CG2-CG1 4.33Å; V24-Y26 HydrophobicContact CB-CE2 4.15Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.83Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.3Å
25G98.8Very high97.5Very high0 Ų044.8 Ų44.80%024%0.243CC..EExtended strand (participates in β ladder)trans-124139.9176.100000110.9R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CA 2.92Å; G25-F32 WeakPolarHBondContact O-CD1 3.03Å; G25-F32 PolarHBondContact O-N 2.73Å; G25-V33 PolarHBondContact N-O 3.32Å; G25-V33 PolarHBondContact O-N 2.96Å
26Y98.9Very high97.8Very high70 Ų7041.7 Ų41.728%0.27521%0.206SC..EExtended strand (participates in β ladder)trans-125.7142.8-179.2-77.9-102.8000110.6M4 R5 F7 V24 T30 Q31M4-Y26 WeakPolarHBondContact CA-O 3.47Å; R5-Y26 PolarHBondContact N-O 3.45Å; R5-Y26 PolarHBondContact O-N 3Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.03Å; V24-Y26 HydrophobicContact CB-CE2 4.15Å; V24-Y26 HydrophobicContact CG2-CD2 4.33Å; V24-Y26 HydrophobicContact CG2-CE2 3.83Å; Y26-T30 WeakPolarHBondContact CA-O 3.39Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CD2-CB 4.5Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å
27V98.8Very high98Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-110.8118.1156.1176.90000105.8S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.29Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.33Å; V27-T30 PolarHBondContact N-O 3.27Å; V27-T30 WeakPolarHBondContact O-CB 3.39Å; V27-T30 PolarHBondContact O-N 2.91Å; V27-F32 HydrophobicContact CG2-CD1 4.03Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; V27-W50 HydrophobicContact CB-CH2 4.5Å; V27-W50 HydrophobicContact CB-CZ2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V27-Y170 HydrophobicContact CG2-CD2 3.88Å; V27-Y170 HydrophobicContact CG2-CG 4.43Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å
28D98.2Very high98.3Very high31 Ų3134.4 Ų34.417%0.16617%0.172CC..THydrogen-bonded Turntrans48.3-125.9-167.1-53.2-43.7000110.6H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.2Å; H2-D28 IonicContact CE1-OD2 3.8Å; H2-D28 IonicContact CG-OD2 3.81Å; H2-D28 IonicContact ND1-OD1 3.31Å; H2-D28 IonicContact ND1-OD2 3.62Å; H2-D28 PolarHBondContact ND1-OD2 2.81Å; S3-D28 PolarHBondContact N-OD1 2.86Å; S3-D28 PolarHBondContact O-N 2.96Å; S3-D28 PolarHBondContact OG-OD1 2.89Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 2.8Å
29D98Very high98.4Very high64 Ų6431.8 Ų31.834%0.34217%0.166SC..THydrogen-bonded Turntrans-90.711.4179.3-66.1-47.1000113.7V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.33Å; D29-Y208 HydrophobicContact CB-CD2 4.47Å; D29-Y208 HydrophobicContact CB-CE2 3.79Å; D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.04Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.3Very high98.5Very high31 Ų3136.1 Ų36.119%0.1920%0.203CC..EExtended strand (participates in β ladder)trans-107.7112.6-177-54.50000111.9Y26 V27 D28 F32 A48 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.39Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; V27-T30 PolarHBondContact N-O 3.27Å; V27-T30 WeakPolarHBondContact O-CB 3.39Å; V27-T30 PolarHBondContact O-N 2.91Å; D28-T30 VanDerWaalsContact C-N 3.31Å; D28-T30 PolarHBondContact O-N 2.8Å; T30-F32 PolarHBondContact O-N 2.66Å; T30-A48 HydrophobicContact CG2-CB 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; T30-Y208 PolarHBondContact OG1-OH 3.28Å
31Q98.4Very high98.4Very high57 Ų5738 Ų3827%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-67.3130.5172.5-166.8-179200110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 2.92Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CD2-CB 4.5Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.85Å; Q31-V33 PolarHBondContact NE2-O 3.04Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.54Å
32F98.6Very high98.3Very high0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-120.7-20.5179.375.2-90.4000114.3M4 Y6 G25 V27 T30 R47 A48 W50 V51 Y170M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact SD-CZ 4.42Å; Y6-F32 AromaticContact CE1-CZ 3.94Å; Y6-F32 HydrophobicContact CE1-CZ 3.94Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; G25-F32 WeakPolarHBondContact O-CD1 3.03Å; G25-F32 PolarHBondContact O-N 2.73Å; V27-F32 HydrophobicContact CG2-CD1 4.03Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; T30-F32 PolarHBondContact O-N 2.66Å; F32-R47 PolarHBondContact O-N 2.94Å; F32-A48 HydrophobicContact CB-CB 4.1Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 AromaticContact CD1-CH2 3.93Å; F32-W50 HydrophobicContact CD1-CH2 3.93Å; F32-W50 AromaticContact CD2-CH2 3.94Å; F32-W50 HydrophobicContact CD2-CH2 3.94Å; F32-W50 HydrophobicContact CD2-CZ3 4.25Å; F32-W50 AromaticContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CH2 3.43Å; F32-W50 VanDerWaalsContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; F32-V51 HydrophobicContact CD2-CG2 4.06Å; F32-V51 WeakPolarHBondContact O-CG1 3.15Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.47Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.6Very high98.3Very high0 Ų044 Ų440%025%0.245CC..EExtended strand (participates in β ladder)trans-142.4148.8179.664.10000111.8Y6 V24 G25 Q31 E45 W59 Y66Y6-V33 HydrophobicContact CE1-CG1 4.01Å; V24-V33 WeakPolarHBondContact CA-O 3.48Å; G25-V33 PolarHBondContact N-O 3.32Å; G25-V33 PolarHBondContact O-N 2.96Å; Q31-V33 PolarHBondContact NE2-O 3.04Å; V33-E45 WeakPolarHBondContact CA-O 3.31Å; V33-W59 HydrophobicContact CG2-CZ3 4Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.4Å; V33-Y66 HydrophobicContact CG2-CE2 4.24Å
34R98.6Very high98.2Very high90 Ų9044.2 Ų44.234%0.3425%0.248SC..EExtended strand (participates in β ladder)trans-135.9145.7168.4179.3174.8170173.8-2.7110.5A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.47Å; V24-R34 HydrophobicContact CG1-CG 4.3Å; R34-D36 IonicContact CZ-OD2 2.61Å; R34-D36 IonicContact NE-OD2 3.42Å; R34-D36 IonicContact NH2-OD2 3.66Å; R34-D36 PolarHBondContact NH2-OD2 2.82Å; R34-E45 PolarHBondContact N-O 2.98Å; R34-E45 PolarHBondContact O-N 2.73Å; R34-R47 HydrophobicContact CB-CG 4Å
35F98.8Very high98.2Very high3 Ų345.4 Ų45.41%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-132141.8162.7175.2-81.7000108.7F21 I22 A23 P42 R43 T63 Y66 K67F21-F35 AromaticContact CD1-CD1 3.71Å; F21-F35 HydrophobicContact CD1-CD1 3.71Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CD1 3.86Å; F21-F35 HydrophobicContact CE1-CE1 4.21Å; I22-F35 WeakPolarHBondContact CA-O 3.43Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 2.96Å; F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.62Å; F35-R43 VanDerWaalsContact CD2-C 3.49Å; F35-T63 HydrophobicContact CE2-CG2 4.45Å; F35-Y66 HydrophobicContact CB-CD1 4.37Å; F35-Y66 HydrophobicContact CB-CD2 3.5Å; F35-Y66 VanDerWaalsContact CB-CD2 3.5Å; F35-Y66 HydrophobicContact CB-CE2 3.99Å; F35-Y66 HydrophobicContact CB-CG 3.72Å; F35-Y66 HydrophobicContact CD1-CG 4.34Å; F35-Y66 AromaticContact CD2-CD2 3.72Å; F35-Y66 HydrophobicContact CD2-CD2 3.72Å; F35-Y66 AromaticContact CD2-CG 3.98Å; F35-Y66 HydrophobicContact CD2-CG 3.98Å; F35-Y66 AromaticContact CG-CD2 3.77Å; F35-Y66 HydrophobicContact CG-CD2 3.77Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 3.93Å
36D98.7Very high98.2Very high24 Ų2447.6 Ų47.613%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-138.2118.5179.5-167.3-33.1000109H20 R34 D38 A39 P42H20-D36 IonicContact CD2-OD1 2.62Å; H20-D36 IonicContact CE1-OD1 3.14Å; H20-D36 IonicContact NE2-OD1 3.28Å; H20-D36 PolarHBondContact NE2-OD1 3.25Å; H20-D36 IonicContact NE2-OD2 3.62Å; R34-D36 IonicContact CZ-OD2 2.61Å; R34-D36 IonicContact NE-OD2 3.42Å; R34-D36 IonicContact NH2-OD2 3.66Å; R34-D36 PolarHBondContact NH2-OD2 2.82Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 3.25Å; D36-A39 HydrophobicContact CB-CB 4.34Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.17Å; D36-P42 WeakPolarHBondContact O-CB 3.35Å
37S98.4Very high98.1Very high35 Ų3549.9 Ų49.925%0.24527%0.273CS..THydrogen-bonded Turntrans-69.5-20-177.672.10000113.6H20 F21 P42H20-S37 PolarHBondContact CD2-OG 3.28Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 3.21Å; S37-P42 WeakPolarHBondContact O-CG 3.36Å
38D97.9Very high98.1Very high75 Ų7550 Ų5040%0.40128%0.275SS..THydrogen-bonded Turntrans-90-4.8179.7-78.67.4000112.5R13 H20 D36R13-D38 IonicContact CZ-OD1 2.7Å; R13-D38 IonicContact CZ-OD2 3.2Å; R13-D38 IonicContact NH1-OD1 3.66Å; R13-D38 IonicContact NH1-OD2 2.69Å; R13-D38 PolarHBondContact NH1-OD2 3.21Å; R13-D38 IonicContact NH2-OD1 3.49Å; R13-D38 PolarHBondContact NH2-OD1 3.11Å; R13-D38 IonicContact NH2-OD2 2.85Å; R13-D38 PolarHBondContact NH2-OD2 2.96Å; H20-D38 IonicContact CD2-OD1 2.78Å; H20-D38 IonicContact CD2-OD2 3.42Å; H20-D38 IonicContact CE1-OD2 3.87Å; H20-D38 IonicContact CG-OD2 3.21Å; H20-D38 IonicContact ND1-OD2 3.97Å; H20-D38 IonicContact NE2-OD2 3.6Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 3.25Å
39A97.6Very high98Very high36 Ų3653.5 Ų53.530%0.29830%0.299SS..SBendtrans-60.3148.617200000110.9D36 S41 P42D36-A39 HydrophobicContact CB-CB 4.34Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.17Å; A39-S41 PolarHBondContact O-N 3.15Å; A39-S41 VanDerWaalsContact O-N 3.12Å; A39-P42 WeakPolarHBondContact O-CD 3.41Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.18Å
40A97.3Very high97.9Very high116 Ų11651.2 Ų51.296%0.95929%0.286SS*.SBendtrans-57.9-30.9-18000000113.3
41S96.9Very high97.9Very high81 Ų8149.8 Ų49.857%0.56628%0.277SS*.SBendtrans-136.188.4171.8-173.20000109.4A39 R43A39-S41 PolarHBondContact O-N 3.15Å; A39-S41 VanDerWaalsContact O-N 3.12Å; S41-R43 PolarHBondContact O-N 3.21Å; S41-R43 VanDerWaalsContact O-N 3.15Å
42P97.6Very high97.8Very high33 Ų3353 Ų5321%0.21429%0.292CS..  trans-63.6115.9-174.3-25.736.5000112.2F35 D36 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.46Å; F35-P42 HydrophobicContact CE2-CB 3.81Å; F35-P42 HydrophobicContact CZ-CB 3.62Å; D36-P42 WeakPolarHBondContact O-CB 3.35Å; S37-P42 WeakPolarHBondContact O-CG 3.36Å; A39-P42 WeakPolarHBondContact O-CD 3.41Å; A39-P42 VanDerWaalsContact O-CG 3.28Å; A39-P42 WeakPolarHBondContact O-CG 3.18Å; P42-K67 WeakPolarHBondContact O-CE 3.18Å; P42-K67 PolarHBondContact O-NZ 3.31Å
43R98.1Very high97.6Very high148 Ų14858.7 Ų58.756%0.55832%0.319SS*.  trans-147.3159.517862.4-175.3170.5-178.4-1.8110.9F35 S41 E45 T63F35-R43 VanDerWaalsContact CD2-C 3.49Å; S41-R43 PolarHBondContact O-N 3.21Å; S41-R43 VanDerWaalsContact O-N 3.15Å; R43-E45 HydrophobicContact CG-CG 4.1Å; R43-E45 PolarHBondContact O-N 2.7Å; R43-T63 HydrophobicContact CB-CG2 4.22Å
44G97.8Very high97.6Very high6 Ų659.3 Ų59.36%0.06232%0.321CS..  trans-66.5127.5167.100000109.2T63G44-T63 PolarHBondContact N-OG1 3.03Å
45E98.1Very high97.5Very high54 Ų5456.7 Ų56.725%0.25232%0.323SS..EExtended strand (participates in β ladder)trans-117.8133.5-177.4-64.4-180156.700110.1V33 R34 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.31Å; R34-E45 PolarHBondContact N-O 2.98Å; R34-E45 PolarHBondContact O-N 2.73Å; R43-E45 HydrophobicContact CG-CG 4.1Å; R43-E45 PolarHBondContact O-N 2.7Å; E45-R47 IonicContact OE2-CZ 2.7Å; E45-R47 IonicContact OE2-NH2 3.71Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
46P98.2Very high97.4Very high46 Ų4661.2 Ų61.230%0.29935%0.352SS..EExtended strand (participates in β ladder)trans-65.4142.5174.728.3-33.9000110.7V51 E52 W59P46-V51 HydrophobicContact CB-CG1 3.64Å; P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.72Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.35Å; P46-W59 HydrophobicContact CG-CZ2 4.28Å
47R98Very high97.3Very high117 Ų11768 Ų6844%0.44238%0.383SS..  trans-126.1-0.1174.7-60.2-63.6173.1-1700.7113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.39Å; Q31-R47 CarbonylContact O-C 3.54Å; F32-R47 PolarHBondContact O-N 2.94Å; R34-R47 HydrophobicContact CB-CG 4Å; E45-R47 IonicContact OE2-CZ 2.7Å; E45-R47 IonicContact OE2-NH2 3.71Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å
48A97.1Very high97.3Very high4 Ų466.8 Ų66.83%0.03337%0.373CS..SBendtrans-138.3142.6173.600000110.8T30 F32 W50 V51T30-A48 HydrophobicContact CG2-CB 4.48Å; F32-A48 HydrophobicContact CB-CB 4.1Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.82Å; A48-V51 VanDerWaalsContact O-CG1 3.3Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.96Å
49P96.9Very high97.3Very high104 Ų10465 Ų6568%0.67536%0.361SS*.Hα-helixtrans-58-36.7-176.2-27.134.9000114V51 E52P49-V51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 2.02Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W96.8Very high97.3Very high16 Ų1668.4 Ų68.46%0.06137%0.374CS..Hα-helixtrans-69.5-13.4-175.153.8-106.8000114.5V27 F32 A48 Q53 Y170 N173 L178V27-W50 HydrophobicContact CB-CH2 4.5Å; V27-W50 HydrophobicContact CB-CZ2 4.45Å; V27-W50 HydrophobicContact CG2-CH2 3.88Å; V27-W50 HydrophobicContact CG2-CZ2 4.32Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 AromaticContact CD1-CH2 3.93Å; F32-W50 HydrophobicContact CD1-CH2 3.93Å; F32-W50 AromaticContact CD2-CH2 3.94Å; F32-W50 HydrophobicContact CD2-CH2 3.94Å; F32-W50 HydrophobicContact CD2-CZ3 4.25Å; F32-W50 AromaticContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CH2 3.43Å; F32-W50 VanDerWaalsContact CG-CH2 3.43Å; F32-W50 HydrophobicContact CG-CZ2 4.1Å; F32-W50 HydrophobicContact CG-CZ3 4.18Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.82Å; W50-Q53 WeakPolarHBondContact O-CG 3.36Å; W50-Q53 PolarHBondContact O-NE2 2.81Å; W50-Y170 HydrophobicContact CE3-CD1 4.13Å; W50-Y170 HydrophobicContact CE3-CG 4.34Å; W50-Y170 HydrophobicContact CH2-CD1 4.4Å; W50-Y170 HydrophobicContact CH2-CD2 4.25Å; W50-Y170 AromaticContact CH2-CG 3.95Å; W50-Y170 HydrophobicContact CH2-CG 3.95Å; W50-Y170 AromaticContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD1 3.48Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD2 4.1Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.46Å; W50-Y170 HydrophobicContact CZ3-CG 3.46Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.46Å; W50-N173 HydrophobicContact CB-CB 4.44Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.47Å; W50-L178 HydrophobicContact CZ2-CD1 3.85Å; W50-L178 HydrophobicContact CZ2-CD2 4.26Å
51V97.6Very high97.4Very high0 Ų067.9 Ų67.90%035%0.347CS..Hα-helixtrans-95.6-14.6175.182.60000112.3F32 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-V51 HydrophobicContact CD2-CG2 4.06Å; F32-V51 WeakPolarHBondContact O-CG1 3.15Å; P46-V51 HydrophobicContact CB-CG1 3.64Å; A48-V51 VanDerWaalsContact O-CG1 3.3Å; A48-V51 WeakPolarHBondContact O-CG1 3.37Å; A48-V51 PolarHBondContact O-N 2.96Å; P49-V51 PolarHBondContact O-N 2.83Å; V51-Q53 PolarHBondContact O-N 2.9Å; V51-E54 HydrophobicContact CG2-CG 3.93Å; V51-E54 WeakPolarHBondContact O-CB 3.16Å; V51-E54 WeakPolarHBondContact O-CG 3.33Å; V51-E54 PolarHBondContact O-N 3.31Å; V51-Y58 HydrophobicContact CG2-CE1 4.3Å; V51-W59 HydrophobicContact CG1-CH2 3.88Å; V51-W59 HydrophobicContact CG1-CZ2 3.99Å; V51-W59 HydrophobicContact CG2-CH2 4.17Å; V51-W59 HydrophobicContact CG2-CZ2 4.18Å; V51-W59 WeakPolarHBondContact O-CZ2 3.45Å; V51-Y170 HydrophobicContact CG2-CE1 4.32Å
52E96.2Very high97.4Very high126 Ų12664.4 Ų64.459%0.58932%0.322SS*.Hα-helixtrans-64.4-25.1179.9-65.2-178.6-177.800112.7P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.77Å; P46-E52 HydrophobicContact CG-CG 4.04Å; P49-E52 WeakPolarHBondContact O-CB 3.49Å; P49-E52 PolarHBondContact O-N 2.02Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 2.98Å
53Q95.6Very high97.4Very high119 Ų11963.3 Ų63.356%0.55632%0.315SS*.THydrogen-bonded Turntrans-70.3-11.3174.870.3-173.3-35.300113.9W50 V51 N173W50-Q53 WeakPolarHBondContact O-CG 3.36Å; W50-Q53 PolarHBondContact O-NE2 2.81Å; V51-Q53 PolarHBondContact O-N 2.9Å; Q53-N173 PolarHBondContact NE2-ND2 3.17Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.2Å
54E97.3Very high97.4Very high12 Ų1261.2 Ų61.26%0.05631%0.311CS..SBendtrans-67.1133.9174.6-63.2-59.2157.100110.4V51 E52 Y58 W59 R169 N173V51-E54 HydrophobicContact CG2-CG 3.93Å; V51-E54 WeakPolarHBondContact O-CB 3.16Å; V51-E54 WeakPolarHBondContact O-CG 3.33Å; V51-E54 PolarHBondContact O-N 3.31Å; E52-E54 PolarHBondContact O-N 2.98Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.09Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 PolarHBondContact O-NE1 2.96Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; E54-R169 VanDerWaalsContact CD-NH2 3.33Å; E54-R169 IonicContact OE1-CZ 3.33Å; E54-R169 IonicContact OE1-NE 3.34Å; E54-R169 PolarHBondContact OE1-NE 3.39Å; E54-R169 IonicContact OE1-NH2 3.02Å; E54-R169 PolarHBondContact OE1-NH2 3.13Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.55Å; E54-R169 PolarHBondContact OE2-NE 2.75Å; E54-R169 IonicContact OE2-NH2 2.86Å; E54-R169 PolarHBondContact OE2-NH2 3.47Å; E54-N173 PolarHBondContact OE1-ND2 3.23Å
55G96.3Very high97.4Very high36 Ų3664.2 Ų64.237%0.37132%0.323SS..  trans-69.9170-174.100000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 2.93Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 2.89Å; G55-W59 PolarHBondContact O-N 2.8Å
56P97Very high97.4Very high98 Ų9861.7 Ų61.764%0.63631%0.311SS*.Hα-helixtrans-57.1-35.8-178.622.8-33.5000113.1Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.07Å; P56-W59 PolarHBondContact O-N 3.32Å; P56-W59 VanDerWaalsContact O-N 3.14Å; P56-D60 WeakPolarHBondContact O-CB 3.19Å; P56-D60 PolarHBondContact O-N 3.36Å
57E97.6Very high97.4Very high166 Ų16663.6 Ų63.678%0.77631%0.314SS*.Hα-helixtrans-60.2-35.2177.8-63-178.7177.800113G55 R61G55-E57 PolarHBondContact O-N 2.93Å; E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 PolarHBondContact O-N 2.86Å
58Y97.8Very high97.5Very high10 Ų1065.6 Ų65.64%0.03932%0.322CS..Hα-helixtrans-64.5-51.7174.4169.3-91.3000110V51 E54 G55 P56 D60 R61 E62 W166 Y170V51-Y58 HydrophobicContact CG2-CE1 4.3Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 4.09Å; E54-Y58 HydrophobicContact CG-CD2 4.46Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 2.89Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.07Å; Y58-D60 PolarHBondContact O-N 3.34Å; Y58-R61 PolarHBondContact O-N 3.29Å; Y58-E62 HydrophobicContact CD1-CG 4.38Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.33Å; Y58-E62 PolarHBondContact O-N 2.96Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.23Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.95Å; Y58-W166 HydrophobicContact CE2-CH2 3.95Å; Y58-W166 AromaticContact CE2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CZ3 3.78Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.25Å; Y58-Y170 PolarHBondContact OH-OH 3.39Å
59W98.2Very high97.5Very high38 Ų3866.7 Ų66.714%0.14433%0.326CS..Hα-helixtrans-64.4-39.2-177.6-67.9112.6000113.1V33 P46 V51 E54 G55 P56 T63V33-W59 HydrophobicContact CG2-CZ3 4Å; P46-W59 HydrophobicContact CB-CH2 3.72Å; P46-W59 HydrophobicContact CB-CZ2 3.81Å; P46-W59 HydrophobicContact CG-CH2 4.35Å; P46-W59 HydrophobicContact CG-CZ2 4.28Å; V51-W59 HydrophobicContact CG1-CH2 3.88Å; V51-W59 HydrophobicContact CG1-CZ2 3.99Å; V51-W59 HydrophobicContact CG2-CH2 4.17Å; V51-W59 HydrophobicContact CG2-CZ2 4.18Å; V51-W59 WeakPolarHBondContact O-CZ2 3.45Å; E54-W59 PolarHBondContact O-NE1 2.96Å; E54-W59 VanDerWaalsContact O-NE1 3.08Å; G55-W59 PolarHBondContact O-N 2.8Å; P56-W59 PolarHBondContact O-N 3.32Å; P56-W59 VanDerWaalsContact O-N 3.14Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.98Å; W59-T63 PolarHBondContact O-OG1 2.86Å
60D98.1Very high97.6Very high106 Ų10662.6 Ų62.657%0.56730%0.301SS*.Hα-helixtrans-63.9-46.9174.6-74.7-22.8000110.6P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.19Å; P56-D60 PolarHBondContact O-N 3.36Å; Y58-D60 PolarHBondContact O-N 3.34Å; D60-T63 PolarHBondContact O-N 3.23Å; D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.32Å; D60-Q64 PolarHBondContact O-N 3.33Å
61R97.4Very high97.7Very high106 Ų10666.8 Ų66.840%0.432%0.322SS..Hα-helixtrans-62.2-47.3178.7-174-175.869.5-162.4-3.7112.1E57 Y58 Q64 K65E57-R61 WeakPolarHBondContact O-CB 3.43Å; E57-R61 PolarHBondContact O-N 2.86Å; Y58-R61 PolarHBondContact O-N 3.29Å; R61-Q64 PolarHBondContact O-N 2.82Å; R61-K65 WeakPolarHBondContact O-CG 2.78Å; R61-K65 PolarHBondContact O-N 3.27Å
62E97.6Very high97.7Very high7 Ų770.3 Ų70.33%0.03334%0.343CS..Hα-helixtrans-65.6-41.7178.8-64.9-45.3116.400111.1Y58 Q64 K65 Y66Y58-E62 HydrophobicContact CD1-CG 4.38Å; Y58-E62 HydrophobicContact CD2-CG 4.22Å; Y58-E62 HydrophobicContact CE1-CG 3.98Å; Y58-E62 HydrophobicContact CE2-CG 3.8Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.33Å; Y58-E62 PolarHBondContact O-N 2.96Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.06Å; E62-K65 WeakPolarHBondContact O-CB 3.06Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.25Å; E62-K65 PolarHBondContact OE1-NZ 2.87Å; E62-K65 IonicContact OE2-NZ 2.79Å; E62-K65 PolarHBondContact OE2-NZ 3.22Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.45Å; E62-Y66 PolarHBondContact O-N 3.06Å
63T98.5Very high97.8Very high11 Ų1164.4 Ų64.47%0.06732%0.316CS..Hα-helixtrans-56.8-45.2174-64.20000112F35 R43 G44 W59 D60 K65 Y66 K67F35-T63 HydrophobicContact CE2-CG2 4.45Å; R43-T63 HydrophobicContact CB-CG2 4.22Å; G44-T63 PolarHBondContact N-OG1 3.03Å; W59-T63 WeakPolarHBondContact O-CB 3.34Å; W59-T63 PolarHBondContact O-N 2.98Å; W59-T63 PolarHBondContact O-OG1 2.86Å; D60-T63 PolarHBondContact O-N 3.23Å; T63-K65 VanDerWaalsContact C-N 3.35Å; T63-Y66 PolarHBondContact O-N 3.02Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.22Å; T63-K67 PolarHBondContact O-N 3.47Å
64Q98.3Very high97.9Very high103 Ų10361.6 Ų61.648%0.48130%0.3SS..Hα-helixtrans-68.2-33177.7-67.2-58.5-27.100112.6D60 R61 E62 R68D60-Q64 VanDerWaalsContact O-CG 3.29Å; D60-Q64 WeakPolarHBondContact O-CG 3.32Å; D60-Q64 PolarHBondContact O-N 3.33Å; R61-Q64 PolarHBondContact O-N 2.82Å; E62-Q64 VanDerWaalsContact C-N 3.32Å; E62-Q64 PolarHBondContact O-N 3.06Å; Q64-R68 WeakPolarHBondContact O-CB 3.35Å; Q64-R68 WeakPolarHBondContact O-CG 3.46Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 PolarHBondContact O-NE 3.5Å
65K97.4Very high97.9Very high70 Ų7064.5 Ų64.530%0.30432%0.319SS..Hα-helixtrans-62.8-48.7171.8-73.5173.1179.9172.90111.2R61 E62 T63 K67 R68 Q69R61-K65 WeakPolarHBondContact O-CG 2.78Å; R61-K65 PolarHBondContact O-N 3.27Å; E62-K65 WeakPolarHBondContact O-CB 3.06Å; E62-K65 PolarHBondContact O-N 2.81Å; E62-K65 VanDerWaalsContact O-N 3.1Å; E62-K65 IonicContact OE1-NZ 3.25Å; E62-K65 PolarHBondContact OE1-NZ 2.87Å; E62-K65 IonicContact OE2-NZ 2.79Å; E62-K65 PolarHBondContact OE2-NZ 3.22Å; T63-K65 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.15Å; K65-R68 PolarHBondContact O-N 2.98Å; K65-Q69 PolarHBondContact O-N 3.46Å
66Y98.5Very high98Very high0 Ų064.5 Ų64.50%031%0.313CS..Hα-helixtrans-61.7-42.8178.3-62-48.5000112.4Y8 F21 A23 V33 F35 E62 T63 R68 Q69 A70Y8-Y66 HydrophobicContact CE1-CD1 4.18Å; Y8-Y66 AromaticContact CE1-CE1 3.83Å; Y8-Y66 HydrophobicContact CE1-CE1 3.83Å; Y8-Y66 AromaticContact CZ-CE1 3.96Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.49Å; F21-Y66 HydrophobicContact CE1-CD1 4.48Å; A23-Y66 HydrophobicContact CB-CD1 3.63Å; A23-Y66 HydrophobicContact CB-CE1 3.69Å; A23-Y66 HydrophobicContact CB-CG 4.42Å; V33-Y66 WeakPolarHBondContact CG1-OH 3.4Å; V33-Y66 HydrophobicContact CG2-CE2 4.24Å; F35-Y66 HydrophobicContact CB-CD1 4.37Å; F35-Y66 HydrophobicContact CB-CD2 3.5Å; F35-Y66 VanDerWaalsContact CB-CD2 3.5Å; F35-Y66 HydrophobicContact CB-CE2 3.99Å; F35-Y66 HydrophobicContact CB-CG 3.72Å; F35-Y66 HydrophobicContact CD1-CG 4.34Å; F35-Y66 AromaticContact CD2-CD2 3.72Å; F35-Y66 HydrophobicContact CD2-CD2 3.72Å; F35-Y66 AromaticContact CD2-CG 3.98Å; F35-Y66 HydrophobicContact CD2-CG 3.98Å; F35-Y66 AromaticContact CG-CD2 3.77Å; F35-Y66 HydrophobicContact CG-CD2 3.77Å; F35-Y66 AromaticContact CG-CG 3.77Å; F35-Y66 HydrophobicContact CG-CG 3.77Å; E62-Y66 HydrophobicContact CB-CE2 4.03Å; E62-Y66 WeakPolarHBondContact O-CD2 3.45Å; E62-Y66 PolarHBondContact O-N 3.06Å; T63-Y66 PolarHBondContact O-N 3.02Å; Y66-R68 VanDerWaalsContact C-N 3.35Å; Y66-R68 PolarHBondContact O-N 3.18Å; Y66-Q69 PolarHBondContact O-N 3.21Å; Y66-A70 PolarHBondContact O-N 3.04Å
67K98.4Very high98Very high86 Ų8660.3 Ų60.337%0.37429%0.285SS..Hα-helixtrans-61.7-40.6176-74179.8178.9177.60112.6F35 P42 T63 K65 Q71F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 3.93Å; P42-K67 WeakPolarHBondContact O-CE 3.18Å; P42-K67 PolarHBondContact O-NZ 3.31Å; T63-K67 HydrophobicContact CG2-CD 4.19Å; T63-K67 WeakPolarHBondContact O-CG 3.22Å; T63-K67 PolarHBondContact O-N 3.47Å; K65-K67 PolarHBondContact O-N 3.15Å; K67-Q71 PolarHBondContact O-N 2.94Å
68R98.3Very high98Very high160 Ų16058.3 Ų58.360%0.60427%0.27SS*.Hα-helixtrans-65.2-44.7174.3-75.8-174.7-67175.40.5111.5Q64 K65 Y66 A70 Q71 T72Q64-R68 WeakPolarHBondContact O-CB 3.35Å; Q64-R68 WeakPolarHBondContact O-CG 3.46Å; Q64-R68 PolarHBondContact O-N 2.89Å; Q64-R68 PolarHBondContact O-NE 3.5Å; K65-R68 PolarHBondContact O-N 2.98Å; Y66-R68 VanDerWaalsContact C-N 3.35Å; Y66-R68 PolarHBondContact O-N 3.18Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 3.14Å; R68-Q71 PolarHBondContact O-N 2.64Å; R68-T72 PolarHBondContact O-N 2.84Å; R68-T72 PolarHBondContact O-OG1 2.87Å
69Q98.3Very high98Very high26 Ų2661.2 Ų61.212%0.12129%0.286CS..Hα-helixtrans-61-42.7177.6-172.665.254.500111.9Y8 F21 K65 Y66 Q71 T72 D73 R96Y8-Q69 HydrophobicContact CD2-CG 3.63Å; Y8-Q69 HydrophobicContact CE2-CB 4.44Å; Y8-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CE2-CB 4.29Å; F21-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CZ-CB 3.97Å; F21-Q69 HydrophobicContact CZ-CG 3.77Å; K65-Q69 PolarHBondContact O-N 3.46Å; Y66-Q69 PolarHBondContact O-N 3.21Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.37Å; Q69-T72 WeakPolarHBondContact O-CB 3.42Å; Q69-T72 PolarHBondContact O-N 2.63Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 2.74Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.07Å
70A98.4Very high98Very high18 Ų1859.8 Ų59.815%0.14928%0.281CS..Hα-helixtrans-57.9-38.8176.400000112.5F21 Y66 R68 R74F21-A70 HydrophobicContact CB-CB 3.73Å; F21-A70 HydrophobicContact CD1-CB 3.84Å; F21-A70 HydrophobicContact CD2-CB 4.2Å; F21-A70 HydrophobicContact CG-CB 3.65Å; Y66-A70 PolarHBondContact O-N 3.04Å; R68-A70 VanDerWaalsContact C-N 3.34Å; R68-A70 PolarHBondContact O-N 3.14Å; A70-R74 WeakPolarHBondContact O-CB 3.38Å; A70-R74 PolarHBondContact O-N 3.17Å
71Q98.1Very high97.9Very high105 Ų10557.7 Ų57.749%0.49127%0.266SS..Hα-helixtrans-70.3-39.8174-64.7-54.7-44.400112.3K67 R68 Q69 R74 V75K67-Q71 PolarHBondContact O-N 2.94Å; R68-Q71 PolarHBondContact O-N 2.64Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.34Å; Q71-R74 WeakPolarHBondContact O-CB 3.48Å; Q71-R74 PolarHBondContact O-N 3.05Å; Q71-V75 WeakPolarHBondContact O-CG2 3.46Å; Q71-V75 PolarHBondContact O-N 2.82Å; Q71-V75 VanDerWaalsContact O-N 3.17Å
72T98Very high97.9Very high73 Ų7354.8 Ų54.845%0.44827%0.268SS..Hα-helixtrans-59.5-48.4173.8-64.90000110.9R68 Q69 R74 V75 S76R68-T72 PolarHBondContact O-N 2.84Å; R68-T72 PolarHBondContact O-OG1 2.87Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.37Å; Q69-T72 WeakPolarHBondContact O-CB 3.42Å; Q69-T72 PolarHBondContact O-N 2.63Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.5Å; T72-V75 WeakPolarHBondContact O-CB 3.25Å; T72-V75 PolarHBondContact O-N 2.89Å; T72-S76 PolarHBondContact O-N 3.27Å; T72-S76 PolarHBondContact O-OG 3.34Å; T72-S76 VanDerWaalsContact O-OG 3.1Å
73D98Very high98Very high2 Ų257.1 Ų57.11%0.01128%0.277CS..Hα-helixtrans-67.5-33-178-69.5-12000112.2A10 F21 Q69 V75 S76 L77A10-D73 HydrophobicContact CB-CB 3.61Å; F21-D73 VanDerWaalsContact CE2-OD2 3.24Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.12Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 2.74Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.3Å; D73-S76 PolarHBondContact O-N 3.29Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 2.79Å
74R97.8Very high97.9Very high61 Ų6159.8 Ų59.823%0.2329%0.287CS..Hα-helixtrans-58.8-43.5169.8177.1-171.6-178.4-162.12.4112.1E18 P19 A70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NE 3.3Å; E18-R74 IonicContact OE1-CZ 3.4Å; E18-R74 VanDerWaalsContact OE1-CZ 3.28Å; E18-R74 IonicContact OE1-NE 3.9Å; E18-R74 IonicContact OE1-NH2 2.6Å; E18-R74 PolarHBondContact OE1-NH2 2.89Å; E18-R74 WeakPolarHBondContact OE2-CD 3.48Å; E18-R74 IonicContact OE2-CZ 3.77Å; E18-R74 IonicContact OE2-NE 3.48Å; E18-R74 PolarHBondContact OE2-NE 3.42Å; E18-R74 IonicContact OE2-NH2 3.71Å; E18-R74 PolarHBondContact OE2-NH2 2.94Å; E18-R74 VanDerWaalsContact OE2-NH2 3.14Å; P19-R74 HydrophobicContact CG-CB 4.32Å; P19-R74 HydrophobicContact CG-CG 4.16Å; A70-R74 WeakPolarHBondContact O-CB 3.38Å; A70-R74 PolarHBondContact O-N 3.17Å; Q71-R74 WeakPolarHBondContact O-CB 3.48Å; Q71-R74 PolarHBondContact O-N 3.05Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 3.5Å; R74-R78 VanDerWaalsContact NE-NH2 3.12Å; R74-R78 PolarHBondContact O-N 2.99Å
75V97.8Very high97.9Very high73 Ų7362.2 Ų62.244%0.44230%0.303SS..Hα-helixtrans-69.7-421761750000110.5Q71 T72 D73 L77 R78 N79Q71-V75 WeakPolarHBondContact O-CG2 3.46Å; Q71-V75 PolarHBondContact O-N 2.82Å; Q71-V75 VanDerWaalsContact O-N 3.17Å; T72-V75 WeakPolarHBondContact O-CB 3.25Å; T72-V75 PolarHBondContact O-N 2.89Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.3Å; V75-L77 PolarHBondContact O-N 3.48Å; V75-R78 PolarHBondContact O-N 3.16Å; V75-N79 PolarHBondContact O-N 2.82Å
76S98Very high97.9Very high36 Ų3661.6 Ų61.625%0.25230%0.301SS..Hα-helixtrans-58.8-44176.5-61.60000112T72 D73 R78 N79 L80 I94T72-S76 PolarHBondContact O-N 3.27Å; T72-S76 PolarHBondContact O-OG 3.34Å; T72-S76 VanDerWaalsContact O-OG 3.1Å; D73-S76 PolarHBondContact O-N 3.29Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.7Å; S76-N79 PolarHBondContact O-N 2.7Å; S76-N79 VanDerWaalsContact O-N 3.1Å; S76-L80 WeakPolarHBondContact O-CB 3.44Å; S76-L80 VanDerWaalsContact O-CG 3.31Å; S76-L80 WeakPolarHBondContact O-CG 3.18Å; S76-L80 PolarHBondContact O-N 2.91Å; S76-I94 VanDerWaalsContact CB-CD1 3.48Å
77L98.3Very high97.8Very high9 Ų965.5 Ų65.55%0.04733%0.328CS..Hα-helixtrans-57.8-40.3176.7-80.9163000111.9A10 P19 D73 V75 R81 H92 I94 Y117A10-L77 HydrophobicContact CB-CD1 4.11Å; P19-L77 HydrophobicContact CB-CD1 3.59Å; P19-L77 HydrophobicContact CG-CD1 3.69Å; D73-L77 WeakPolarHBondContact O-CB 3.39Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 2.79Å; V75-L77 PolarHBondContact O-N 3.48Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.78Å; L77-R81 VanDerWaalsContact O-N 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; L77-I94 HydrophobicContact CB-CD1 4.34Å; L77-I94 HydrophobicContact CD2-CD1 3.93Å; L77-I94 HydrophobicContact CD2-CG1 3.71Å; L77-I94 HydrophobicContact CG-CD1 3.66Å; L77-I94 HydrophobicContact CG-CG1 3.99Å; L77-Y117 HydrophobicContact CD2-CE2 4.25Å
78R97Very high97.5Very high125 Ų12567.7 Ų67.747%0.47234%0.34SS..Hα-helixtrans-67.5-41.9175.8-66.7176.7-173.1168.51.1112.1R74 V75 S76 G82R74-R78 VanDerWaalsContact NE-NH2 3.12Å; R74-R78 PolarHBondContact O-N 2.99Å; V75-R78 PolarHBondContact O-N 3.16Å; S76-R78 VanDerWaalsContact C-N 3.28Å; S76-R78 PolarHBondContact O-N 2.7Å; R78-G82 PolarHBondContact O-N 2.92Å
79N97.6Very high97.3Very high70 Ų7064 Ų6437%0.37434%0.344SS..Hα-helixtrans-65.2-47.8178.7-70.6-22.7000111.6V75 S76 R81 G82 Y83V75-N79 PolarHBondContact O-N 2.82Å; S76-N79 PolarHBondContact O-N 2.7Å; S76-N79 VanDerWaalsContact O-N 3.1Å; N79-R81 PolarHBondContact O-N 3.37Å; N79-G82 CarbonylContact O-C 3.48Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 3.33Å; N79-Y83 HydrophobicContact CB-CE2 4.42Å; N79-Y83 WeakPolarHBondContact O-CD1 3.35Å; N79-Y83 PolarHBondContact O-N 2.75Å
80L98.2Very high97.1Very high8 Ų864 Ų644%0.04235%0.351CS..Hα-helixtrans-61.3-45.4-180-69.6175000111.3S76 G82 Y83 Y84 I94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.44Å; S76-L80 VanDerWaalsContact O-CG 3.31Å; S76-L80 WeakPolarHBondContact O-CG 3.18Å; S76-L80 PolarHBondContact O-N 2.91Å; L80-G82 PolarHBondContact O-N 2.83Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 2.83Å; L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.03Å; L80-Y84 PolarHBondContact O-N 2.85Å; L80-I94 HydrophobicContact CD1-CD1 3.33Å; L80-I94 HydrophobicContact CD1-CG1 3.48Å; L80-I94 VanDerWaalsContact CD1-CG1 3.48Å; L80-I94 HydrophobicContact CG-CD1 4.45Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.11Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.35Å; L80-Y117 HydrophobicContact CD1-CE2 3.73Å; L80-Y117 HydrophobicContact CD1-CG 3.8Å; L80-Y117 HydrophobicContact CG-CD2 4.32Å; L80-Y117 HydrophobicContact CG-CE2 4.39Å; L80-Y122 HydrophobicContact CD2-CD1 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.11Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.39Å; L80-Y122 VanDerWaalsContact CD2-OH 3.3Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.14Å
81R97.1Very high97.1Very high63 Ų6366.7 Ų66.724%0.23837%0.368CS..Hα-helixtrans-52.7-41.9172.8-173.8-173.465.7-179.810.4111.9L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.78Å; L77-R81 VanDerWaalsContact O-N 3.12Å; N79-R81 PolarHBondContact O-N 3.37Å; R81-N85 PolarHBondContact O-N 3.42Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 2.82Å; R81-E88 IonicContact CZ-OE1 3.32Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 IonicContact NH1-OE1 2.74Å; R81-E88 PolarHBondContact NH1-OE1 2.97Å; R81-E88 IonicContact NH2-OE1 3.32Å; R81-E88 PolarHBondContact NH2-OE1 3.21Å
82G97.4Very high97.1Very high44 Ų4462.6 Ų62.645%0.45435%0.349SS..Hα-helixtrans-65.4-44.9174.300000113.3R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 2.92Å; N79-G82 CarbonylContact O-C 3.48Å; N79-G82 WeakPolarHBondContact O-CA 3.44Å; N79-G82 PolarHBondContact O-N 3.33Å; L80-G82 PolarHBondContact O-N 2.83Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.06Å; G82-N85 PolarHBondContact O-N 2.86Å
83Y98Very high97.1Very high56 Ų5661.9 Ų61.922%0.2234%0.342CS..Hα-helixtrans-63.1-34.3179.8-61.1-14.2000112.8N79 L80 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.42Å; N79-Y83 WeakPolarHBondContact O-CD1 3.35Å; N79-Y83 PolarHBondContact O-N 2.75Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 2.83Å; Y83-I141 HydrophobicContact CD1-CD1 4.06Å; Y83-I141 HydrophobicContact CD2-CD1 4.47Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.25Å; Y83-I141 HydrophobicContact CE2-CG2 4.06Å; Y83-I141 HydrophobicContact CG-CD1 4.13Å; Y83-K145 PolarHBondContact OH-NZ 3.35Å
84Y98.1Very high97.2Very high68 Ų6862 Ų6227%0.26734%0.343SS..THydrogen-bonded Turntrans-93.85.4178.5-68.7-71.8000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.25Å; L80-Y84 WeakPolarHBondContact O-CD2 3.03Å; L80-Y84 PolarHBondContact O-N 2.85Å; G82-Y84 VanDerWaalsContact C-N 3.27Å; G82-Y84 PolarHBondContact O-N 3.06Å; Y84-Q86 PolarHBondContact O-N 2.79Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.44Å; Y84-D136 PolarHBondContact OH-OD2 3.39Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N97.2Very high97.2Very high153 Ų15363 Ų6382%0.81835%0.35SS*.THydrogen-bonded Turntrans51.639.2-177.4-57.2-59.8000113.4R81 G82R81-N85 PolarHBondContact O-N 3.42Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.86Å
86Q97.6Very high97.2Very high58 Ų5861 Ų6127%0.27133%0.334SS..  trans-87.6152.9-176.1-71.6169.1-32.900112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 2.82Å; Y84-Q86 PolarHBondContact O-N 2.79Å; Q86-H92 PolarHBondContact NE2-CE1 2.81Å; Q86-H92 PolarHBondContact OE1-CE1 3.35Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.27Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; Q86-D118 PolarHBondContact NE2-OD2 3.49Å
87S95.8Very high97.3Very high81 Ų8160.4 Ų60.457%0.56633%0.328SS*.  trans-68.8149.8178.7175.80000112.6A89 G90S87-A89 PolarHBondContact O-N 2.94Å; S87-A89 PolarHBondContact OG-N 2.86Å; S87-G90 PolarHBondContact O-N 3.43Å
88E93.3Very high97.3Very high133 Ų13361 Ų6162%0.62133%0.33SS*.THydrogen-bonded Turntrans-69-18.7174-53.8-152.4127.800114P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.44Å; P14-E88 WeakPolarHBondContact CG-O 3.23Å; R81-E88 IonicContact CZ-OE1 3.32Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 IonicContact NH1-OE1 2.74Å; R81-E88 PolarHBondContact NH1-OE1 2.97Å; R81-E88 IonicContact NH2-OE1 3.32Å; R81-E88 PolarHBondContact NH2-OE1 3.21Å; E88-G90 VanDerWaalsContact C-N 3.3Å
89A93.7Very high97.4Very high83 Ų8355.1 Ų55.169%0.68631%0.307SS*.THydrogen-bonded Turntrans-78.6-15.4-179.600000113.2S87S87-A89 PolarHBondContact O-N 2.94Å; S87-A89 PolarHBondContact OG-N 2.86Å
90G94.4Very high97.5Very high26 Ų2651.8 Ų51.827%0.26829%0.289SS..  trans-76.5136.8-178.800000112.9P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.22Å; P14-G90 WeakPolarHBondContact CG-O 3.31Å; S87-G90 PolarHBondContact O-N 3.43Å; E88-G90 VanDerWaalsContact C-N 3.3Å; G90-H92 PolarHBondContact O-CD2 3.38Å; G90-H92 VanDerWaalsContact O-CD2 3.28Å
91S97.6Very high97.5Very high73 Ų7352.9 Ų52.951%0.5130%0.295SS..  trans-82.7135.11641790000108.7S12S12-S91 WeakPolarHBondContact O-CB 3.37Å; S12-S91 PolarHBondContact O-OG 3.11Å
92H98.4Very high97.5Very high19 Ų1949.9 Ų49.99%0.08828%0.284CS..  trans-135.6153.3-175-64.9-72.4000110.2S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 3.01Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 2.93Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; Q86-H92 PolarHBondContact NE2-CE1 2.81Å; Q86-H92 PolarHBondContact OE1-CE1 3.35Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.27Å; G90-H92 PolarHBondContact O-CD2 3.38Å; G90-H92 VanDerWaalsContact O-CD2 3.28Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.42Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.91Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.29Å; H92-D118 WeakPolarHBondContact CB-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.31Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.08Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 PolarHBondContact ND1-OD1 3.36Å; H92-D118 IonicContact ND1-OD2 3.37Å; H92-D118 PolarHBondContact ND1-OD2 2.04Å
93I98.6Very high97.6Very high59 Ų5948 Ų4830%0.30327%0.265SS..EExtended strand (participates in β ladder)trans-125.2131.5-175.6-54.4-179.3000109.7T9 A10 V11 Q95 Y117 D118T9-I93 HydrophobicContact CG2-CG2 3.91Å; A10-I93 WeakPolarHBondContact O-CA 3.36Å; V11-I93 HydrophobicContact CG1-CG1 4.14Å; V11-I93 HydrophobicContact CG2-CD1 4.38Å; V11-I93 HydrophobicContact CG2-CG1 4.12Å; V11-I93 HydrophobicContact CG2-CG2 4.31Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; I93-Y117 WeakPolarHBondContact O-CA 3.47Å; I93-Y117 VanDerWaalsContact O-CD2 3.25Å; I93-Y117 WeakPolarHBondContact O-CD2 3.49Å; I93-D118 PolarHBondContact N-OD1 3.18Å; I93-D118 PolarHBondContact O-N 2.86Å
94I98.6Very high97.4Very high5 Ų551.5 Ų51.53%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-107.8134.9161-63.6173.1000108.2T9 A10 S76 L77 L80 Y115 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.36Å; A10-I94 PolarHBondContact N-O 2.95Å; A10-I94 PolarHBondContact O-N 3.16Å; S76-I94 VanDerWaalsContact CB-CD1 3.48Å; L77-I94 HydrophobicContact CB-CD1 4.34Å; L77-I94 HydrophobicContact CD2-CD1 3.93Å; L77-I94 HydrophobicContact CD2-CG1 3.71Å; L77-I94 HydrophobicContact CG-CD1 3.66Å; L77-I94 HydrophobicContact CG-CG1 3.99Å; L80-I94 HydrophobicContact CD1-CD1 3.33Å; L80-I94 HydrophobicContact CD1-CG1 3.48Å; L80-I94 VanDerWaalsContact CD1-CG1 3.48Å; L80-I94 HydrophobicContact CG-CD1 4.45Å; I94-Y115 HydrophobicContact CG2-CD1 4.02Å; I94-A116 WeakPolarHBondContact CA-O 2.96Å; I94-Y117 HydrophobicContact CG1-CD2 3.82Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å
95Q98.8Very high97.3Very high81 Ų8152.7 Ų52.738%0.37931%0.305SS..EExtended strand (participates in β ladder)trans-119.8143.2170-62.8171.1-91.600109.4Y8 T9 I93 Y115 A116Y8-Q95 CarbonylContact O-C 3.59Å; Y8-Q95 VanDerWaalsContact O-CA 3.25Å; Y8-Q95 WeakPolarHBondContact O-CA 3.1Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å; I93-Q95 HydrophobicContact CG2-CG 3.91Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.33Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 3.32Å
96R98.7Very high97.2Very high30 Ų3046 Ų4611%0.11327%0.272CS..EExtended strand (participates in β ladder)trans-129.6133.7171.5-175.3-167.3-174.6172.23109.2F7 Y8 Q69 Y98 D113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.36Å; Y8-R96 HydrophobicContact CD2-CB 4.49Å; Y8-R96 PolarHBondContact N-O 2.9Å; Y8-R96 PolarHBondContact O-N 3.02Å; Q69-R96 VanDerWaalsContact OE1-NH1 3.07Å; R96-Y98 HydrophobicContact CG-CD1 4.24Å; R96-D113 IonicContact CZ-OD1 3.9Å; R96-D113 IonicContact NE-OD1 3.56Å; R96-D113 PolarHBondContact NE-OD1 2.82Å; R96-D113 IonicContact NH2-OD1 3.57Å; R96-D113 PolarHBondContact NH2-OD1 3.03Å; R96-D113 IonicContact NH2-OD2 3.95Å; R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 WeakPolarHBondContact CA-O 3.39Å; R96-Y115 HydrophobicContact CB-CD1 3.84Å; R96-Y115 HydrophobicContact CB-CE1 3.71Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.07Å; R96-Y115 HydrophobicContact CG-CD1 4.03Å; R96-Y115 HydrophobicContact CG-CD2 4.11Å; R96-Y115 HydrophobicContact CG-CE1 3.67Å; R96-Y115 HydrophobicContact CG-CE2 3.72Å; R96-Y115 HydrophobicContact CG-CG 4.26Å; R96-Y115 PolarHBondContact NE-OH 3.31Å; R96-Y115 VanDerWaalsContact NE-OH 3.1Å; R96-Y115 PolarHBondContact NH1-OH 3.08Å
97M98.8Very high97.2Very high24 Ų2451.3 Ų51.312%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-121.3130165.4-177-78.3-72.900108.7Y6 F7 Y112 D113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.3Å; F7-M97 HydrophobicContact CD1-CB 4.02Å; F7-M97 HydrophobicContact CD1-CG 3.68Å; F7-M97 HydrophobicContact CE1-CB 4.18Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å; M97-Y112 HydrophobicContact CE-CD1 4.13Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.43Å; M97-Q114 HydrophobicContact CE-CG 3.85Å; M97-Q114 PolarHBondContact N-O 3.32Å; M97-Q114 PolarHBondContact O-N 3.13Å
98Y98.8Very high97.3Very high23 Ų2349.9 Ų49.99%0.0928%0.275CS..EExtended strand (participates in β ladder)trans-146.8157.4172.874.1-84.6000110.9R5 Y6 Y8 R96 Y112 D113 Y158R5-Y98 WeakPolarHBondContact CA-O 3.25Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.44Å; Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 HydrophobicContact CD2-CE1 4.41Å; Y6-Y98 AromaticContact CD2-CE2 3.69Å; Y6-Y98 HydrophobicContact CD2-CE2 3.69Å; Y6-Y98 AromaticContact CD2-CZ 3.66Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.15Å; Y6-Y98 HydrophobicContact CG-CE2 4.25Å; Y6-Y98 AromaticContact CG-CZ 3.75Å; Y6-Y98 PolarHBondContact N-O 3.11Å; Y6-Y98 PolarHBondContact O-N 3.36Å; Y6-Y98 VanDerWaalsContact O-N 3.14Å; Y8-Y98 HydrophobicContact CD2-CE1 4.16Å; Y8-Y98 HydrophobicContact CE1-CE1 4.2Å; Y8-Y98 HydrophobicContact CE2-CD1 4.44Å; Y8-Y98 AromaticContact CE2-CE1 3.48Å; Y8-Y98 HydrophobicContact CE2-CE1 3.48Å; Y8-Y98 VanDerWaalsContact CE2-CE1 3.48Å; Y8-Y98 AromaticContact CZ-CE1 3.53Å; Y8-Y98 AromaticContact CZ-CZ 3.98Å; Y8-Y98 PolarHBondContact OH-OH 3.44Å; R96-Y98 HydrophobicContact CG-CD1 4.24Å; Y98-Y112 CarbonylContact C-O 3.52Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.24Å; Y98-Y112 WeakPolarHBondContact CB-O 3.26Å; Y98-D113 VanDerWaalsContact CB-OD1 3.28Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.38Å; Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.62Å; Y98-Y158 HydrophobicContact CE2-CE1 3.62Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.7Very high97.5Very high0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans158.3-172.6-177.100000114M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.5Å; G99-G111 CarbonylContact O-C 3.45Å; G99-G111 WeakPolarHBondContact O-CA 3.31Å; G99-Y112 PolarHBondContact N-O 3.16Å; G99-Y112 PolarHBondContact O-N 3.27Å; G99-L159 WeakPolarHBondContact O-CD2 3.49Å
100C98.8Very high97.7Very high0 Ų049.9 Ų49.90%026%0.26CS..EExtended strand (participates in β ladder)trans-137.1146.3-17452.20000111.4S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 3.41Å; M4-C100 PolarHBondContact O-N 2.97Å; C100-L108 HydrophobicContact CB-CD1 3.61Å; C100-R110 WeakPolarHBondContact CA-O 3.46Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.93Å; C100-V164 HydrophobicContact CB-CG2 4.42Å
101D98.7Very high97.9Very high31 Ų3148.9 Ų48.917%0.16625%0.249CC..EExtended strand (participates in β ladder)trans-110.7138.1171.9-63.4-4000109.1H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; S3-D101 WeakPolarHBondContact CB-OD1 3.14Å; R5-D101 IonicContact CZ-OD1 3.98Å; R5-D101 IonicContact NE-OD1 3.78Å; R5-D101 PolarHBondContact NE-OD1 3.19Å; R5-D101 VanDerWaalsContact NH2-CG 3.29Å; R5-D101 IonicContact NH2-OD1 3.93Å; R5-D101 PolarHBondContact NH2-OD1 3.39Å; R5-D101 IonicContact NH2-OD2 2.74Å; R5-D101 PolarHBondContact NH2-OD2 3.06Å; D101-L109 PolarHBondContact O-N 2.87Å; D101-R110 PolarHBondContact N-O 3.32Å; D101-R110 PolarHBondContact O-N 3.11Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 PolarHBondContact OD2-OH 3.14Å
102V98.6Very high98Very high1 Ų147.1 Ų47.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-125.4145.1180-600000112.3S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.37Å; S1-V102 WeakPolarHBondContact CB-O 3.14Å; H2-V102 HydrophobicContact CB-CG2 4.12Å; H2-V102 PolarHBondContact N-O 2.98Å; H2-V102 PolarHBondContact O-N 3.47Å; V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.46Å; V102-R107 WeakPolarHBondContact CB-O 3.35Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 4.02Å; V102-V164 HydrophobicContact CG1-CG2 3.95Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.22Å
103G97.5Very high98Very high4 Ų446.3 Ų46.34%0.04123%0.228CC..  trans-73.1175.2173.300000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 3.41Å; G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 2.88Å; G103-R107 PolarHBondContact N-O 3.33Å
104P95.4Very high98Very high130 Ų13047 Ų4784%0.84423%0.23SC*.THydrogen-bonded Turntrans-59-26.9173.5-23.434.3000113.8G106P104-G106 PolarHBondContact O-N 3.47Å
105D95.6Very high98Very high93 Ų9348.1 Ų48.150%0.49723%0.234SC..THydrogen-bonded Turntrans-78.51173.270.1-11.8000113.1G103 R107G103-D105 PolarHBondContact O-N 3.41Å; D105-R107 PolarHBondContact O-N 3.21Å; D105-R107 WeakPolarHBondContact OD1-CB 3.2Å; D105-R107 PolarHBondContact OD1-N 3.05Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 WeakPolarHBondContact OD2-CG 3.41Å; D105-R107 IonicContact OD2-CZ 3.68Å; D105-R107 IonicContact OD2-NE 2.71Å; D105-R107 IonicContact OD2-NH1 3.53Å; D105-R107 PolarHBondContact OD2-NH1 3.24Å
106G94.6Very high98Very high11 Ų1145 Ų4511%0.11322%0.222CC..  trans734.4-178.200000114.1G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.38Å; G103-G106 PolarHBondContact O-N 2.88Å; P104-G106 PolarHBondContact O-N 3.47Å; G106-V164 WeakPolarHBondContact O-CG1 3.31Å; G106-R168 VanDerWaalsContact C-NH2 3.26Å; G106-R168 PolarHBondContact O-NE 3.27Å; G106-R168 PolarHBondContact O-NH2 3.24Å
107R97.3Very high98Very high171 Ų17144 Ų4465%0.64522%0.219SC*.  trans-77.6149.5178.8-65.8-173.2-179142.7-8.7111V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.46Å; V102-R107 WeakPolarHBondContact CB-O 3.35Å; G103-R107 PolarHBondContact N-O 3.33Å; D105-R107 PolarHBondContact O-N 3.21Å; D105-R107 WeakPolarHBondContact OD1-CB 3.2Å; D105-R107 PolarHBondContact OD1-N 3.05Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 WeakPolarHBondContact OD2-CG 3.41Å; D105-R107 IonicContact OD2-CZ 3.68Å; D105-R107 IonicContact OD2-NE 2.71Å; D105-R107 IonicContact OD2-NH1 3.53Å; D105-R107 PolarHBondContact OD2-NH1 3.24Å; R107-L109 PolarHBondContact O-N 3.27Å
108L98.4Very high98Very high50 Ų5046 Ų4626%0.26223%0.229SC..EExtended strand (participates in β ladder)trans-59.3125.2175.8-174.871.6000109.7C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.61Å; L108-R110 WeakPolarHBondContact CD1-O 3.36Å; L108-L129 HydrophobicContact CD2-CD1 4.16Å; L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L108-V164 HydrophobicContact CB-CG2 4.05Å; L108-V164 HydrophobicContact CD1-CG2 3.84Å
109L98.2Very high97.9Very high118 Ų11847.6 Ų47.662%0.61825%0.253SS*.EExtended strand (participates in β ladder)trans-94.4-44.9168.1-64.7177.8000110.5D101 R107D101-L109 PolarHBondContact O-N 2.87Å; R107-L109 PolarHBondContact O-N 3.27Å
110R98Very high97.9Very high99 Ų9955.3 Ų55.337%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-156143.8-177.2-172.4161.4168.4164.85.7111.6C100 D101 L108 Y112 E127C100-R110 WeakPolarHBondContact CA-O 3.46Å; D101-R110 PolarHBondContact N-O 3.32Å; D101-R110 PolarHBondContact O-N 3.11Å; L108-R110 WeakPolarHBondContact CD1-O 3.36Å; R110-Y112 HydrophobicContact CB-CE2 4.04Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.45Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.31Å; R110-Y112 PolarHBondContact NE-OH 3.11Å; R110-E127 IonicContact CZ-OE1 2.75Å; R110-E127 IonicContact NE-OE1 2.77Å; R110-E127 IonicContact NH1-OE1 3.47Å; R110-E127 PolarHBondContact NH1-OE1 3.35Å; R110-E127 IonicContact NH1-OE2 3.39Å; R110-E127 IonicContact NH2-OE1 3.13Å; R110-E127 PolarHBondContact NH2-OE1 2.95Å
111G98.5Very high97.9Very high4 Ų461.3 Ų61.34%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-112.4154.5170.100000111G99G99-G111 CarbonylContact O-C 3.45Å; G99-G111 WeakPolarHBondContact O-CA 3.31Å
112Y98.6Very high97.9Very high36 Ų3660.3 Ų60.314%0.14131%0.313CS..EExtended strand (participates in β ladder)trans-135.2140-178-56.9-94.1000110M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CD1 4.13Å; M97-Y112 HydrophobicContact CE-CG 4.22Å; M97-Y112 HydrophobicContact SD-CG 4.48Å; Y98-Y112 CarbonylContact C-O 3.52Å; Y98-Y112 WeakPolarHBondContact CA-O 3.38Å; Y98-Y112 VanDerWaalsContact CB-O 3.24Å; Y98-Y112 WeakPolarHBondContact CB-O 3.26Å; G99-Y112 PolarHBondContact N-O 3.16Å; G99-Y112 PolarHBondContact O-N 3.27Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.16Å; D101-Y112 PolarHBondContact OD2-OH 3.14Å; R110-Y112 HydrophobicContact CB-CE2 4.04Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CD2 4.45Å; R110-Y112 HydrophobicContact CG-CE1 4.12Å; R110-Y112 HydrophobicContact CG-CE2 3.76Å; R110-Y112 VanDerWaalsContact NE-CE1 3.31Å; R110-Y112 PolarHBondContact NE-OH 3.11Å
113D98.7Very high98Very high2 Ų260.5 Ų60.51%0.01131%0.314CS..EExtended strand (participates in β ladder)trans-153.6111.1160.3-174.674.6000107.8R96 M97 Y98 Y115 L125 L155R96-D113 IonicContact CZ-OD1 3.9Å; R96-D113 IonicContact NE-OD1 3.56Å; R96-D113 PolarHBondContact NE-OD1 2.82Å; R96-D113 IonicContact NH2-OD1 3.57Å; R96-D113 PolarHBondContact NH2-OD1 3.03Å; R96-D113 IonicContact NH2-OD2 3.95Å; M97-D113 WeakPolarHBondContact O-CA 3.38Å; Y98-D113 VanDerWaalsContact CB-OD1 3.28Å; Y98-D113 WeakPolarHBondContact CB-OD1 3.38Å; D113-Y115 WeakPolarHBondContact OD2-CE2 3.31Å; D113-L125 HydrophobicContact CB-CB 4.06Å; D113-L125 HydrophobicContact CB-CD2 4.24Å; D113-L125 WeakPolarHBondContact O-CB 3.06Å; D113-L125 PolarHBondContact O-N 3.28Å; D113-L155 HydrophobicContact CB-CD1 4.2Å
114Q98.8Very high98Very high74 Ų7461.7 Ų61.735%0.34632%0.324SS..EExtended strand (participates in β ladder)trans-143.3145.7-175.262.7-17261.900111.4R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.54Å; R96-Q114 WeakPolarHBondContact CA-O 3.39Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.43Å; M97-Q114 HydrophobicContact CE-CG 3.85Å; M97-Q114 PolarHBondContact N-O 3.32Å; M97-Q114 PolarHBondContact O-N 3.13Å; Q114-I123 WeakPolarHBondContact CA-O 3.35Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115Y98.8Very high98.2Very high29 Ų2956.1 Ų56.111%0.11429%0.287CS..EExtended strand (participates in β ladder)trans-123.2144.4-178.3-71.6-104.2000110.9I94 Q95 R96 D113 Y122 I123 W146I94-Y115 HydrophobicContact CG2-CD1 4.02Å; Q95-Y115 CarbonylContact O-C 3.57Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.33Å; R96-Y115 HydrophobicContact CB-CD1 3.84Å; R96-Y115 HydrophobicContact CB-CE1 3.71Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-OH 3.25Å; R96-Y115 WeakPolarHBondContact CD-OH 3.07Å; R96-Y115 HydrophobicContact CG-CD1 4.03Å; R96-Y115 HydrophobicContact CG-CD2 4.11Å; R96-Y115 HydrophobicContact CG-CE1 3.67Å; R96-Y115 HydrophobicContact CG-CE2 3.72Å; R96-Y115 HydrophobicContact CG-CG 4.26Å; R96-Y115 PolarHBondContact NE-OH 3.31Å; R96-Y115 VanDerWaalsContact NE-OH 3.1Å; R96-Y115 PolarHBondContact NH1-OH 3.08Å; D113-Y115 WeakPolarHBondContact OD2-CE2 3.31Å; Y115-Y122 WeakPolarHBondContact O-CB 3.41Å; Y115-Y122 PolarHBondContact O-N 2.6Å; Y115-I123 HydrophobicContact CD2-CG2 4.31Å; Y115-I123 PolarHBondContact N-O 3.08Å; Y115-I123 PolarHBondContact O-N 2.91Å; Y115-W146 AromaticContact CD2-CH2 3.82Å; Y115-W146 HydrophobicContact CD2-CH2 3.82Å; Y115-W146 HydrophobicContact CD2-CZ3 4.38Å; Y115-W146 AromaticContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CH2 3.5Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CZ2 4.43Å; Y115-W146 HydrophobicContact CE2-CZ3 4.24Å
116A98.9Very high98.3Very high15 Ų1553.8 Ų53.812%0.12427%0.274CS..EExtended strand (participates in β ladder)trans-123.8148.7169.700000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 2.96Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 3.32Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.35Å
117Y98.8Very high98.5Very high10 Ų1059.6 Ų59.64%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-125.4127.1174.5-175.2-119.9000109.8L77 L80 Y84 Q86 H92 I93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.25Å; L80-Y117 HydrophobicContact CB-CD1 4.44Å; L80-Y117 HydrophobicContact CB-CD2 4.13Å; L80-Y117 HydrophobicContact CB-CE1 4.11Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.45Å; L80-Y117 HydrophobicContact CD1-CD2 3.35Å; L80-Y117 HydrophobicContact CD1-CE2 3.73Å; L80-Y117 HydrophobicContact CD1-CG 3.8Å; L80-Y117 HydrophobicContact CG-CD2 4.32Å; L80-Y117 HydrophobicContact CG-CE2 4.39Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.43Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.42Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 AromaticContact ND1-CZ 3.91Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; I93-Y117 WeakPolarHBondContact O-CA 3.47Å; I93-Y117 VanDerWaalsContact O-CD2 3.25Å; I93-Y117 WeakPolarHBondContact O-CD2 3.49Å; I94-Y117 HydrophobicContact CG1-CD2 3.82Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å; Y117-G119 PolarHBondContact O-N 3.07Å; Y117-G119 VanDerWaalsContact O-N 3.17Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.86Å
118D98.4Very high98.5Very high64 Ų6455.1 Ų55.134%0.34229%0.287SS..THydrogen-bonded Turntrans4939.9-175.8-65.3-21.6000113.1Q86 H92 I93 K120Q86-D118 PolarHBondContact NE2-OD2 3.49Å; H92-D118 WeakPolarHBondContact CA-OD1 3.29Å; H92-D118 WeakPolarHBondContact CB-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.31Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.08Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 PolarHBondContact ND1-OD1 3.36Å; H92-D118 IonicContact ND1-OD2 3.37Å; H92-D118 PolarHBondContact ND1-OD2 2.04Å; I93-D118 PolarHBondContact N-OD1 3.18Å; I93-D118 PolarHBondContact O-N 2.86Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.34Å
119G97.8Very high98.5Very high58 Ų5853.1 Ų53.160%0.59828%0.277SS*.THydrogen-bonded Turntrans796.9177.500000115.5Y117Y117-G119 PolarHBondContact O-N 3.07Å; Y117-G119 VanDerWaalsContact O-N 3.17Å
120K98.6Very high98.5Very high162 Ų16255.2 Ų55.270%0.70428%0.276SS*.EExtended strand (participates in β ladder)trans-114.4144.9176.3-63.7-179.3-179179.10111A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.28Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.35Å; Y117-K120 PolarHBondContact N-O 2.93Å; Y117-K120 PolarHBondContact O-N 2.86Å; D118-K120 VanDerWaalsContact C-N 3.33Å; D118-K120 PolarHBondContact O-N 3.34Å; K120-Y122 PolarHBondContact O-N 3.48Å
121D98.8Very high98.5Very high125 Ų12552.4 Ų52.467%0.66827%0.272SS*.EExtended strand (participates in β ladder)trans-52.5135.1173.7-68.9-24.7000110.6A135D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å
122Y98.8Very high98.5Very high11 Ų1152.8 Ų52.84%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-114.2-63.9-180179.6-107.4000110.4L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.11Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.39Å; L80-Y122 VanDerWaalsContact CD2-OH 3.3Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.14Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.49Å; Y115-Y122 WeakPolarHBondContact O-CB 3.41Å; Y115-Y122 PolarHBondContact O-N 2.6Å; K120-Y122 PolarHBondContact O-N 3.48Å; Y122-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 PolarHBondContact O-N 3.37Å; Y122-A138 HydrophobicContact CE2-CB 4.38Å; Y122-A138 PolarHBondContact OH-O 2.85Å; Y122-A139 HydrophobicContact CD1-CB 4.49Å; Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.34Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.48Å; Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 3.13Å
123I98.8Very high98.6Very high4 Ų454.8 Ų54.82%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-149.3141.4178.4-161.7172.7000110.3Q114 Y115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.35Å; Y115-I123 HydrophobicContact CD2-CG2 4.31Å; Y115-I123 PolarHBondContact N-O 3.08Å; Y115-I123 PolarHBondContact O-N 2.91Å; I123-W132 HydrophobicContact CD1-CB 4.23Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.31Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 WeakPolarHBondContact CA-O 3.46Å; I123-T142 HydrophobicContact CD1-CG2 4.13Å; I123-Q143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CE3 4.47Å; I123-W146 HydrophobicContact CG2-CH2 4.02Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å
124A98.9Very high98.6Very high30 Ų3055.8 Ų55.825%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-134.4139.1178.700000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 CarbonylContact O-C 3.55Å; A124-W132 WeakPolarHBondContact O-CA 3.34Å; A124-T133 PolarHBondContact N-O 3Å; A124-T133 PolarHBondContact O-N 3.3Å
125L98.9Very high98.5Very high13 Ų1355.1 Ų55.17%0.06830%0.304CS..EExtended strand (participates in β ladder)trans-70.4126.5167.9-175.267.4000108.3D113 L129 W132 A152 L155 L159D113-L125 HydrophobicContact CB-CB 4.06Å; D113-L125 HydrophobicContact CB-CD2 4.24Å; D113-L125 WeakPolarHBondContact O-CB 3.06Å; D113-L125 PolarHBondContact O-N 3.28Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.76Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.16Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.24Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-A152 HydrophobicContact CD1-CB 3.9Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.46Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126N98.8Very high98.5Very high44 Ų4456.2 Ų56.224%0.23531%0.311CS..  trans-70.3162.9179.2-68-28.5000111.1D128 L129 S131 T133N126-D128 PolarHBondContact O-N 2.88Å; N126-L129 PolarHBondContact O-N 3.02Å; N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.08Å; N126-S131 PolarHBondContact N-O 2.94Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; N126-T133 PolarHBondContact ND2-OG1 3.22Å; N126-T133 WeakPolarHBondContact OD1-CB 3.49Å; N126-T133 PolarHBondContact OD1-OG1 2.92Å
127E98Very high98.5Very high132 Ų13260.8 Ų60.862%0.61734%0.338SS*.THydrogen-bonded Turntrans-59.2-22-179.3-66.8-178.4-163.700113.7R110 L129R110-E127 IonicContact CZ-OE1 2.75Å; R110-E127 IonicContact NE-OE1 2.77Å; R110-E127 IonicContact NH1-OE1 3.47Å; R110-E127 PolarHBondContact NH1-OE1 3.35Å; R110-E127 IonicContact NH1-OE2 3.39Å; R110-E127 IonicContact NH2-OE1 3.13Å; R110-E127 PolarHBondContact NH2-OE1 2.95Å; E127-L129 PolarHBondContact O-N 3.01Å
128D98Very high98.5Very high78 Ų7860.5 Ų60.542%0.41734%0.338SS..THydrogen-bonded Turntrans-70-9.4174.369.65.8000113.8N126 R130 S131N126-D128 PolarHBondContact O-N 2.88Å; D128-R130 WeakPolarHBondContact O-CG 3.23Å; D128-R130 PolarHBondContact O-N 3.49Å; D128-R130 PolarHBondContact OD1-N 3.04Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
129L98.3Very high98.5Very high8 Ų857.4 Ų57.44%0.04232%0.321CS..SBendtrans54.229-175.4-52.7-178.6000113.5L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.16Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.76Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; N126-L129 PolarHBondContact O-N 3.02Å; E127-L129 PolarHBondContact O-N 3.01Å; L129-R156 HydrophobicContact CB-CB 4.03Å; L129-R156 HydrophobicContact CB-CG 3.84Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; L129-L159 HydrophobicContact CD1-CB 4.44Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; L129-E160 HydrophobicContact CD1-CG 4.23Å
130R97.9Very high98.5Very high161 Ų16158.2 Ų58.261%0.60831%0.309SS*.SBendtrans-136.7-31.2-173.4-70.8169.7-176.3-93.416.6112.9D128 A152D128-R130 WeakPolarHBondContact O-CG 3.23Å; D128-R130 PolarHBondContact O-N 3.49Å; D128-R130 PolarHBondContact OD1-N 3.04Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å
131S98.3Very high98.5Very high40 Ų4053.3 Ų53.328%0.2829%0.29SS..  trans-117.9164.9-177.465.40000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 WeakPolarHBondContact CB-OG 3.08Å; N126-S131 PolarHBondContact N-O 2.94Å; N126-S131 PolarHBondContact ND2-OG 3.48Å; D128-S131 VanDerWaalsContact CG-OG 3.24Å; D128-S131 PolarHBondContact OD1-N 3.49Å; D128-S131 PolarHBondContact OD1-OG 3.14Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
132W98.8Very high98.5Very high12 Ų1248.1 Ų48.15%0.04526%0.263CS..EExtended strand (participates in β ladder)trans-120.1145.3-176-60.695000110.9I123 A124 L125 Q143 W146 E151 A152 L155I123-W132 HydrophobicContact CD1-CB 4.23Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.42Å; I123-W132 HydrophobicContact CG1-CB 4.31Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 CarbonylContact O-C 3.55Å; A124-W132 WeakPolarHBondContact O-CA 3.34Å; L125-W132 HydrophobicContact CB-CE3 4.04Å; L125-W132 HydrophobicContact CB-CH2 4.16Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.24Å; L125-W132 HydrophobicContact CD1-CE3 4.3Å; L125-W132 HydrophobicContact CD1-CH2 4.08Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; W132-Q143 HydrophobicContact CB-CG 4.07Å; W132-Q143 PolarHBondContact O-NE2 2.94Å; W132-W146 AromaticContact CD2-CE3 3.98Å; W132-W146 HydrophobicContact CD2-CE3 3.98Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.27Å; W132-W146 HydrophobicContact CH2-CE3 3.27Å; W132-W146 HydrophobicContact CH2-CH2 4.47Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CB 4.47Å; W132-W146 HydrophobicContact CZ2-CD2 4.3Å; W132-W146 AromaticContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CE3 3.43Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CZ3 4.01Å; 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-E151 HydrophobicContact CZ2-CB 4.24Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.84Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å
133T98.8Very high98.5Very high79 Ų7949.5 Ų49.549%0.48527%0.27SS..EExtended strand (participates in β ladder)trans-106.6116.4163.8-66.60000108.7I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.46Å; A124-T133 PolarHBondContact N-O 3Å; A124-T133 PolarHBondContact O-N 3.3Å; N126-T133 PolarHBondContact ND2-OG1 3.22Å; N126-T133 WeakPolarHBondContact OD1-CB 3.49Å; N126-T133 PolarHBondContact OD1-OG1 2.92Å
134A98.7Very high98.5Very high22 Ų2256.8 Ų56.818%0.18230%0.297CS..EExtended strand (participates in β ladder)trans-95.8130.7174.700000110.3A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.72Å; A134-Q140 HydrophobicContact CB-CG 3.91Å; A134-Q143 HydrophobicContact CB-CB 4.44Å
135A98.5Very high98.5Very high60 Ų6060.5 Ų60.550%0.49631%0.308SS..SBendtrans-73.3-30.9-17600000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.45Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 WeakPolarHBondContact O-CB 3.38Å; Y122-A135 PolarHBondContact O-N 3.37Å
136D98.4Very high98.4Very high52 Ų5262.4 Ų62.428%0.27831%0.314SS..SBendtrans-151.7-175.6-178.666.428.6000113Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.34Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.44Å; Y84-D136 PolarHBondContact OH-OD2 3.39Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.28Å; D136-A138 PolarHBondContact OD1-N 3.08Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 2.7Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.85Å
137T98.3Very high98.4Very high111 Ų11164.9 Ų64.968%0.68132%0.324SS*.Hα-helixtrans-65.4-27.1-179.851.40000113.9
138A98.2Very high98.5Very high4 Ų462.8 Ų62.83%0.03333%0.329CS..Hα-helixtrans-72.4-4517500000109.9Y84 Y122 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.38Å; Y122-A138 PolarHBondContact OH-O 2.85Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.28Å; D136-A138 PolarHBondContact OD1-N 3.08Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.88Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.24Å; A138-I141 PolarHBondContact O-N 3.14Å
139A98.6Very high98.5Very high0 Ų061.4 Ų61.40%033%0.329CS..Hα-helixtrans-60.1-34.217400000113.4Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD1-CB 4.49Å; Y122-A139 HydrophobicContact CD2-CB 3.85Å; Y122-A139 HydrophobicContact CE1-CB 4.34Å; Y122-A139 HydrophobicContact CE2-CB 3.7Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 VanDerWaalsContact CZ-CA 3.47Å; Y122-A139 WeakPolarHBondContact O-CB 3.48Å; A134-A139 HydrophobicContact CB-CB 3.72Å; D136-A139 PolarHBondContact O-N 2.86Å; D136-A139 PolarHBondContact OD1-N 2.7Å; A139-I141 PolarHBondContact O-N 2.86Å; A139-T142 WeakPolarHBondContact O-CB 3.17Å; A139-T142 PolarHBondContact O-N 2.97Å; A139-Q143 PolarHBondContact O-N 2.61Å
140Q98.8Very high98.4Very high74 Ų7468.6 Ų68.635%0.34636%0.356SS..Hα-helixtrans-60.7-27.5173.3-73173.48.900113.1A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.91Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.85Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 2.88Å; Q140-R144 VanDerWaalsContact O-CG 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 3.36Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.6Very high98.4Very high59 Ų5963.9 Ų63.930%0.30334%0.34SS..Hα-helixtrans-66.9-44.4173.8-58.2170.1000109.7Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.06Å; Y83-I141 HydrophobicContact CD2-CD1 4.47Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.25Å; Y83-I141 HydrophobicContact CE2-CG2 4.06Å; Y83-I141 HydrophobicContact CG-CD1 4.13Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.24Å; A138-I141 PolarHBondContact O-N 3.14Å; A139-I141 PolarHBondContact O-N 2.86Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 3.07Å
142T98.5Very high98.5Very high17 Ų1762.4 Ų62.410%0.10433%0.331CS..Hα-helixtrans-63.7-45.8174.3-67.70000111.1Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.23Å; Y122-T142 PolarHBondContact OH-OG1 3.13Å; I123-T142 HydrophobicContact CD1-CG2 4.13Å; A139-T142 WeakPolarHBondContact O-CB 3.17Å; A139-T142 PolarHBondContact O-N 2.97Å; T142-R144 PolarHBondContact O-N 3.26Å; T142-K145 WeakPolarHBondContact O-CB 3.36Å; T142-K145 PolarHBondContact O-N 3.13Å; T142-K145 VanDerWaalsContact O-N 3.07Å; T142-W146 HydrophobicContact CG2-CD2 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.49Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.25Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.38Å; T142-W146 PolarHBondContact O-N 3.11Å
143Q98.7Very high98.4Very high39 Ų3967.2 Ų67.218%0.18235%0.354CS..Hα-helixtrans-51.8-52.5178177.7175.18.800111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.87Å; W132-Q143 HydrophobicContact CB-CG 4.07Å; W132-Q143 PolarHBondContact O-NE2 2.94Å; A134-Q143 HydrophobicContact CB-CB 4.44Å; A139-Q143 PolarHBondContact O-N 2.61Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.92Å; Q143-W146 PolarHBondContact O-N 2.86Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.32Å; Q143-E147 PolarHBondContact O-N 2.85Å
144R98.7Very high98.4Very high157 Ų15769.5 Ų69.559%0.59236%0.359SS*.Hα-helixtrans-58.7-37.9179.6-69.3169.7-167.9155.47.8112.6Q140 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.32Å; Q140-R144 WeakPolarHBondContact O-CG 3.46Å; Q140-R144 PolarHBondContact O-N 3.36Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; T142-R144 PolarHBondContact O-N 3.26Å; R144-A148 WeakPolarHBondContact O-CB 3.45Å; R144-A148 PolarHBondContact O-N 3.05Å; R144-A148 VanDerWaalsContact O-N 3.08Å
145K98.3Very high98.3Very high109 Ų10969.6 Ų69.647%0.47436%0.356SS..Hα-helixtrans-67.4-44.6176.9-70.7176.2176.2-174.40111.5Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.35Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 3.07Å; T142-K145 WeakPolarHBondContact O-CB 3.36Å; T142-K145 PolarHBondContact O-N 3.13Å; T142-K145 VanDerWaalsContact O-N 3.07Å; Q143-K145 VanDerWaalsContact C-N 3.27Å; Q143-K145 PolarHBondContact O-N 2.92Å; K145-A148 PolarHBondContact O-N 3.24Å; K145-A149 WeakPolarHBondContact O-CB 3.47Å; K145-A149 PolarHBondContact O-N 2.99Å
146W98.4Very high98.3Very high53 Ų5369.9 Ų69.920%0.20135%0.345CS..Hα-helixtrans-70.4-35.3-178.8-73.94.2000112.6Y115 I123 W132 T142 Q143 A149 R150 E151Y115-W146 AromaticContact CD2-CH2 3.82Å; Y115-W146 HydrophobicContact CD2-CH2 3.82Å; Y115-W146 HydrophobicContact CD2-CZ3 4.38Å; Y115-W146 AromaticContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CH2 3.5Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CZ2 4.43Å; Y115-W146 HydrophobicContact CE2-CZ3 4.24Å; I123-W146 HydrophobicContact CD1-CE3 4.1Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CE3 4.47Å; I123-W146 HydrophobicContact CG2-CH2 4.02Å; I123-W146 HydrophobicContact CG2-CZ3 3.68Å; W132-W146 AromaticContact CD2-CE3 3.98Å; W132-W146 HydrophobicContact CD2-CE3 3.98Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CH2-CD2 4.39Å; W132-W146 AromaticContact CH2-CE3 3.27Å; W132-W146 HydrophobicContact CH2-CE3 3.27Å; W132-W146 HydrophobicContact CH2-CH2 4.47Å; W132-W146 AromaticContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CH2-CZ3 3.32Å; W132-W146 HydrophobicContact CZ2-CB 4.47Å; W132-W146 HydrophobicContact CZ2-CD2 4.3Å; W132-W146 AromaticContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CE3 3.43Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CZ3 4.01Å; 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 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.49Å; T142-W146 HydrophobicContact CG2-CE3 4.1Å; T142-W146 HydrophobicContact CG2-CG 4.07Å; T142-W146 HydrophobicContact CG2-CH2 4.25Å; T142-W146 HydrophobicContact CG2-CZ2 3.83Å; T142-W146 HydrophobicContact CG2-CZ3 4.38Å; T142-W146 PolarHBondContact O-N 3.11Å; Q143-W146 PolarHBondContact O-N 2.86Å; Q143-W146 VanDerWaalsContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.29Å; W146-R150 WeakPolarHBondContact O-CA 3.23Å; W146-R150 PolarHBondContact O-N 3.27Å; W146-E151 HydrophobicContact CB-CB 4Å; W146-E151 HydrophobicContact CB-CG 3.88Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.18Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 3.39Å
147E98.6Very high98.3Very high96 Ų9670.6 Ų70.645%0.44936%0.357SS..Hα-helixtrans-63.9-46.7170.7-73.1170.5173.600111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.42Å; Q143-E147 PolarHBondContact NE2-OE1 2.9Å; Q143-E147 WeakPolarHBondContact O-CB 3.36Å; Q143-E147 WeakPolarHBondContact O-CG 3.32Å; Q143-E147 PolarHBondContact O-N 2.85Å; E147-A149 VanDerWaalsContact C-N 3.29Å; E147-A149 PolarHBondContact O-N 2.85Å; E147-R150 PolarHBondContact O-N 2.72Å; E147-R150 VanDerWaalsContact O-N 3.13Å
148A98.4Very high98.3Very high87 Ų8767.7 Ų67.772%0.71933%0.334SS*.Hα-helixtrans-62.4-35.5176.900000112.8R144 K145R144-A148 WeakPolarHBondContact O-CB 3.45Å; R144-A148 PolarHBondContact O-N 3.05Å; R144-A148 VanDerWaalsContact O-N 3.08Å; K145-A148 PolarHBondContact O-N 3.24Å
149A98.1Very high98.4Very high50 Ų5067.5 Ų67.541%0.41333%0.333SS..THydrogen-bonded Turntrans-86.4-3.3177.100000114.1K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.47Å; K145-A149 PolarHBondContact O-N 2.99Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.29Å; E147-A149 VanDerWaalsContact C-N 3.29Å; E147-A149 PolarHBondContact O-N 2.85Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 2.88Å
150R98Very high98.4Very high158 Ų15871.9 Ų71.960%0.59635%0.353SS*.THydrogen-bonded Turntrans54.238.9-176.7-56.8-179.8172.6-149.84.2113.9W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.23Å; W146-R150 PolarHBondContact O-N 3.27Å; E147-R150 PolarHBondContact O-N 2.72Å; E147-R150 VanDerWaalsContact O-N 3.13Å; R150-A152 PolarHBondContact O-N 2.84Å; R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.26Å; R150-E153 IonicContact CZ-OE1 2.82Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.33Å; R150-E153 IonicContact NH1-OE2 2.85Å; R150-E153 WeakPolarHBondContact O-CB 3.39Å; R150-E153 PolarHBondContact O-N 2.86Å; R150-E153 VanDerWaalsContact O-N 3.08Å
151E97.9Very high98.3Very high62 Ų6269.3 Ų69.329%0.2935%0.347SS..Hα-helixtrans-58.9-34.8-177.5-66.7-69176.500112.6W132 W146 A149 E153 Q154 L155W132-E151 HydrophobicContact CZ2-CB 4.24Å; W146-E151 HydrophobicContact CB-CB 4Å; W146-E151 HydrophobicContact CB-CG 3.88Å; W146-E151 HydrophobicContact CD2-CG 4.48Å; W146-E151 HydrophobicContact CG-CB 4.18Å; W146-E151 HydrophobicContact CG-CG 3.82Å; W146-E151 PolarHBondContact O-N 3.39Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 HydrophobicContact CB-CG 4.06Å; A149-E151 PolarHBondContact O-N 2.88Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.6Å; E151-Q154 PolarHBondContact O-N 3.21Å; E151-Q154 VanDerWaalsContact O-N 3.14Å; E151-L155 PolarHBondContact O-N 3.47Å
152A98.4Very high98.3Very high9 Ų970.5 Ų70.57%0.07435%0.353CS..Hα-helixtrans-59.8-34.5177.800000112.7L125 R130 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.9Å; R130-A152 WeakPolarHBondContact O-CB 3.32Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; R150-A152 PolarHBondContact O-N 2.84Å; A152-Q154 PolarHBondContact O-N 3.05Å; A152-L155 PolarHBondContact O-N 2.92Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.47Å
153E98.1Very high98.3Very high113 Ų11369.7 Ų69.753%0.52835%0.349SS..Hα-helixtrans-65.5-39.4177.8-64178.8-171.300111.4R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.26Å; R150-E153 IonicContact CZ-OE1 2.82Å; R150-E153 IonicContact NH1-OE1 3.99Å; R150-E153 PolarHBondContact NH1-OE1 3.33Å; R150-E153 IonicContact NH1-OE2 2.85Å; R150-E153 WeakPolarHBondContact O-CB 3.39Å; R150-E153 PolarHBondContact O-N 2.86Å; R150-E153 VanDerWaalsContact O-N 3.08Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.6Å; E153-A157 PolarHBondContact O-N 3.19Å; E153-A157 VanDerWaalsContact O-N 3.08Å
154Q97.3Very high98.3Very high127 Ų12768.2 Ų68.259%0.59334%0.342SS*.Hα-helixtrans-69.8-44.7177.9-59.8-174.330.900111.7E151 A152 R156 A157 Y158E151-Q154 PolarHBondContact O-N 3.21Å; E151-Q154 VanDerWaalsContact O-N 3.14Å; A152-Q154 PolarHBondContact O-N 3.05Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-A157 PolarHBondContact O-N 2.9Å; Q154-Y158 PolarHBondContact O-N 3.17Å
155L98.1Very high98.3Very high24 Ų2466.2 Ų66.213%0.12634%0.339CS..Hα-helixtrans-63.1-43.4177.5-71169.4000111.1D113 L125 W132 E151 A152 A157 Y158 L159D113-L155 HydrophobicContact CB-CD1 4.2Å; L125-L155 HydrophobicContact CD2-CB 4.18Å; L125-L155 HydrophobicContact CD2-CD1 4.46Å; W132-L155 HydrophobicContact CH2-CD1 3.37Å; W132-L155 HydrophobicContact CZ2-CD1 3.84Å; W132-L155 HydrophobicContact CZ3-CD1 4.47Å; E151-L155 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 2.92Å; L155-A157 PolarHBondContact O-N 2.77Å; L155-Y158 WeakPolarHBondContact O-CB 3.49Å; L155-Y158 PolarHBondContact O-N 2.71Å; L155-L159 WeakPolarHBondContact O-CB 3.41Å; L155-L159 VanDerWaalsContact O-CG 3.23Å; L155-L159 WeakPolarHBondContact O-CG 3.11Å; L155-L159 PolarHBondContact O-N 2.82Å
156R98.5Very high98.3Very high67 Ų6763.3 Ų63.325%0.25333%0.326SS..Hα-helixtrans-58.7-45.9175-175.8172.7178.6-131.5-11.2112.2L129 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.03Å; L129-R156 HydrophobicContact CB-CG 3.84Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.47Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.46Å; R156-L159 PolarHBondContact O-N 3.47Å; R156-E160 HydrophobicContact CG-CG 4.1Å; R156-E160 IonicContact CZ-OE1 3.64Å; R156-E160 VanDerWaalsContact CZ-OE1 3.25Å; R156-E160 IonicContact CZ-OE2 3.5Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 2.76Å; R156-E160 PolarHBondContact NE-OE1 3.1Å; R156-E160 IonicContact NE-OE2 2.66Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 IonicContact NH2-OE1 3.96Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 IonicContact NH2-OE2 3.9Å; R156-E160 PolarHBondContact NH2-OE2 3.38Å; R156-E160 WeakPolarHBondContact O-CB 3.23Å; R156-E160 PolarHBondContact O-N 3.28Å
157A98.5Very high98.3Very high66 Ų6660.8 Ų60.855%0.54532%0.316SS..Hα-helixtrans-60.1-38.617700000112.4E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.19Å; E153-A157 VanDerWaalsContact O-N 3.08Å; Q154-A157 PolarHBondContact O-N 2.9Å; L155-A157 PolarHBondContact O-N 2.77Å; A157-G161 PolarHBondContact O-N 2.86Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.4Very high98.3Very high50 Ų5061.8 Ų61.820%0.19632%0.316CS..Iπ-helixtrans-66.8-48.2173.4169.8-98.7000112.4Y98 Q154 L155 R156 G161 L162 C163Y98-Y158 AromaticContact CD2-CE1 3.79Å; Y98-Y158 HydrophobicContact CD2-CE1 3.79Å; Y98-Y158 AromaticContact CE2-CE1 3.62Å; Y98-Y158 HydrophobicContact CE2-CE1 3.62Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 3.17Å; L155-Y158 WeakPolarHBondContact O-CB 3.49Å; L155-Y158 PolarHBondContact O-N 2.71Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 3.46Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-G161 PolarHBondContact O-N 2.85Å; Y158-L162 HydrophobicContact CD2-CB 3.81Å; Y158-L162 HydrophobicContact CD2-CD1 4.27Å; Y158-L162 HydrophobicContact CE2-CB 4.03Å; Y158-L162 PolarHBondContact O-N 2.79Å; Y158-L162 VanDerWaalsContact O-N 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.88Å
159L98.7Very high98.3Very high1 Ų163.2 Ų63.21%0.00530%0.302CS..Iπ-helixtrans-68.8-40.4-174.4-70.4171.7000112.5G99 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.49Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD1-CB 4.44Å; L129-L159 HydrophobicContact CD2-CD1 3.92Å; L155-L159 WeakPolarHBondContact O-CB 3.41Å; L155-L159 VanDerWaalsContact O-CG 3.23Å; L155-L159 WeakPolarHBondContact O-CG 3.11Å; L155-L159 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 3.47Å; L159-V164 WeakPolarHBondContact O-CG2 3.5Å
160E98.4Very high98.3Very high91 Ų9160.9 Ų60.943%0.42528%0.283SS..Iπ-helixtrans-77.6-25.9176.8-68.7-179.3164.100112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.7Å; L129-E160 HydrophobicContact CD1-CG 4.23Å; R156-E160 HydrophobicContact CG-CG 4.1Å; R156-E160 IonicContact CZ-OE1 3.64Å; R156-E160 VanDerWaalsContact CZ-OE1 3.25Å; R156-E160 IonicContact CZ-OE2 3.5Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 2.76Å; R156-E160 PolarHBondContact NE-OE1 3.1Å; R156-E160 IonicContact NE-OE2 2.66Å; R156-E160 PolarHBondContact NE-OE2 3.06Å; R156-E160 IonicContact NH2-OE1 3.96Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 IonicContact NH2-OE2 3.9Å; R156-E160 PolarHBondContact NH2-OE2 3.38Å; R156-E160 WeakPolarHBondContact O-CB 3.23Å; R156-E160 PolarHBondContact O-N 3.28Å
161G98.3Very high98.3Very high21 Ų2154.1 Ų54.122%0.21626%0.258CS..Iπ-helixtrans-106.2-94.9-177.700000112.8A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.86Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-G161 PolarHBondContact O-N 2.85Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.9Å; G161-V164 PolarHBondContact O-N 2.88Å; G161-V164 VanDerWaalsContact O-N 3.11Å; G161-E165 WeakPolarHBondContact O-CG 3.39Å; G161-E165 PolarHBondContact O-N 3.21Å
162L98.1Very high98.3Very high84 Ų8459 Ų5944%0.4428%0.279SS..Iπ-helixtrans-55.5-39.6-169.4-70.7176.6000113.5Y158 V164 E165 W166Y158-L162 HydrophobicContact CD2-CB 3.81Å; Y158-L162 HydrophobicContact CD2-CD1 4.27Å; Y158-L162 HydrophobicContact CE2-CB 4.03Å; Y158-L162 PolarHBondContact O-N 2.79Å; Y158-L162 VanDerWaalsContact O-N 3.11Å; L162-V164 PolarHBondContact O-N 2.9Å; L162-E165 PolarHBondContact O-N 2.96Å; L162-W166 WeakPolarHBondContact O-CB 3.32Å; L162-W166 PolarHBondContact O-N 3.49Å
163C98.7Very high98.2Very high0 Ų061 Ų610%029%0.288CS..Iπ-helixtrans-59.2-50.5179-171.70000111.1M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.17Å; M4-C163 WeakPolarHBondContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-SG 3.35Å; C100-C163 HydrophobicContact CB-CB 3.91Å; C100-C163 WeakPolarHBondContact CB-SG 3.47Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.93Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 2.9Å; C163-W166 PolarHBondContact O-N 2.86Å; C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 2.91Å
164V98.7Very high98.2Very high7 Ų755.8 Ų55.84%0.04227%0.265CS..Hα-helixtrans-65.5-41.9179.3173.60000111.4C100 V102 G106 L108 L159 G161 L162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.42Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 4.02Å; V102-V164 HydrophobicContact CG1-CG2 3.95Å; G106-V164 WeakPolarHBondContact O-CG1 3.31Å; L108-V164 HydrophobicContact CB-CG2 4.05Å; L108-V164 HydrophobicContact CD1-CG2 3.84Å; L159-V164 WeakPolarHBondContact O-CG2 3.5Å; G161-V164 PolarHBondContact O-N 2.88Å; G161-V164 VanDerWaalsContact O-N 3.11Å; L162-V164 PolarHBondContact O-N 2.9Å; V164-L167 PolarHBondContact O-N 3.01Å; V164-R168 WeakPolarHBondContact O-CB 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 3.18Å
165E98.5Very high98.1Very high116 Ų11656 Ų5654%0.54226%0.264SS..Hα-helixtrans-60.9-47.2178-71.9175.5-178.400112.2G161 L162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.39Å; G161-E165 PolarHBondContact O-N 3.21Å; L162-E165 PolarHBondContact O-N 2.96Å; E165-R168 PolarHBondContact O-N 3.14Å; E165-R169 PolarHBondContact O-N 2.9Å
166W98.4Very high97.8Very high48 Ų4863.1 Ų63.118%0.18230%0.296CS..Hα-helixtrans-68.3-41.6178.2-81.4101.2000112M4 Y58 L162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.13Å; M4-W166 HydrophobicContact SD-CB 4.45Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.23Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.24Å; Y58-W166 AromaticContact CE2-CH2 3.95Å; Y58-W166 HydrophobicContact CE2-CH2 3.95Å; Y58-W166 AromaticContact CE2-CZ3 3.78Å; Y58-W166 HydrophobicContact CE2-CZ3 3.78Å; L162-W166 WeakPolarHBondContact O-CB 3.32Å; L162-W166 PolarHBondContact O-N 3.49Å; C163-W166 PolarHBondContact O-N 2.86Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.35Å; W166-R169 WeakPolarHBondContact O-CB 3.34Å; W166-R169 PolarHBondContact O-N 3.43Å; W166-R169 VanDerWaalsContact O-N 3.14Å; W166-Y170 HydrophobicContact CB-CE2 4.15Å; W166-Y170 HydrophobicContact CE3-CD1 4.45Å; W166-Y170 AromaticContact CE3-CE1 3.53Å; W166-Y170 HydrophobicContact CE3-CE1 3.53Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.23Å; W166-Y170 AromaticContact CZ3-CE1 3.94Å; W166-Y170 HydrophobicContact CZ3-CE1 3.94Å; W166-Y170 WeakPolarHBondContact O-CD2 3.36Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 2.87Å
167L98.7Very high97.5Very high0 Ų063.1 Ų63.10%030%0.304CS..Hα-helixtrans-58.2-46.1174.917552.6000111.2H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.37Å; M4-L167 HydrophobicContact CB-CB 4.04Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.1Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.41Å; M4-L167 HydrophobicContact SD-CB 4.43Å; V27-L167 HydrophobicContact CG1-CD1 3.59Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.94Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.22Å; C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 2.91Å; V164-L167 PolarHBondContact O-N 3.01Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.8Å; L167-Y170 PolarHBondContact O-N 3.31Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 2.6Å
168R98.3Very high97.3Very high117 Ų11760.1 Ų60.144%0.44228%0.279SS..Hα-helixtrans-60.6-40.4175.5-72.1173.3-176.6178.12.1112.5G106 V164 E165 W166 K172G106-R168 VanDerWaalsContact C-NH2 3.26Å; G106-R168 PolarHBondContact O-NE 3.27Å; G106-R168 PolarHBondContact O-NH2 3.24Å; V164-R168 WeakPolarHBondContact O-CB 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 3.18Å; E165-R168 PolarHBondContact O-N 3.14Å; W166-R168 VanDerWaalsContact C-N 3.34Å; W166-R168 PolarHBondContact O-N 3.35Å; R168-K172 WeakPolarHBondContact O-CB 3.36Å; R168-K172 PolarHBondContact O-N 3.2Å
169R98.1Very high97Very high116 Ų11662.4 Ų62.444%0.43829%0.291SS..Hα-helixtrans-62.1-46.2175.2178.4178.4173.7111.9-5111E54 E165 W166 L167 K172 N173E54-R169 VanDerWaalsContact CD-NH2 3.33Å; E54-R169 IonicContact OE1-CZ 3.33Å; E54-R169 IonicContact OE1-NE 3.34Å; E54-R169 PolarHBondContact OE1-NE 3.39Å; E54-R169 IonicContact OE1-NH2 3.02Å; E54-R169 PolarHBondContact OE1-NH2 3.13Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.55Å; E54-R169 PolarHBondContact OE2-NE 2.75Å; E54-R169 IonicContact OE2-NH2 2.86Å; E54-R169 PolarHBondContact OE2-NH2 3.47Å; E165-R169 PolarHBondContact O-N 2.9Å; W166-R169 WeakPolarHBondContact O-CB 3.34Å; W166-R169 PolarHBondContact O-N 3.43Å; W166-R169 VanDerWaalsContact O-N 3.14Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 2.8Å; R169-K172 WeakPolarHBondContact O-CB 3.42Å; R169-K172 PolarHBondContact O-N 2.83Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 3.5Å; R169-N173 PolarHBondContact O-OD1 3.2Å
170Y98.4Very high96.7Very high1 Ų168.4 Ų68.40%0.00431%0.314CS..Hα-helixtrans-64.9-42.1178.6-61.3-28000112.5M4 V27 F32 W50 V51 Y58 W166 L167 K172 N173 G174M4-Y170 HydrophobicContact SD-CD2 3.74Å; M4-Y170 HydrophobicContact SD-CE2 3.57Å; M4-Y170 VanDerWaalsContact SD-CE2 3.57Å; V27-Y170 HydrophobicContact CG2-CD2 3.88Å; V27-Y170 HydrophobicContact CG2-CG 4.43Å; F32-Y170 AromaticContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CE2-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CD2 4.47Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CE3-CD1 4.13Å; W50-Y170 HydrophobicContact CE3-CG 4.34Å; W50-Y170 HydrophobicContact CH2-CD1 4.4Å; W50-Y170 HydrophobicContact CH2-CD2 4.25Å; W50-Y170 AromaticContact CH2-CG 3.95Å; W50-Y170 HydrophobicContact CH2-CG 3.95Å; W50-Y170 AromaticContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD1 3.48Å; W50-Y170 VanDerWaalsContact CZ3-CD1 3.48Å; W50-Y170 HydrophobicContact CZ3-CD2 4.1Å; W50-Y170 HydrophobicContact CZ3-CE1 4.15Å; W50-Y170 AromaticContact CZ3-CG 3.46Å; W50-Y170 HydrophobicContact CZ3-CG 3.46Å; W50-Y170 VanDerWaalsContact CZ3-CG 3.46Å; V51-Y170 HydrophobicContact CG2-CE1 4.32Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.25Å; Y58-Y170 PolarHBondContact OH-OH 3.39Å; W166-Y170 HydrophobicContact CB-CE2 4.15Å; W166-Y170 HydrophobicContact CE3-CD1 4.45Å; W166-Y170 AromaticContact CE3-CE1 3.53Å; W166-Y170 HydrophobicContact CE3-CE1 3.53Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.23Å; W166-Y170 AromaticContact CZ3-CE1 3.94Å; W166-Y170 HydrophobicContact CZ3-CE1 3.94Å; W166-Y170 WeakPolarHBondContact O-CD2 3.36Å; W166-Y170 VanDerWaalsContact O-CG 3.25Å; W166-Y170 PolarHBondContact O-N 2.87Å; L167-Y170 PolarHBondContact O-N 3.31Å; Y170-K172 VanDerWaalsContact C-N 3.26Å; Y170-K172 PolarHBondContact O-N 2.74Å; Y170-N173 PolarHBondContact O-N 2.88Å; Y170-G174 PolarHBondContact O-N 2.77Å
171L98Very high96.5Very high16 Ų1665.9 Ų65.98%0.08431%0.309CS..Hα-helixtrans-61.4-35.2174.5-69.4170000112.5H2 V27 L167 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.72Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.46Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.22Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.39Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 4.01Å; L167-L171 HydrophobicContact CG-CG 4.45Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 2.6Å; L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 PolarHBondContact O-N 2.95Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; L171-Q179 PolarHBondContact O-NE2 3.1Å
172K97.4Very high96.4Very high166 Ų16667.6 Ų67.672%0.72231%0.311SS*.Hα-helixtrans-69.4-46173.8-175.7-177.2-176.8-174.60111.5R168 R169 Y170R168-K172 WeakPolarHBondContact O-CB 3.36Å; R168-K172 PolarHBondContact O-N 3.2Å; R169-K172 WeakPolarHBondContact O-CB 3.42Å; R169-K172 PolarHBondContact O-N 2.83Å; Y170-K172 VanDerWaalsContact C-N 3.26Å; Y170-K172 PolarHBondContact O-N 2.74Å
173N97.4Very high96.4Very high49 Ų4968.8 Ų68.826%0.26231%0.314SS..Hα-helixtrans-68.3-41-176.7-76.93.7000112.6W50 Q53 E54 R169 Y170W50-N173 HydrophobicContact CB-CB 4.44Å; Q53-N173 PolarHBondContact NE2-ND2 3.17Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.2Å; E54-N173 PolarHBondContact OE1-ND2 3.23Å; R169-N173 VanDerWaalsContact O-CB 3.31Å; R169-N173 WeakPolarHBondContact O-CB 3.44Å; R169-N173 PolarHBondContact O-N 3.5Å; R169-N173 PolarHBondContact O-OD1 3.2Å; Y170-N173 PolarHBondContact O-N 2.88Å
174G96.9Very high96.3Very high4 Ų468.9 Ų68.94%0.04132%0.315CS..THydrogen-bonded Turntrans-102.226.2-178.700000113.5Y170 E176 T177 L178Y170-G174 PolarHBondContact O-N 2.77Å; G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.13Å; G174-T177 PolarHBondContact O-N 2.81Å; G174-T177 PolarHBondContact O-OG1 3.34Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å; G174-L178 WeakPolarHBondContact O-CB 3.25Å; G174-L178 PolarHBondContact O-N 2.77Å
175K95.3Very high96.3Very high132 Ų13275.5 Ų75.557%0.57434%0.343SS*.Hα-helixtrans-51.2-40.2-173.5-178178.6-179.7-173.70113.5L171 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 PolarHBondContact O-N 2.95Å; K175-T177 PolarHBondContact O-N 2.81Å; K175-Q179 HydrophobicContact CG-CB 4.41Å; K175-Q179 HydrophobicContact CG-CG 4.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.31Å; K175-Q179 PolarHBondContact O-N 3.33Å
176E92.1Very high96.3Very high174 Ų17471.7 Ų71.781%0.81333%0.328SS*.Hα-helixtrans-66-26.1-177.1-64.1-177.2170.900113.4G174G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.13Å
177T92.3Very high96.2Very high66 Ų6673.2 Ų73.241%0.40534%0.337SS..Hα-helixtrans-106.3-45.3-178.4560000112.4G174 K175G174-T177 PolarHBondContact O-N 2.81Å; G174-T177 PolarHBondContact O-OG1 3.34Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å; K175-T177 PolarHBondContact O-N 2.81Å
178L94.4Very high96.1Very high4 Ų474.7 Ų74.72%0.02134%0.344CS..Hα-helixtrans-83-21.5-171.6-61.7173.7000113.7H2 V27 T30 W50 L171 G174H2-L178 PolarHBondContact CE1-O 2.9Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.47Å; W50-L178 HydrophobicContact CZ2-CD1 3.85Å; W50-L178 HydrophobicContact CZ2-CD2 4.26Å; L171-L178 HydrophobicContact CD2-CB 4.09Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; G174-L178 WeakPolarHBondContact O-CB 3.25Å; G174-L178 PolarHBondContact O-N 2.77Å
179Q92.1Very high96.1Very high97 Ų9770.8 Ų70.845%0.45333%0.333SS..THydrogen-bonded Turntrans-108.416.8177.6-58.2-178.130.100111.9L171 K175L171-Q179 PolarHBondContact O-NE2 3.1Å; K175-Q179 HydrophobicContact CG-CB 4.41Å; K175-Q179 HydrophobicContact CG-CG 4.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.31Å; K175-Q179 PolarHBondContact O-N 3.33Å
180R92Very high96Very high127 Ų12767.7 Ų67.748%0.47932%0.324SS..PPolyproline II helixtrans-100.9135.4172.4-179.8175.983.3-165.85.5108.7E182 Y208R180-E182 HydrophobicContact CG-CG 4.4Å; R180-E182 IonicContact CZ-OE1 2.73Å; R180-E182 IonicContact NE-OE1 3.76Å; R180-E182 PolarHBondContact NE-OE1 3.07Å; R180-E182 IonicContact NH2-OE1 3.75Å; R180-E182 PolarHBondContact NH2-OE1 2.84Å; R180-E182 IonicContact NH2-OE2 2.7Å; R180-Y208 VanDerWaalsContact O-CD1 3.3Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å
181A94.9Very high95.9Very high39 Ų3971.3 Ų71.332%0.32234%0.34SS..PPolyproline II helixtrans-102.8127.7160.900000109.1Y208 E263A181-Y208 CarbonylContact C-O 3.58Å; A181-Y208 VanDerWaalsContact CA-O 3.31Å; A181-Y208 WeakPolarHBondContact CA-O 3.38Å; A181-E263 HydrophobicContact CB-CG 4.04Å
182E96Very high95.7Very high57 Ų5775.3 Ų75.327%0.26637%0.367SS..BIsolated β-bridgetrans-97.1119.9169.9-71-176.8-112.900108.9R180 F207 Y208 H262R180-E182 HydrophobicContact CG-CG 4.4Å; R180-E182 IonicContact CZ-OE1 2.73Å; R180-E182 IonicContact NE-OE1 3.76Å; R180-E182 PolarHBondContact NE-OE1 3.07Å; R180-E182 IonicContact NH2-OE1 3.75Å; R180-E182 PolarHBondContact NH2-OE1 2.84Å; R180-E182 IonicContact NH2-OE2 2.7Å; E182-F207 WeakPolarHBondContact O-CA 3.25Å; E182-F207 WeakPolarHBondContact O-CB 3.46Å; E182-Y208 PolarHBondContact N-O 3.33Å; E182-Y208 PolarHBondContact O-N 3.41Å; E182-H262 PolarHBondContact O-CE1 3.14Å
183H96.8Very high95.6Very high108 Ų10871.8 Ų71.850%0.536%0.359SS..PPolyproline II helixtrans-69.9147.8179.159.3-98.7000111.3K185 L265H183-K185 PolarHBondContact O-N 3.39Å; H183-L265 HydrophobicContact CB-CD2 3.89Å; H183-L265 HydrophobicContact CB-CG 4.39Å
184P98.2Very high95.4Very high3 Ų371.9 Ų71.92%0.01936%0.364CS..PPolyproline II helixtrans-66.3131.817627.7-34.9000111.2T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.05Å; P184-T186 HydrophobicContact CG-CG2 4.23Å; P184-T186 PolarHBondContact O-N 2.88Å; P184-A204 HydrophobicContact CB-CB 3.81Å; P184-F207 HydrophobicContact CB-CB 3.92Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.22Å; P184-I212 HydrophobicContact CB-CD1 3.94Å; P184-I212 HydrophobicContact CG-CD1 4.05Å; P184-V260 HydrophobicContact CG-CG1 3.84Å; P184-H262 HydrophobicContact CG-CB 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CG 4.26Å
185K98.3Very high95.2Very high146 Ų14679 Ų7964%0.63540%0.401SS*.EExtended strand (participates in β ladder)trans-79.3106.9163.3-64.7173.9-172.1166.80107.8H183 L205H183-K185 PolarHBondContact O-N 3.39Å; K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 2.9Å
186T98.2Very high95.1Very high36 Ų3679.5 Ų79.522%0.22141%0.405CS..EExtended strand (participates in β ladder)trans-101.5137.7-17454.20000112P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.05Å; P184-T186 HydrophobicContact CG-CG2 4.23Å; P184-T186 PolarHBondContact O-N 2.88Å; T186-W203 WeakPolarHBondContact CA-O 3.19Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; T186-V260 HydrophobicContact CG2-CB 4.29Å; T186-V260 HydrophobicContact CG2-CG1 4.04Å; T186-V260 HydrophobicContact CG2-CG2 3.95Å; T186-L269 HydrophobicContact CG2-CD1 4.16Å; T186-L271 HydrophobicContact CG2-CD1 4.32Å
187H96.8Very high95.3Very high80 Ų8075.7 Ų75.737%0.3739%0.387SS..EExtended strand (participates in β ladder)trans-152.2164.617068-77.2000110.1W203H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.91Å; H187-W203 AromaticContact CE1-CG 3.59Å; H187-W203 PolarHBondContact N-O 3.12Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.68Å; H187-W203 PolarHBondContact O-N 3.49Å
188M96.7Very high95.6Very high31 Ų3172.6 Ų72.615%0.15337%0.368CS..EExtended strand (participates in β ladder)trans-114.9142.8177.3-76.6-179.946.800111.3L200 R201 C202 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.38Å; M188-L200 HydrophobicContact CE-CD2 4.36Å; M188-R201 CarbonylContact C-O 3.54Å; M188-R201 VanDerWaalsContact CA-O 3.31Å; M188-R201 WeakPolarHBondContact CA-O 3.48Å; M188-C202 HydrophobicContact CG-CB 4.49Å; M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.45Å; M188-W216 HydrophobicContact CE-CZ3 4.27Å; M188-W216 HydrophobicContact SD-CH2 3.99Å; M188-L271 HydrophobicContact CG-CB 4.32Å; M188-L271 HydrophobicContact SD-CB 3.74Å; M188-W273 HydrophobicContact CE-CB 3.53Å
189T97.1Very high95.7Very high34 Ų3473.4 Ų73.421%0.20937%0.374CS..EExtended strand (participates in β ladder)trans-119.6142.6170.166.30000109.9H191 R201 W203T189-H191 WeakPolarHBondContact CB-NE2 3.25Å; T189-H191 PolarHBondContact OG1-NE2 2.97Å; T189-R201 PolarHBondContact N-O 2.85Å; T189-R201 PolarHBondContact O-N 3.46Å; T189-W203 PolarHBondContact OG1-NE1 2.84Å
190H96.8Very high96Very high52 Ų5268.8 Ų68.824%0.24135%0.352CS..EExtended strand (participates in β ladder)trans-118126.3178.7169.2-93.6000108.8A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H190-T199 WeakPolarHBondContact CA-O 3.43Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; H190-E253 IonicContact NE2-OE1 3.46Å; H190-W273 HydrophobicContact CB-CD2 4.26Å; H190-W273 HydrophobicContact CB-CG 4.32Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 AromaticContact CG-CE2 3.84Å; H190-W273 AromaticContact CG-CZ2 3.93Å; H190-W273 AromaticContact ND1-CZ2 3.97Å
191H95.9Very high96.3Very high76 Ų7665.2 Ų65.235%0.35234%0.339SS..EExtended strand (participates in β ladder)trans-128.9104.9-178.1-57-60.5000109.7T189 V193 A198 T199 R201T189-H191 WeakPolarHBondContact CB-NE2 3.25Å; T189-H191 PolarHBondContact OG1-NE2 2.97Å; H191-V193 PolarHBondContact O-N 3.1Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 WeakPolarHBondContact O-CA 3.4Å; H191-T199 PolarHBondContact N-O 3.19Å; H191-T199 PolarHBondContact O-N 3.28Å; H191-R201 PolarHBondContact CD2-NH1 3.06Å; H191-R201 VanDerWaalsContact CD2-NH1 3.29Å; H191-R201 PolarHBondContact NE2-NH1 3.24Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å
192P95Very high96.5Very high100 Ų10063.4 Ų63.465%0.64932%0.323SS*.EExtended strand (participates in β ladder)trans-57129.9172.1-22.132.3000110.6
193V93.9Very high96.6Very high92 Ų9262.9 Ų62.956%0.55832%0.319SS*.  trans-103.7-41176.9-179.60000110H191 E197 T199H191-V193 PolarHBondContact O-N 3.1Å; V193-E197 PolarHBondContact N-O 2.83Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.27Å
194S94.2Very high96.7Very high52 Ų5257.7 Ų57.736%0.36430%0.295SS..SBendtrans-147.1-178.4175.272.90000110.4H196 E197S194-H196 PolarHBondContact O-N 3.03Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.44Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.31Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 2.81Å
195D92Very high96.7Very high152 Ų15260.2 Ų60.281%0.81331%0.308SS*.SBendtrans-65.4-10172.6-65.8-20.4000113.3
196H94.5Very high96.7Very high144 Ų14454.1 Ų54.167%0.66729%0.287SS*.SBendtrans-117.9-14.2-175.4-55.5-44.3000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 3.03Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.44Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.6Å; H196-P249 WeakPolarHBondContact O-CA 3.4Å; H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.91Å
197E96.2Very high96.7Very high93 Ų9352.4 Ų52.444%0.43528%0.276SS..EExtended strand (participates in β ladder)trans-143.3145-170.6-67.3179.5165.400112.2V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.83Å; S194-E197 PolarHBondContact N-O 3.31Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 2.81Å; E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.08Å; E197-S250 PolarHBondContact N-OG 3.44Å
198A96.9Very high96.8Very high1 Ų149.2 Ų49.21%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-133.9155.2170.100000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.38Å; H191-A198 CarbonylContact O-C 3.51Å; H191-A198 WeakPolarHBondContact O-CA 3.4Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å; A198-V248 PolarHBondContact N-O 3Å; A198-V248 PolarHBondContact O-N 3.06Å
199T97.9Very high96.8Very high22 Ų2248.6 Ų48.614%0.13526%0.259CS..EExtended strand (participates in β ladder)trans-94.2121.9168.7-54.50000109.4H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.43Å; H191-T199 PolarHBondContact N-O 3.19Å; H191-T199 PolarHBondContact O-N 3.28Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.27Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.41Å
200L98.1Very high96.9Very high0 Ų047.8 Ų47.80%026%0.256CS..EExtended strand (participates in β ladder)trans-93.2126.3163.8-64.9-178.6000108.8M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.38Å; M188-L200 HydrophobicContact CE-CD2 4.36Å; H190-L200 HydrophobicContact CB-CD2 4.05Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CD1-CH2 4.1Å; L200-W216 HydrophobicContact CD1-CZ3 4.3Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.39Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 3.43Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.13Å; L200-E253 HydrophobicContact CD1-CG 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; L200-W273 HydrophobicContact CD2-CB 4.05Å; L200-W273 HydrophobicContact CD2-CG 4.12Å
201R98.4Very high96.9Very high52 Ų5252.2 Ų52.220%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-121.4122.5176.1-174.8178.4-64.5114.11.3110.3M188 T189 H191 W203 W243 A244 A245M188-R201 CarbonylContact C-O 3.54Å; M188-R201 VanDerWaalsContact CA-O 3.31Å; M188-R201 WeakPolarHBondContact CA-O 3.48Å; T189-R201 PolarHBondContact N-O 2.85Å; T189-R201 PolarHBondContact O-N 3.46Å; H191-R201 PolarHBondContact CD2-NH1 3.06Å; H191-R201 VanDerWaalsContact CD2-NH1 3.29Å; H191-R201 PolarHBondContact NE2-NH1 3.24Å; H191-R201 VanDerWaalsContact NE2-NH1 3.16Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.23Å; R201-A244 WeakPolarHBondContact CA-O 3.34Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.14Å
202C98.4Very high97.1Very high0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-95.3122.2174.3-174.70000109.4M188 W216 W243 A244 C258M188-C202 HydrophobicContact CG-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.22Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.37Å; C202-A244 PolarHBondContact N-O 2.66Å; C202-A244 PolarHBondContact O-N 2.89Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.2Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.4Å
203W98.6Very high97.2Very high46 Ų4647 Ų4717%0.17425%0.248CC..EExtended strand (participates in β ladder)trans-104.8141.5-179.9-70.389.1000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.19Å; H187-W203 WeakPolarHBondContact CE1-CB 3.42Å; H187-W203 AromaticContact CE1-CD1 3.91Å; H187-W203 AromaticContact CE1-CG 3.59Å; H187-W203 PolarHBondContact N-O 3.12Å; H187-W203 AromaticContact NE2-CD1 3.52Å; H187-W203 AromaticContact NE2-CG 3.68Å; H187-W203 PolarHBondContact O-N 3.49Å; T189-W203 PolarHBondContact OG1-NE1 2.84Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.44Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.18Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.55Å; W203-W243 HydrophobicContact CH2-CG 4.2Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.25Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å
204A98.7Very high97.4Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-124.3122.8162.600000108P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.81Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.82Å; A204-F207 WeakPolarHBondContact O-CE1 3.42Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 4Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.41Å; A204-K242 PolarHBondContact N-O 3.32Å; A204-K242 PolarHBondContact O-N 3.44Å; A204-K242 VanDerWaalsContact O-O 3.1Å
205L98.6Very high97.6Very high56 Ų5642.3 Ų42.329%0.29322%0.217SC..EExtended strand (participates in β ladder)trans-129.4149.2-176.2-59179.1000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.81Å; K185-L205 PolarHBondContact O-N 2.9Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.43Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 3.38Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å
206G98Very high97.9Very high18 Ų1835.1 Ų35.119%0.18618%0.179CC..EExtended strand (participates in β ladder)trans69.629.516800000113.9F240G206-F240 PolarHBondContact N-O 3.18Å
207F98.4Very high98.1Very high0 Ų030.2 Ų30.20%016%0.156CC..EExtended strand (participates in β ladder)trans-100.2152.6179.358.9-89.2000112.1E182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262E182-F207 WeakPolarHBondContact O-CA 3.25Å; E182-F207 WeakPolarHBondContact O-CB 3.46Å; P184-F207 HydrophobicContact CB-CB 3.92Å; P184-F207 HydrophobicContact CB-CD1 3.96Å; P184-F207 HydrophobicContact CB-CG 4.22Å; A204-F207 HydrophobicContact CB-CD1 4.05Å; A204-F207 HydrophobicContact CB-CE1 3.82Å; A204-F207 WeakPolarHBondContact O-CE1 3.42Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 3.38Å; F207-P209 WeakPolarHBondContact CD2-O 3.42Å; F207-I212 HydrophobicContact CD1-CD1 3.83Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.77Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; F207-T232 HydrophobicContact CE2-CG2 4Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.3Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.87Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.31Å; F207-F240 HydrophobicContact CE2-CB 3.43Å; F207-F240 VanDerWaalsContact CE2-CB 3.43Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.44Å; F207-F240 PolarHBondContact O-N 2.84Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.07Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å
208Y98.1Very high98Very high12 Ų1229.4 Ų29.45%0.04715%0.149CC..BIsolated β-bridgetrans-149.6135.9172.4175.3-83.8000108.1D29 T30 R180 A181 E182 G238 F240 H262D29-Y208 HydrophobicContact CB-CD2 4.47Å; D29-Y208 HydrophobicContact CB-CE2 3.79Å; T30-Y208 PolarHBondContact OG1-OH 3.28Å; R180-Y208 VanDerWaalsContact O-CD1 3.3Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å; A181-Y208 CarbonylContact C-O 3.58Å; A181-Y208 VanDerWaalsContact CA-O 3.31Å; A181-Y208 WeakPolarHBondContact CA-O 3.38Å; E182-Y208 PolarHBondContact N-O 3.33Å; E182-Y208 PolarHBondContact O-N 3.41Å; Y208-G238 WeakPolarHBondContact CD2-O 3.48Å; Y208-F240 HydrophobicContact CD2-CE2 4.02Å; Y208-H262 PolarHBondContact O-CE1 2.62Å
209P97.8Very high97.9Very high18 Ų1834.2 Ų34.212%0.11718%0.175CC..SBendcis-72.6179.31.431.8-38.8000112.7D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.37Å; F207-P209 WeakPolarHBondContact CD2-O 3.42Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.29Å; P209-H262 PolarHBondContact O-NE2 2.61Å; P209-E263 WeakPolarHBondContact CD-OE1 3.38Å; P209-E263 HydrophobicContact CG-CG 3.9Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å
210A97.9Very high97.6Very high18 Ų1835.5 Ų35.515%0.14919%0.192CC..SBendtrans-68.8-24.3-175.300000114D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.04Å; A210-I212 PolarHBondContact O-N 3.19Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.1Very high97.5Very high145 Ų14541.7 Ų41.768%0.67822%0.221SC*.  trans-65.1117.8-179.9-172.558.3-14400110.2P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 3.29Å; E211-H262 PolarHBondContact O-CD2 3.34Å
212I98.4Very high97.4Very high12 Ų1243.7 Ų43.76%0.06224%0.236CC..  trans-153.7143.4-178.6-163.3171.4000109.4P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.94Å; P184-I212 HydrophobicContact CG-CD1 4.05Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.83Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CD2-CG2 4.49Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.45Å; F207-I212 HydrophobicContact CE2-CB 3.77Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.94Å; F207-I212 HydrophobicContact CZ-CB 4.16Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.56Å; A210-I212 PolarHBondContact O-N 3.19Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.04Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; I212-H262 HydrophobicContact CD1-CB 4.41Å; I212-H262 HydrophobicContact CG1-CB 4.15Å
213T98.4Very high97.2Very high55 Ų5545.1 Ų45.134%0.33724%0.243SC..EExtended strand (participates in β ladder)trans-113.7123.9172.9-610000109.8T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.97Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; T213-Q261 PolarHBondContact N-O 2.95Å; T213-Q261 PolarHBondContact O-N 3.29Å
214L98.3Very high96.9Very high7 Ų748 Ų484%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-118.7120.3171.8-85.662.9000108A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.61Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.04Å; L214-L229 HydrophobicContact CB-CD1 4.22Å; L214-K242 HydrophobicContact CD1-CD 4.23Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; L214-H259 WeakPolarHBondContact CA-O 3.31Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.1Very high96.6Very high37 Ų3757.1 Ų57.123%0.22731%0.308CS..EExtended strand (participates in β ladder)trans-130.4147.9176.655.20000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.97Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; T215-H259 PolarHBondContact N-O 3.45Å; T215-H259 PolarHBondContact O-N 2.86Å
216W98.2Very high96.3Very high1 Ų159.9 Ų59.90%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-102.7138.5169.4-82.7105.2000110M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.51Å; M188-W216 HydrophobicContact CE-CZ2 4.45Å; M188-W216 HydrophobicContact CE-CZ3 4.27Å; M188-W216 HydrophobicContact SD-CH2 3.99Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CD1-CH2 4.1Å; L200-W216 HydrophobicContact CD1-CZ3 4.3Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; W216-Q223 HydrophobicContact CB-CB 4.22Å; W216-Q223 PolarHBondContact O-N 3.1Å; W216-A244 PolarHBondContact NE1-O 3.07Å; W216-V246 HydrophobicContact CB-CG1 3.73Å; W216-V246 HydrophobicContact CD2-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG2 3.64Å; W216-V246 HydrophobicContact CE3-CG2 4.01Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.88Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.44Å; W216-T257 WeakPolarHBondContact CA-O 3.14Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; W216-C258 HydrophobicContact CD2-CB 4.23Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.04Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å
217Q97.9Very high96.2Very high41 Ų4160.1 Ų60.119%0.19232%0.321CS..EExtended strand (participates in β ladder)trans-123.1145.5172-69.8-174.9-9.800110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.5Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.43Å; Q217-D222 PolarHBondContact NE2-OD1 3.43Å; Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.45Å; Q217-T257 PolarHBondContact N-O 2.95Å; Q217-T257 PolarHBondContact O-N 3.08Å; Q217-H259 PolarHBondContact OE1-CE1 2.72Å; Q217-H259 PolarHBondContact OE1-NE2 2.91Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å
218W95.9Very high96.2Very high76 Ų7665.6 Ų65.629%0.28835%0.347SS..EExtended strand (participates in β ladder)trans-117.7116.5169.2175.475.4000108.2G220 E221 Q223 R255 Y256W218-G220 PolarHBondContact O-N 2.88Å; W218-E221 PolarHBondContact N-O 3.06Å; W218-E221 PolarHBondContact O-N 3.24Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; W218-R255 VanDerWaalsContact CE2-NH2 3.25Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.28Å; W218-Y256 HydrophobicContact CB-CD1 4.16Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CE1 3.94Å; W218-Y256 AromaticContact CD1-CE2 3.55Å; W218-Y256 AromaticContact CD1-CZ 3.51Å; W218-Y256 HydrophobicContact CG-CE1 4.21Å
219D93.8Very high96.2Very high103 Ų10369.2 Ų69.255%0.55137%0.366SS*.THydrogen-bonded Turntrans48.431.2-172.3-68.8-17.6000114.3R255D219-R255 PolarHBondContact N-O 3.31Å; D219-R255 VanDerWaalsContact N-O 3.11Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 IonicContact OD2-CZ 3.89Å; D219-R255 VanDerWaalsContact OD2-CZ 3.23Å; D219-R255 IonicContact OD2-NE 2.8Å; D219-R255 PolarHBondContact OD2-NE 3.03Å; D219-R255 IonicContact OD2-NH2 3.65Å; D219-R255 PolarHBondContact OD2-NH2 3.22Å
220G91.4Very high96.2Very high49 Ų4969.9 Ų69.951%0.50537%0.37SS..THydrogen-bonded Turntrans92.3-1.3-179.800000115.4W218W218-G220 PolarHBondContact O-N 2.88Å
221E95.8Very high96.2Very high130 Ų13077.1 Ų77.161%0.60740%0.401SS*.EExtended strand (participates in β ladder)trans-97.6127.3177-63-170.2171.700112Q217 W218 Q223Q217-E221 CarbonylContact C-O 3.54Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.5Å; W218-E221 PolarHBondContact N-O 3.06Å; W218-E221 PolarHBondContact O-N 3.24Å; E221-Q223 PolarHBondContact O-N 2.99Å; E221-Q223 PolarHBondContact O-NE2 3.44Å
222D96.2Very high96.2Very high93 Ų9372.3 Ų72.350%0.49738%0.381SS..EExtended strand (participates in β ladder)trans-62.4131.1-178.6-71.9-19.7000112.7Q217 T224Q217-D222 WeakPolarHBondContact CG-OD1 3.43Å; Q217-D222 PolarHBondContact NE2-OD1 3.43Å; D222-T224 PolarHBondContact O-N 3.14Å
223Q95.4Very high96.2Very high31 Ų3176.3 Ų76.315%0.14540%0.395CS..  trans-101.441.7-176.8-59.1-59.4-63.900112.2W216 W218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.22Å; W216-Q223 PolarHBondContact O-N 3.1Å; W218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-N 2.99Å; E221-Q223 PolarHBondContact O-NE2 3.44Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.04Å; Q223-D226 PolarHBondContact O-N 3.38Å; Q223-T227 WeakPolarHBondContact O-CB 3.24Å; Q223-T227 PolarHBondContact O-N 2.95Å; Q223-T227 PolarHBondContact O-OG1 3.35Å; Q223-V246 HydrophobicContact CB-CG1 4.46Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å
224T91.8Very high96.1Very high106 Ų10678.1 Ų78.165%0.6541%0.408SS*.THydrogen-bonded Turntrans-60.7-34.9-170-48.60000113.9D222D222-T224 PolarHBondContact O-N 3.14Å
225Q92.6Very high96.1Very high191 Ų19180.1 Ų80.189%0.89343%0.426SS*.THydrogen-bonded Turntrans-75.3-31.6-178.7-66.5-173.5-2.100112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.04Å
226D91.5Very high96Very high114 Ų11482 Ų8261%0.6145%0.453SS*.THydrogen-bonded Turntrans-96.3-2.1-176.5-55.2-62.2000112.7Q223Q223-D226 PolarHBondContact O-N 3.38Å
227T96.6Very high95.8Very high24 Ų2487.6 Ų87.615%0.14748%0.483CS..  trans-88.6119.3178.4-630000111Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.24Å; Q223-T227 PolarHBondContact O-N 2.95Å; Q223-T227 PolarHBondContact O-OG1 3.35Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 2.99Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; T227-A245 CarbonylContact C-O 3.59Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.47Å
228E97.7Very high95.6Very high115 Ų11588 Ų8854%0.53750%0.498SS..EExtended strand (participates in β ladder)trans-75.4109.1161.9-172.7-174.7-171.500109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.19Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.4Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.21Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.49Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.35Å; E228-A245 PolarHBondContact O-N 3.17Å
229L97.8Very high95.7Very high88 Ų8884.8 Ų84.846%0.46149%0.487SS..EExtended strand (participates in β ladder)trans-115.7118.8-179.9-172.268.7000110.3L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.22Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 2.99Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V97.8Very high95.9Very high31 Ų3181.2 Ų81.219%0.18847%0.466CS..PPolyproline II helixtrans-82.2153.7175.3-65.30000112.3K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 PolarHBondContact O-NZ 3.45Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.61Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.79Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.33Å; V230-W243 PolarHBondContact N-O 2.92Å
231E97.8Very high96.3Very high171 Ų17181 Ų8180%0.79945%0.452SS*.PPolyproline II helixtrans-56.2145.4166.9-68.3-174.1173.300111R233E231-R233 PolarHBondContact O-N 3.48Å
232T98.5Very high96.4Very high44 Ų4475.9 Ų75.927%0.2743%0.428SS..PPolyproline II helixtrans-66.2128.8172.4-56.90000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; T232-K242 WeakPolarHBondContact OG1-CD 3.34Å; T232-K242 PolarHBondContact OG1-NZ 3.02Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
233R98.3Very high96.5Very high95 Ų9572.7 Ų72.736%0.35841%0.409SS..EExtended strand (participates in β ladder)trans-127.1145-173.567.9-169.5-177.5-168.51.6111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.48Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.25Å; R233-Q241 WeakPolarHBondContact O-CG 3.43Å; R233-Q241 PolarHBondContact O-N 2.98Å
234P97.9Very high96.7Very high93 Ų9371.2 Ų71.260%0.60440%0.402SS*.EExtended strand (participates in β ladder)trans-68.8144.4179.228.7-34.7000111.1F240P234-F240 HydrophobicContact CB-CE1 4.37Å
235A97.6Very high97Very high50 Ų5066.3 Ų66.341%0.41337%0.372SS..  trans-87.4-18.2172.900000112.7T239A235-T239 WeakPolarHBondContact CB-OG1 3.35Å; A235-T239 PolarHBondContact N-O 2.9Å
236G95.4Very high97.2Very high76 Ų7657.4 Ų57.478%0.78433%0.331SS*.SBendtrans95.4-5.8179.100000114.7
237D94.6Very high97.5Very high119 Ų11955.9 Ų55.964%0.63633%0.325SS*.SBendtrans-105.611176.861.23000113.3T239D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 2.81Å; D237-T239 PolarHBondContact OD1-OG1 3.25Å
238G93.6Very high97.5Very high50 Ų5054.8 Ų54.852%0.51532%0.319SS..SBendtrans94.9-8-173.700000113.9Y208Y208-G238 WeakPolarHBondContact CD2-O 3.48Å
239T97.8Very high97.5Very high8 Ų851.7 Ų51.75%0.04931%0.309CS..  trans-101.8174176.873.80000112.8F207 A235 D237F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.3Å; A235-T239 WeakPolarHBondContact CB-OG1 3.35Å; A235-T239 PolarHBondContact N-O 2.9Å; D237-T239 WeakPolarHBondContact OD1-CB 3.48Å; D237-T239 PolarHBondContact OD1-N 2.81Å; D237-T239 PolarHBondContact OD1-OG1 3.25Å
240F98.6Very high97.3Very high28 Ų2850.3 Ų50.312%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-121.8162.3-178.4-63.8-86.8000112.1D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 3.18Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.37Å; F207-F240 HydrophobicContact CD2-CB 3.87Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.31Å; F207-F240 HydrophobicContact CE2-CB 3.43Å; F207-F240 VanDerWaalsContact CE2-CB 3.43Å; F207-F240 HydrophobicContact CE2-CG 4.42Å; F207-F240 HydrophobicContact CG-CB 4.43Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.44Å; F207-F240 PolarHBondContact O-N 2.84Å; Y208-F240 HydrophobicContact CD2-CE2 4.02Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.15Å; R233-F240 WeakPolarHBondContact O-CA 3.43Å; P234-F240 HydrophobicContact CB-CE1 4.37Å
241Q98.6Very high97.1Very high45 Ų4552 Ų5221%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-140.2147.1173.946.7168.5-23.900110.3A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.31Å; A204-Q241 WeakPolarHBondContact O-CA 3.41Å; L205-Q241 HydrophobicContact CD2-CB 3.53Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.25Å; R233-Q241 WeakPolarHBondContact O-CG 3.43Å; R233-Q241 PolarHBondContact O-N 2.98Å
242K98.7Very high97Very high22 Ų2246.9 Ų46.910%0.09631%0.306CS..EExtended strand (participates in β ladder)trans-151.3154.5176.8-162.4-176.4-171.969.30109A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 3.32Å; A204-K242 PolarHBondContact O-N 3.44Å; A204-K242 VanDerWaalsContact O-O 3.1Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.07Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.23Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L229-K242 HydrophobicContact CD1-CD 4.46Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 PolarHBondContact O-NZ 3.45Å; T232-K242 WeakPolarHBondContact OG1-CD 3.34Å; T232-K242 PolarHBondContact OG1-NZ 3.02Å; T232-K242 VanDerWaalsContact OG1-NZ 3.16Å
243W98.6Very high96.9Very high25 Ų2545.8 Ų45.810%0.09530%0.298CS..EExtended strand (participates in β ladder)trans-142.8156.2168.159.4-98.6000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.94Å; R201-W243 HydrophobicContact CG-CG 4.23Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.22Å; C202-W243 VanDerWaalsContact O-CB 3.25Å; C202-W243 WeakPolarHBondContact O-CB 3.37Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.18Å; W203-W243 HydrophobicContact CG-CB 4.36Å; W203-W243 AromaticContact CH2-CD1 3.55Å; W203-W243 HydrophobicContact CH2-CG 4.2Å; W203-W243 HydrophobicContact CZ2-CG 4.45Å; W203-W243 HydrophobicContact CZ3-CB 4.25Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å; E228-W243 HydrophobicContact CB-CZ3 4.19Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.4Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.21Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.96Å; V230-W243 HydrophobicContact CG1-CE3 4.32Å; V230-W243 HydrophobicContact CG1-CH2 3.61Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.15Å; V230-W243 HydrophobicContact CG2-CD2 3.79Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.33Å; V230-W243 PolarHBondContact N-O 2.92Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
244A98.4Very high96.7Very high0 Ų046.3 Ų46.30%031%0.305CS..EExtended strand (participates in β ladder)trans-128.9133.5173.800000108.4R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.34Å; C202-A244 PolarHBondContact N-O 2.66Å; C202-A244 PolarHBondContact O-N 2.89Å; L214-A244 HydrophobicContact CB-CB 4.02Å; L214-A244 HydrophobicContact CD2-CB 4.31Å; W216-A244 PolarHBondContact NE1-O 3.07Å; T227-A244 HydrophobicContact CG2-CB 3.89Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.49Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A98.3Very high96.6Very high3 Ų345.9 Ų45.93%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-128.2146.7179.800000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.39Å; R201-A245 HydrophobicContact CB-CB 4.09Å; R201-A245 HydrophobicContact CG-CB 4.14Å; T227-A245 CarbonylContact C-O 3.59Å; T227-A245 WeakPolarHBondContact CA-O 3.41Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 3.35Å; E228-A245 PolarHBondContact O-N 3.17Å; W243-A245 HydrophobicContact CE3-CB 3.94Å; W243-A245 HydrophobicContact CZ3-CB 3.67Å
246V97.9Very high96.6Very high5 Ų544.4 Ų44.43%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-130.7145173.1-73.50000108.9T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.41Å; L200-V246 HydrophobicContact CB-CG2 4.21Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 3.43Å; W216-V246 HydrophobicContact CB-CG1 3.73Å; W216-V246 HydrophobicContact CD2-CG1 4.3Å; W216-V246 HydrophobicContact CD2-CG2 3.64Å; W216-V246 HydrophobicContact CE3-CG2 4.01Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.88Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.44Å; Q223-V246 HydrophobicContact CB-CG1 4.46Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.47Å; V246-V248 HydrophobicContact CB-CG1 4.31Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å
247V97.6Very high96.7Very high81 Ų8141.2 Ų41.249%0.49124%0.24SC..EExtended strand (participates in β ladder)trans-87.4127.7167.3-178.20000107.4E197 A198E197-V247 HydrophobicContact CB-CG1 4.03Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å
248V96.8Very high96.9Very high1 Ų135.5 Ų35.51%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-126.6146.5-174.7-52.80000110.5E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.32Å; E197-V248 WeakPolarHBondContact CA-O 3.08Å; A198-V248 PolarHBondContact N-O 3Å; A198-V248 PolarHBondContact O-N 3.06Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.31Å; V246-V248 HydrophobicContact CG2-CG1 3.71Å; V248-E253 HydrophobicContact CG2-CG 4.04Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CD1 3.81Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.72Å; V248-Y256 HydrophobicContact CG1-CE2 3.47Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å
249P96.7Very high97.1Very high51 Ų5134.8 Ų34.833%0.33119%0.193SC..EExtended strand (participates in β ladder)trans-62.9139.8170.6-19.832.1000111.3H196 G251 E252H196-P249 CarbonylContact O-C 3.6Å; H196-P249 WeakPolarHBondContact O-CA 3.4Å; P249-G251 PolarHBondContact O-N 2.76Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.14Å; P249-E252 PolarHBondContact O-N 3.38Å; P249-E252 VanDerWaalsContact O-N 3.08Å
250S94.3Very high97.2Very high59 Ų5934.4 Ų34.441%0.41319%0.19SC..THydrogen-bonded Turntrans-60.3127.8175.4-63.20000111.1H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.25Å; H196-S250 PolarHBondContact O-N 2.91Å; E197-S250 PolarHBondContact N-OG 3.44Å; S250-E253 WeakPolarHBondContact CA-OE1 3.49Å
251G93.8Very high97.2Very high67 Ų6738 Ų3869%0.69121%0.208SC*.THydrogen-bonded Turntrans92.7-7.9-176.100000114.8P249 E253P249-G251 PolarHBondContact O-N 2.76Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 2.82Å; G251-E253 PolarHBondContact N-OE2 3.46Å
252E95.8Very high97.2Very high62 Ų6236.7 Ų36.729%0.2920%0.201SC..  trans-100.44.6175.9-65.3-159.9-156.200113.6P249 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.14Å; P249-E252 PolarHBondContact O-N 3.38Å; P249-E252 VanDerWaalsContact O-N 3.08Å; E252-Q254 PolarHBondContact O-N 2.88Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.69Å; E252-R255 IonicContact OE1-NH1 2.98Å; E252-R255 IonicContact OE2-CZ 3.23Å; E252-R255 IonicContact OE2-NH1 2.65Å; E252-R255 PolarHBondContact OE2-NH1 3.37Å; E252-Y256 HydrophobicContact CB-CE2 4.36Å; E252-Y256 WeakPolarHBondContact O-CD2 3.38Å
253E95.1Very high97.1Very high21 Ų2141.8 Ų41.810%0.09823%0.226CC..G310 helixtrans-56.6-34.2-171.1-58.882.3179.200112.7H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.46Å; L200-E253 HydrophobicContact CD1-CB 4.13Å; L200-E253 HydrophobicContact CD1-CG 4.48Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; V248-E253 HydrophobicContact CG2-CG 4.04Å; S250-E253 WeakPolarHBondContact CA-OE1 3.49Å; G251-E253 WeakPolarHBondContact CA-OE2 3.49Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 2.82Å; G251-E253 PolarHBondContact N-OE2 3.46Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.6Å; E253-Y256 PolarHBondContact O-N 3.24Å; E253-W273 HydrophobicContact CB-CE3 3.63Å; E253-W273 HydrophobicContact CB-CZ3 4.22Å; E253-W273 HydrophobicContact CG-CE3 3.85Å; E253-W273 HydrophobicContact CG-CZ3 4.09Å
254Q94.9Very high96.9Very high107 Ų10741.7 Ų41.750%0.523%0.232SC..G310 helixtrans-70.9-16.9-179.2-65.6-59.3-46.300114.3E252 Y256 W273E252-Q254 PolarHBondContact O-N 2.88Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å; Q254-W273 PolarHBondContact NE2-O 3.12Å
255R96.4Very high96.8Very high83 Ų8342.9 Ų42.931%0.31324%0.238SC..G310 helixtrans-78.6-18175.5-61.1177.570.1-169.53.6112W218 D219 E252 E253W218-R255 VanDerWaalsContact CE2-NH2 3.25Å; W218-R255 VanDerWaalsContact CZ2-NH1 3.28Å; D219-R255 PolarHBondContact N-O 3.31Å; D219-R255 VanDerWaalsContact N-O 3.11Å; D219-R255 IonicContact OD1-NE 3.84Å; D219-R255 IonicContact OD2-CZ 3.89Å; D219-R255 VanDerWaalsContact OD2-CZ 3.23Å; D219-R255 IonicContact OD2-NE 2.8Å; D219-R255 PolarHBondContact OD2-NE 3.03Å; D219-R255 IonicContact OD2-NH2 3.65Å; D219-R255 PolarHBondContact OD2-NH2 3.22Å; E252-R255 WeakPolarHBondContact O-CB 3.47Å; E252-R255 PolarHBondContact O-N 2.69Å; E252-R255 IonicContact OE1-NH1 2.98Å; E252-R255 IonicContact OE2-CZ 3.23Å; E252-R255 IonicContact OE2-NH1 2.65Å; E252-R255 PolarHBondContact OE2-NH1 3.37Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.6Å
256Y97.4Very high96.7Very high20 Ų2049 Ų498%0.07828%0.278CS..EExtended strand (participates in β ladder)trans-92.7129.6-179.5-69.1-94.2000111.2Q217 W218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.45Å; W218-Y256 HydrophobicContact CB-CD1 4.16Å; W218-Y256 HydrophobicContact CB-CE1 3.91Å; W218-Y256 AromaticContact CD1-CE1 3.94Å; W218-Y256 AromaticContact CD1-CE2 3.55Å; W218-Y256 AromaticContact CD1-CZ 3.51Å; W218-Y256 HydrophobicContact CG-CE1 4.21Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CD1 3.81Å; V248-Y256 HydrophobicContact CG1-CD2 3.56Å; V248-Y256 HydrophobicContact CG1-CE1 3.72Å; V248-Y256 HydrophobicContact CG1-CE2 3.47Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å; E252-Y256 HydrophobicContact CB-CE2 4.36Å; E252-Y256 WeakPolarHBondContact O-CD2 3.38Å; E253-Y256 PolarHBondContact O-N 3.24Å; Q254-Y256 VanDerWaalsContact C-N 3.28Å
257T97.9Very high96.7Very high8 Ų856 Ų565%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-121.6133.3173.445.60000111.1W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.14Å; W216-T257 VanDerWaalsContact CE3-O 3.3Å; Q217-T257 PolarHBondContact N-O 2.95Å; Q217-T257 PolarHBondContact O-N 3.08Å; T257-H259 WeakPolarHBondContact CB-NE2 3.29Å; T257-H259 PolarHBondContact OG1-NE2 3.15Å; T257-T270 HydrophobicContact CG2-CG2 3.79Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.19Å; T257-R272 HydrophobicContact CG2-CG 3.53Å
258C98.3Very high96.7Very high0 Ų056.1 Ų56.10%031%0.312CS..EExtended strand (participates in β ladder)trans-91.4130.3167.1175.60000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.37Å; C202-C258 WeakPolarHBondContact SG-CB 3.2Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.4Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; W216-C258 HydrophobicContact CD2-CB 4.23Å; W216-C258 HydrophobicContact CE3-CB 4.16Å; W216-C258 HydrophobicContact CH2-CB 4.04Å; W216-C258 HydrophobicContact CZ2-CB 4.1Å; W216-C258 HydrophobicContact CZ3-CB 4.06Å; C258-T270 CarbonylContact O-C 3.51Å; C258-T270 WeakPolarHBondContact O-CA 3.46Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 HydrophobicContact CB-CD1 4.47Å; C258-L271 PolarHBondContact N-O 3.33Å; C258-L271 PolarHBondContact O-N 3.31Å
259H98.2Very high96.7Very high34 Ų3458.9 Ų58.916%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-109.8131.6175.8-65-106.4000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.31Å; T215-H259 PolarHBondContact N-O 3.45Å; T215-H259 PolarHBondContact O-N 2.86Å; Q217-H259 PolarHBondContact OE1-CE1 2.72Å; Q217-H259 PolarHBondContact OE1-NE2 2.91Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.11Å; T257-H259 WeakPolarHBondContact CB-NE2 3.29Å; T257-H259 PolarHBondContact OG1-NE2 3.15Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.42Å; H259-T270 PolarHBondContact CE1-OG1 2.9Å; H259-T270 PolarHBondContact ND1-OG1 3.22Å
260V98.5Very high96.8Very high0 Ų060.4 Ų60.40%034%0.336CS..EExtended strand (participates in β ladder)trans-125.1122.3-177.7-174.60000109.5P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.84Å; T186-V260 HydrophobicContact CG2-CB 4.29Å; T186-V260 HydrophobicContact CG2-CG1 4.04Å; T186-V260 HydrophobicContact CG2-CG2 3.95Å; I212-V260 HydrophobicContact CD1-CG1 4.05Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.28Å; V260-P268 WeakPolarHBondContact O-CA 3.39Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 2.69Å; V260-L269 PolarHBondContact O-N 2.74Å; V260-L271 HydrophobicContact CG2-CD1 3.68Å
261Q98.4Very high96.8Very high105 Ų10559.1 Ų59.149%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-119.4130.4174.2-56.2-179.77.800109.8I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; T213-Q261 PolarHBondContact N-O 2.95Å; T213-Q261 PolarHBondContact O-N 3.29Å; Q261-P268 HydrophobicContact CG-CB 4.03Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
262H98.4Very high96.8Very high16 Ų1663.4 Ų63.47%0.07432%0.319CS..  trans-154.8146.4179.9-174.6-94.5000108.8E182 P184 F207 Y208 P209 E211 I212 G264 L265E182-H262 PolarHBondContact O-CE1 3.14Å; P184-H262 HydrophobicContact CG-CB 4.02Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.81Å; Y208-H262 PolarHBondContact O-CE1 2.62Å; P209-H262 PolarHBondContact O-NE2 2.61Å; E211-H262 PolarHBondContact O-CD2 3.34Å; I212-H262 HydrophobicContact CD1-CB 4.41Å; I212-H262 HydrophobicContact CG1-CB 4.15Å; H262-G264 PolarHBondContact ND1-N 2.78Å; H262-G264 PolarHBondContact O-N 3.46Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.14Å; H262-L265 PolarHBondContact O-N 3.31Å
263E96.3Very high96.5Very high130 Ų13067.6 Ų67.661%0.60733%0.332SS*.THydrogen-bonded Turntrans-65.8-21.5-177.366.8159.2-17200114.2A181 P209 L265A181-E263 HydrophobicContact CB-CG 4.04Å; P209-E263 WeakPolarHBondContact CD-OE1 3.38Å; P209-E263 HydrophobicContact CG-CG 3.9Å; P209-E263 WeakPolarHBondContact CG-OE1 3.48Å; E263-L265 PolarHBondContact O-N 3.21Å
264G95.2Very high96.6Very high22 Ų2269.9 Ų69.923%0.22734%0.344CS..THydrogen-bonded Turntrans-77.4-8.7174.700000113.7H262H262-G264 PolarHBondContact ND1-N 2.78Å; H262-G264 PolarHBondContact O-N 3.46Å
265L97.4Very high96.7Very high25 Ų2567.9 Ų67.913%0.13134%0.336CS..  trans-93.3131.9175.8-66.9169.5000110.3H183 P184 V260 H262 E263 E267 L269H183-L265 HydrophobicContact CB-CD2 3.89Å; H183-L265 HydrophobicContact CB-CG 4.39Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CG 4.26Å; V260-L265 HydrophobicContact CG1-CD1 4.28Å; H262-L265 HydrophobicContact CB-CD1 3.99Å; H262-L265 HydrophobicContact CB-CG 4.2Å; H262-L265 WeakPolarHBondContact O-CB 3.14Å; H262-L265 PolarHBondContact O-N 3.31Å; E263-L265 PolarHBondContact O-N 3.21Å; L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 WeakPolarHBondContact CB-O 3.28Å; L265-E267 PolarHBondContact O-N 3.32Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.74Å; L265-L269 HydrophobicContact CD2-CD2 4.43Å; L265-L269 HydrophobicContact CD2-CG 3.95Å
266P96Very high96.7Very high131 Ų13167.1 Ų67.185%0.85134%0.337SS*.SBendtrans-66.9-32.217527.6-33.7000112.1
267E96.8Very high96.7Very high153 Ų15369.9 Ų69.972%0.71535%0.352SS*.SBendtrans-142.5150.9175.7-64.2-176.6179.600109.3L265L265-E267 VanDerWaalsContact C-N 3.27Å; L265-E267 WeakPolarHBondContact CB-O 3.28Å; L265-E267 PolarHBondContact O-N 3.32Å
268P97.4Very high96.6Very high83 Ų8373.8 Ų73.854%0.53937%0.371SS..  trans-54.5142.1173.9-26.636000112.6V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.39Å; Q261-P268 HydrophobicContact CG-CB 4.03Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
269L97.7Very high96.5Very high60 Ų6078.7 Ų78.731%0.31440%0.396SS..EExtended strand (participates in β ladder)trans-91.8142.6174.6-61.1177.2000110.5T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.16Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.42Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 2.69Å; V260-L269 PolarHBondContact O-N 2.74Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.74Å; L265-L269 HydrophobicContact CD2-CD2 4.43Å; L265-L269 HydrophobicContact CD2-CG 3.95Å; L269-L271 HydrophobicContact CB-CD1 4.36Å
270T97.6Very high96.3Very high83 Ų8381.9 Ų81.951%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-120.3120.6168.9-60.50000108.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.79Å; C258-T270 CarbonylContact O-C 3.51Å; C258-T270 WeakPolarHBondContact O-CA 3.46Å; H259-T270 PolarHBondContact CE1-OG1 2.9Å; H259-T270 PolarHBondContact ND1-OG1 3.22Å
271L96.2Very high96.2Very high31 Ų3188.2 Ų88.216%0.16245%0.445CS..EExtended strand (participates in β ladder)trans-113.5145.4-178.3-58.1113.7000110.6T186 M188 T257 C258 V260 L269T186-L271 HydrophobicContact CG2-CD1 4.32Å; M188-L271 HydrophobicContact CG-CB 4.32Å; M188-L271 HydrophobicContact SD-CB 3.74Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.19Å; C258-L271 HydrophobicContact CB-CB 4.31Å; C258-L271 HydrophobicContact CB-CD1 4.47Å; C258-L271 PolarHBondContact N-O 3.33Å; C258-L271 PolarHBondContact O-N 3.31Å; V260-L271 HydrophobicContact CG2-CD1 3.68Å; L269-L271 HydrophobicContact CB-CD1 4.36Å
272R93.9Very high96Very high157 Ų15786.8 Ų86.859%0.59244%0.441SS*.  trans-129.8160168.9-68.5-174.7177.3152.31.3108.8T257T257-R272 HydrophobicContact CG2-CG 3.53Å
273W89Confident95.8Very high150 Ų15093.2 Ų93.257%0.56847%0.474SS*.  trans-72.20174.6-178.754.4000111.2M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CE-CB 3.53Å; H190-W273 HydrophobicContact CB-CD2 4.26Å; H190-W273 HydrophobicContact CB-CG 4.32Å; H190-W273 HydrophobicContact CB-CZ2 4.17Å; H190-W273 AromaticContact CG-CE2 3.84Å; H190-W273 AromaticContact CG-CZ2 3.93Å; H190-W273 AromaticContact ND1-CZ2 3.97Å; L200-W273 HydrophobicContact CD2-CB 4.05Å; L200-W273 HydrophobicContact CD2-CG 4.12Å; E253-W273 HydrophobicContact CB-CE3 3.63Å; E253-W273 HydrophobicContact CB-CZ3 4.22Å; E253-W273 HydrophobicContact CG-CE3 3.85Å; E253-W273 HydrophobicContact CG-CZ3 4.09Å; Q254-W273 PolarHBondContact NE2-O 3.12Å

Retrieved 273 of 273 residues in 167.5 ms (Link to these results)

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