A0A060VG36_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VG36, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S93.1Very high97.9Very high108 Ų10836.2 Ų36.276%0.75520%0.202SC*.  0158.5041.20000107.5V102S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å
2H96.8Very high97.9Very high33 Ų3334.6 Ų34.615%0.15320%0.195CC..EExtended strand (participates in β ladder)trans-136160.6179.8-63.7-78.4000111.2D28 D101 V102 L171H2-D28 WeakPolarHBondContact CA-OD1 3.29Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 2.73Å; H2-D28 IonicContact ND1-OD2 3.51Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.32Å; H2-V102 PolarHBondContact O-N 3.2Å; H2-L171 HydrophobicContact CB-CD1 3.41Å; H2-L171 VanDerWaalsContact CB-CD1 3.41Å; H2-L171 HydrophobicContact CB-CD2 4.23Å; H2-L171 HydrophobicContact CB-CG 4.47Å
3S97.9Very high97.8Very high22 Ų2237.1 Ų37.115%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-138150.5179.966.10000112V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.49Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.33Å; S3-D28 PolarHBondContact N-OD1 2.9Å; S3-D28 PolarHBondContact O-N 2.94Å; S3-D28 PolarHBondContact OG-OD1 3.4Å; S3-C100 WeakPolarHBondContact CA-O 3.41Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å
4M98.6Very high97.4Very high0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-122123.5166.5-172.7172.156.100108.6Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.04Å; M4-Y6 HydrophobicContact CG-CE2 3.97Å; M4-Y6 HydrophobicContact SD-CE2 3.85Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.41Å; M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; M4-G99 CarbonylContact O-C 3.44Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; M4-C100 PolarHBondContact N-O 3.43Å; M4-C100 PolarHBondContact O-N 3.2Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.36Å; M4-L167 HydrophobicContact CB-CB 4.15Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5R98.6Very high97Very high47 Ų4741.7 Ų41.718%0.17726%0.258CS..EExtended strand (participates in β ladder)trans-131.2135.1-177.8-55.7-62.5179.376.36.1111.1F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; R5-Y26 PolarHBondContact N-O 3.02Å; R5-Y26 PolarHBondContact O-N 2.87Å; R5-D101 IonicContact CZ-OD1 3.96Å; R5-D101 IonicContact NE-OD1 3.57Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 VanDerWaalsContact NH2-CG 3.25Å; R5-D101 IonicContact NH2-OD1 3.57Å; R5-D101 PolarHBondContact NH2-OD1 2.88Å; R5-D101 IonicContact NH2-OD2 3.39Å; R5-D101 PolarHBondContact NH2-OD2 3.49Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 PolarHBondContact NH2-OH 3.18Å
6Y98.8Very high96.7Very high8 Ų852.7 Ų52.73%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-113.3137.1170.7-66.8-89.5000109.8M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.04Å; M4-Y6 HydrophobicContact CG-CE2 3.97Å; M4-Y6 HydrophobicContact SD-CE2 3.85Å; Y6-F8 HydrophobicContact CD1-CE1 4.38Å; Y6-V24 CarbonylContact C-O 3.6Å; Y6-V24 WeakPolarHBondContact CA-O 3.44Å; Y6-F32 AromaticContact CE1-CZ 3.84Å; Y6-F32 HydrophobicContact CE1-CZ 3.84Å; Y6-F32 AromaticContact CZ-CZ 3.72Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; Y6-V33 HydrophobicContact CE1-CG2 4Å; Y6-M97 WeakPolarHBondContact O-CA 3.42Å; Y6-Y98 HydrophobicContact CD2-CD2 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.63Å; Y6-Y98 HydrophobicContact CD2-CE2 3.63Å; Y6-Y98 AromaticContact CD2-CZ 3.73Å; Y6-Y98 HydrophobicContact CE2-CE2 4.37Å; Y6-Y98 HydrophobicContact CG-CE1 4.28Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.27Å; Y6-Y98 PolarHBondContact O-N 3.19Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å
7F98.8Very high96.4Very high84 Ų8453.2 Ų53.237%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-124.2118.7178.6-56.9-97.1000109.3R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; F7-A23 WeakPolarHBondContact O-CA 3.49Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.48Å; F7-V24 PolarHBondContact O-N 2.98Å; F7-Y26 HydrophobicContact CD2-CD2 4.12Å; F7-Y26 HydrophobicContact CE2-CD2 4.14Å; F7-R96 WeakPolarHBondContact CA-O 3.37Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.07Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.95Å
8F98.7Very high96.3Very high5 Ų555.9 Ų55.92%0.02232%0.322CS..EExtended strand (participates in β ladder)trans-113.8132.3178.1-58.4-13.3000109.3Y6 F21 I22 A23 H69 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.38Å; F8-F21 HydrophobicContact CB-CE2 3.89Å; F8-F21 HydrophobicContact CB-CZ 3.77Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 HydrophobicContact CD2-CE2 4.48Å; F8-F21 AromaticContact CD2-CZ 3.9Å; F8-F21 HydrophobicContact CD2-CZ 3.9Å; F8-F21 HydrophobicContact CG-CE2 4.35Å; F8-F21 AromaticContact CG-CZ 3.76Å; F8-F21 HydrophobicContact CG-CZ 3.76Å; F8-I22 CarbonylContact C-O 3.58Å; F8-I22 WeakPolarHBondContact CA-O 3.27Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.16Å; F8-A23 HydrophobicContact CZ-CB 4.46Å; F8-H69 HydrophobicContact CD2-CB 4.17Å; F8-H69 HydrophobicContact CE2-CB 3.91Å; F8-H69 AromaticContact CE2-CD2 3.49Å; F8-H69 VanDerWaalsContact CE2-CD2 3.49Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.4Å; F8-H69 AromaticContact CE2-CG 3.68Å; F8-Q95 CarbonylContact O-C 3.55Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.28Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 2.69Å; F8-R96 PolarHBondContact O-N 3.11Å; F8-Y98 HydrophobicContact CD2-CE1 4.2Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.55Å; F8-Y98 HydrophobicContact CE2-CE1 3.55Å; F8-Y98 AromaticContact CZ-CE1 3.54Å; F8-Y98 HydrophobicContact CZ-CE1 3.54Å; F8-Y98 AromaticContact CZ-CZ 3.87Å; F8-Y98 VanDerWaalsContact CZ-OH 3.27Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.28Å
9T98.8Very high96.4Very high43 Ų4354.2 Ų54.226%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-129.2125.7177.8-58.60000108.9V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 4.12Å; T9-F21 WeakPolarHBondContact O-CA 3.44Å; T9-I22 PolarHBondContact N-O 2.95Å; T9-I22 PolarHBondContact O-N 3.34Å; T9-T93 HydrophobicContact CG2-CG2 3.92Å; T9-Q95 HydrophobicContact CG2-CG 4.03Å
10S98.6Very high96.5Very high1 Ų156 Ų561%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-118.1127.6173-164.70000110R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.23Å; S10-R20 WeakPolarHBondContact CA-O 3.37Å; S10-L77 VanDerWaalsContact OG-CD1 3.3Å; S10-L77 WeakPolarHBondContact OG-CD1 3.19Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; S10-V94 PolarHBondContact N-O 3.48Å; S10-V94 PolarHBondContact O-N 2.95Å
11V98.4Very high96.6Very high47 Ų4753.3 Ų53.329%0.28530%0.299SS..EExtended strand (participates in β ladder)trans-119.7116.3179.8-174.30000108.8T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4.12Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.31Å; V11-R20 PolarHBondContact N-O 3.25Å; V11-R20 PolarHBondContact O-N 2.96Å; V11-H92 WeakPolarHBondContact CA-O 3.47Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å
12S97.6Very high96.8Very high17 Ų1750.2 Ų50.212%0.11927%0.274CS..  trans-67.2149175.571.10000111S91 H92S12-S91 PolarHBondContact O-OG 2.82Å; S12-H92 PolarHBondContact N-O 3.23Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.44Å
13R96.3Very high96.9Very high67 Ų6748.7 Ų48.725%0.25327%0.267SS..  trans-13471.7-176.5-64.6-175.6-80.6-164.3-7.6110.6G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 3.48Å; R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 PolarHBondContact O-N 2.93Å; R13-E18 PolarHBondContact NE-O 3.32Å; R13-E18 PolarHBondContact NH2-O 2.88Å; R13-R20 VanDerWaalsContact NH2-CB 3.32Å; R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 2.83Å; R13-D38 IonicContact NH1-OD1 3.65Å; R13-D38 PolarHBondContact NH1-OD1 3.4Å; R13-D38 IonicContact NH1-OD2 3.47Å; R13-D38 PolarHBondContact NH1-OD2 3.5Å; R13-D38 IonicContact NH2-OD1 2.72Å; R13-D38 PolarHBondContact NH2-OD1 2.85Å; R13-D38 IonicContact NH2-OD2 3.88Å
14P92.4Very high97Very high53 Ų5348.8 Ų48.834%0.34427%0.266SS..THydrogen-bonded Turntrans-50127.1-177-26.434.1000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 3.36Å; P14-E88 WeakPolarHBondContact CB-O 3.4Å; P14-E88 WeakPolarHBondContact CG-O 3.39Å; P14-G90 WeakPolarHBondContact CG-O 3.29Å
15G90.9Very high97Very high91 Ų9148.8 Ų48.894%0.93827%0.266SS*.THydrogen-bonded Turntrans71.14.8-178.900000115.9R13R13-G15 PolarHBondContact O-N 3.48Å
16R92.8Very high97Very high217 Ų21749.8 Ų49.882%0.81927%0.271SS*.SBendtrans-126.124-178.6-59.2-177.7-179.2-174.70.2113.2R13 P14R13-R16 HydrophobicContact CB-CB 4.1Å; R13-R16 PolarHBondContact O-N 2.93Å; P14-R16 PolarHBondContact O-N 3.36Å
17G92Very high96.9Very high61 Ų6149.4 Ų49.463%0.62927%0.269SS*.SBendtrans94.7-156177.700000113.9
18E94.6Very high96.8Very high103 Ų10346.8 Ų46.848%0.48126%0.259SS..SBendtrans-70.5153-176.7-67.7-67.1158.600112.4R13 R20 R74R13-E18 PolarHBondContact NE-O 3.32Å; R13-E18 PolarHBondContact NH2-O 2.88Å; E18-R20 PolarHBondContact O-N 3.4Å; E18-R74 IonicContact OE1-CZ 3.79Å; E18-R74 IonicContact OE1-NH1 3.03Å; E18-R74 PolarHBondContact OE1-NH1 3.29Å; E18-R74 IonicContact OE1-NH2 3.53Å; E18-R74 VanDerWaalsContact OE2-CD 3.26Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 2.73Å; E18-R74 IonicContact OE2-NE 3.71Å; E18-R74 IonicContact OE2-NH1 2.7Å; E18-R74 PolarHBondContact OE2-NH1 2.95Å
19P97.1Very high96.6Very high22 Ų2249.9 Ų49.914%0.14328%0.276CS..PPolyproline II helixtrans-52.5140172.6-25.634.9000112.1V11 R74 L77V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.31Å; P19-R74 HydrophobicContact CG-CG 4.4Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.65Å
20R98.2Very high96.5Very high90 Ų9048.9 Ų48.934%0.3427%0.27SS..EExtended strand (participates in β ladder)trans-76126.4171.7-165.5172.8175.4-178.2-2.9108.4S10 V11 R13 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.23Å; S10-R20 WeakPolarHBondContact CA-O 3.37Å; V11-R20 PolarHBondContact N-O 3.25Å; V11-R20 PolarHBondContact O-N 2.96Å; R13-R20 VanDerWaalsContact NH2-CB 3.32Å; E18-R20 PolarHBondContact O-N 3.4Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; R20-D36 IonicContact CZ-OD1 3.48Å; R20-D36 IonicContact CZ-OD2 3.55Å; R20-D36 IonicContact NE-OD1 3.64Å; R20-D36 PolarHBondContact NE-OD1 3.36Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 2.72Å; R20-D36 IonicContact NH2-OD1 2.69Å; R20-D36 IonicContact NH2-OD2 3.51Å; R20-D36 PolarHBondContact NH2-OD2 3.48Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact NE-OD2 3.7Å; R20-D38 PolarHBondContact NE-OD2 3.01Å
21F98.6Very high96.4Very high0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans-114.6123.5175.1-177.3-91.5000110.3F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.89Å; F8-F21 HydrophobicContact CB-CZ 3.77Å; F8-F21 HydrophobicContact CD1-CZ 4.35Å; F8-F21 HydrophobicContact CD2-CE2 4.48Å; F8-F21 AromaticContact CD2-CZ 3.9Å; F8-F21 HydrophobicContact CD2-CZ 3.9Å; F8-F21 HydrophobicContact CG-CE2 4.35Å; F8-F21 AromaticContact CG-CZ 3.76Å; F8-F21 HydrophobicContact CG-CZ 3.76Å; T9-F21 WeakPolarHBondContact O-CA 3.44Å; F21-A23 HydrophobicContact CE1-CB 3.75Å; F21-A23 HydrophobicContact CZ-CB 4.21Å; F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.23Å; F21-S37 PolarHBondContact N-OG 3.02Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 3.36Å; F21-V66 HydrophobicContact CE1-CG2 3.67Å; F21-V66 HydrophobicContact CZ-CG2 4.46Å; F21-H69 HydrophobicContact CZ-CB 4.16Å; F21-S70 WeakPolarHBondContact CB-OG 3.12Å; F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.07Å; F21-H73 AromaticContact CE2-CD2 3.92Å; F21-H73 AromaticContact CE2-CG 3.67Å; F21-H73 AromaticContact CE2-ND1 3.77Å
22I98.8Very high96.4Very high43 Ų4349 Ų4922%0.22127%0.267CS..EExtended strand (participates in β ladder)trans-120.9131.8175.2-58174.4000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.58Å; F8-I22 WeakPolarHBondContact CA-O 3.27Å; T9-I22 PolarHBondContact N-O 2.95Å; T9-I22 PolarHBondContact O-N 3.34Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å
23A98.8Very high96.5Very high1 Ų148.2 Ų48.21%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-124.9138.2171.700000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.49Å; F8-A23 HydrophobicContact CD1-CB 3.25Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.16Å; F8-A23 HydrophobicContact CZ-CB 4.46Å; F21-A23 HydrophobicContact CE1-CB 3.75Å; F21-A23 HydrophobicContact CZ-CB 4.21Å; A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.29Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.45Å; A23-F35 PolarHBondContact O-N 2.65Å; A23-V66 HydrophobicContact CB-CG2 3.62Å
24V98.8Very high96.6Very high24 Ų2448.3 Ų48.315%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-135.1144.9174.8-62.80000109.8Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.6Å; Y6-V24 WeakPolarHBondContact CA-O 3.44Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.48Å; F7-V24 PolarHBondContact O-N 2.98Å; I22-V24 HydrophobicContact CG2-CG1 4.37Å; V24-Y26 HydrophobicContact CB-CE2 4.03Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; V24-V33 WeakPolarHBondContact CA-O 3.44Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.7Very high96.9Very high0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-122.9138.8176.300000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.58Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.36Å; G25-Q31 WeakPolarHBondContact O-CG 3.33Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.49Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.46Å
26Y98.6Very high97.2Very high69 Ų6942.6 Ų42.627%0.27121%0.207SC..EExtended strand (participates in β ladder)trans-125.5141.5178.9-73.5-101.8000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; R5-Y26 PolarHBondContact N-O 3.02Å; R5-Y26 PolarHBondContact O-N 2.87Å; F7-Y26 HydrophobicContact CD2-CD2 4.12Å; F7-Y26 HydrophobicContact CE2-CD2 4.14Å; V24-Y26 HydrophobicContact CB-CE2 4.03Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Y26-Q31 HydrophobicContact CG-CB 4.5Å
27V98.3Very high97.5Very high0 Ų033 Ų330%017%0.173CC..EExtended strand (participates in β ladder)trans-108.7119.4157176.70000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.49Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.41Å; V27-D29 PolarHBondContact O-N 3.3Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 PolarHBondContact O-N 3.35Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; V27-W50 HydrophobicContact CB-CH2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.23Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; V27-L171 HydrophobicContact CG1-CD2 4Å; V27-L171 HydrophobicContact CG1-CG 4.23Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å
28D96.1Very high97.7Very high29 Ų2934 Ų3416%0.15516%0.164CC..THydrogen-bonded Turntrans48.3-122.3-166.1-54.2-39.8000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.29Å; H2-D28 IonicContact CE1-OD2 2.69Å; H2-D28 IonicContact CG-OD2 3.55Å; H2-D28 IonicContact ND1-OD1 2.73Å; H2-D28 IonicContact ND1-OD2 3.51Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; S3-D28 PolarHBondContact N-OD1 2.9Å; S3-D28 PolarHBondContact O-N 2.94Å; S3-D28 PolarHBondContact OG-OD1 3.4Å
29D94.8Very high97.9Very high69 Ų6930.5 Ų30.537%0.36915%0.153SC..THydrogen-bonded Turntrans-94.16.5-179.7-52.5-57.1000113.3V27 A210 F240V27-D29 PolarHBondContact O-N 3.3Å; D29-A210 HydrophobicContact CB-CB 4.17Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.39Å; D29-A210 PolarHBondContact OD2-N 3.47Å; D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.53Å
30T96.1Very high97.8Very high23 Ų2334.8 Ų34.814%0.14119%0.19CC..EExtended strand (participates in β ladder)trans-104.5115.7-175.5-600000111.7Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.44Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 PolarHBondContact O-N 3.35Å; T30-F32 PolarHBondContact O-N 3.49Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; T30-Y208 PolarHBondContact OG1-OH 2.9Å
31Q97.3Very high97.6Very high49 Ų4933 Ų3323%0.22919%0.192CC..EExtended strand (participates in β ladder)trans-68.6130.2173.8-166.2-180-000110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.36Å; G25-Q31 WeakPolarHBondContact O-CG 3.33Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Y26-Q31 HydrophobicContact CG-CB 4.5Å; Q31-V33 PolarHBondContact NE2-O 3.41Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.58Å
32F98.1Very high97.5Very high0 Ų037.3 Ų37.30%021%0.212CC..EExtended strand (participates in β ladder)trans-120.5-22.2179.975.1-82.9000114.3M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; Y6-F32 AromaticContact CE1-CZ 3.84Å; Y6-F32 HydrophobicContact CE1-CZ 3.84Å; Y6-F32 AromaticContact CZ-CZ 3.72Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.49Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; T30-F32 PolarHBondContact O-N 3.49Å; F32-P46 CarbonylContact O-C 3.59Å; F32-R47 PolarHBondContact O-N 3.45Å; F32-A48 HydrophobicContact CB-CB 4.19Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.17Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.42Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å
33V98.5Very high97.5Very high1 Ų142.4 Ų42.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-139.3153.7175.8-72.70000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4Å; V24-V33 WeakPolarHBondContact CA-O 3.44Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.46Å; Q31-V33 PolarHBondContact NE2-O 3.41Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; V33-M44 HydrophobicContact CB-CG 4.09Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; V33-E45 WeakPolarHBondContact CA-O 3.33Å; V33-I51 HydrophobicContact CG1-CG1 4.47Å; V33-W59 HydrophobicContact CG1-CH2 4.15Å; V33-W59 HydrophobicContact CG1-CZ3 3.95Å
34R98.6Very high97.5Very high70 Ų7042.9 Ų42.926%0.26423%0.23SC..EExtended strand (participates in β ladder)trans-144.8143.8172.4-179.5173.6170.5100.15.8111.3A23 V24 D36 E45 R47A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.29Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact NH2-OD2 3.81Å; R34-D36 PolarHBondContact NH2-OD2 2.95Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.83Å
35F98.8Very high97.4Very high4 Ų444.5 Ų44.52%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-130.7143.1164.7175.3-84.4000109.6F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.23Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.45Å; A23-F35 PolarHBondContact O-N 2.65Å; F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.43Å; F35-Q42 WeakPolarHBondContact CE2-O 3.13Å; F35-Q42 HydrophobicContact CZ-CB 4.49Å; F35-R43 WeakPolarHBondContact CD2-O 3.25Å; F35-M44 HydrophobicContact CB-CE 4.32Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.33Å; F35-V66 HydrophobicContact CD1-CG2 3.96Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.79Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4.16Å
36D98.6Very high97.4Very high20 Ų2046.5 Ų46.511%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-137.1122.3173.8-162.4-31.4000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.48Å; R20-D36 IonicContact CZ-OD2 3.55Å; R20-D36 IonicContact NE-OD1 3.64Å; R20-D36 PolarHBondContact NE-OD1 3.36Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 2.72Å; R20-D36 IonicContact NH2-OD1 2.69Å; R20-D36 IonicContact NH2-OD2 3.51Å; R20-D36 PolarHBondContact NH2-OD2 3.48Å; R34-D36 IonicContact NH2-OD2 3.81Å; R34-D36 PolarHBondContact NH2-OD2 2.95Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 3.46Å; D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.1Very high97.3Very high16 Ų1648.1 Ų48.111%0.11226%0.255CS..THydrogen-bonded Turntrans-63.3-23.4-179.663.40000113.1F21 Q42F21-S37 PolarHBondContact N-OG 3.02Å; F21-S37 PolarHBondContact O-N 2.89Å; F21-S37 PolarHBondContact O-OG 3.36Å; S37-Q42 PolarHBondContact O-NE2 3.41Å
38D97.3Very high97.2Very high80 Ų8048.3 Ų48.343%0.42826%0.257SS..THydrogen-bonded Turntrans-88.2-8.9-179.9-68.12.6000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.7Å; R13-D38 IonicContact CZ-OD2 2.83Å; R13-D38 IonicContact NH1-OD1 3.65Å; R13-D38 PolarHBondContact NH1-OD1 3.4Å; R13-D38 IonicContact NH1-OD2 3.47Å; R13-D38 PolarHBondContact NH1-OD2 3.5Å; R13-D38 IonicContact NH2-OD1 2.72Å; R13-D38 PolarHBondContact NH2-OD1 2.85Å; R13-D38 IonicContact NH2-OD2 3.88Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.37Å; R20-D38 IonicContact NE-OD2 3.7Å; R20-D38 PolarHBondContact NE-OD2 3.01Å; D36-D38 PolarHBondContact O-N 2.93Å; D36-D38 PolarHBondContact OD1-N 3.46Å
39A97.3Very high97.2Very high30 Ų3051.9 Ų51.925%0.24828%0.281CS..SBendtrans-70.5144.517600000111D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.13Å; D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 3.42Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 3.43Å; A39-Q42 WeakPolarHBondContact O-CG 3.46Å; A39-Q42 PolarHBondContact O-N 3.02Å
40A96.6Very high97.3Very high113 Ų11349.2 Ų49.293%0.93427%0.266SS*.SBendtrans-62.3-33.5-179.500000113.4
41S94.1Very high97.4Very high53 Ų5348.1 Ų48.137%0.37126%0.259SS..SBendtrans-70.1-34.4178.761.20000112.1A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.28Å; A39-S41 PolarHBondContact O-N 3.43Å; S41-R43 WeakPolarHBondContact O-CG 3.44Å; S41-R43 PolarHBondContact O-N 2.99Å; S41-E45 PolarHBondContact OG-OE1 3.03Å
42Q96.1Very high97.3Very high90 Ų9051.6 Ų51.642%0.42128%0.275SS..  trans3949.5-167.5-59.3-172.5-26.600111.9F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.43Å; F35-Q42 WeakPolarHBondContact CE2-O 3.13Å; F35-Q42 HydrophobicContact CZ-CB 4.49Å; S37-Q42 PolarHBondContact O-NE2 3.41Å; A39-Q42 WeakPolarHBondContact O-CG 3.46Å; A39-Q42 PolarHBondContact O-N 3.02Å; Q42-K67 WeakPolarHBondContact O-CE 3.37Å; Q42-K67 PolarHBondContact O-NZ 3.49Å; Q42-K67 VanDerWaalsContact O-NZ 3.1Å
43R97.9Very high97.2Very high149 Ų14957.4 Ų57.456%0.56230%0.303SS*.SBendtrans-123156.8179-80.9177.8172.1161.9-1.4110.4F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.25Å; S41-R43 WeakPolarHBondContact O-CG 3.44Å; S41-R43 PolarHBondContact O-N 2.99Å; R43-E45 PolarHBondContact O-N 3.04Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.09Å
44M98.3Very high97.1Very high12 Ų1258 Ų586%0.05931%0.305CS..  trans-68.9127.5166-17164.98100107.8V33 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.09Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.15Å; F35-M44 HydrophobicContact CB-CE 4.32Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.29Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; M44-E62 HydrophobicContact CB-CB 4.14Å; M44-E62 HydrophobicContact CE-CB 4.5Å; M44-E62 HydrophobicContact CG-CB 4.11Å; M44-T63 PolarHBondContact N-OG1 3.3Å; M44-V66 HydrophobicContact CE-CB 3.75Å; M44-V66 HydrophobicContact CE-CG1 3.98Å; M44-V66 HydrophobicContact CE-CG2 3.88Å
45E98.2Very high97.1Very high57 Ų5756.4 Ų56.427%0.26631%0.31SS..EExtended strand (participates in β ladder)trans-117.7141.4-175-62.6177173.200110.9V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.33Å; R34-E45 PolarHBondContact N-O 2.94Å; R34-E45 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact OG-OE1 3.03Å; R43-E45 PolarHBondContact O-N 3.04Å; E45-R47 IonicContact OE2-CZ 3.89Å; E45-R47 IonicContact OE2-NH1 3.02Å; E45-R47 PolarHBondContact OE2-NH1 3.07Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.5Å; E45-R47 PolarHBondContact OE2-NH2 3.38Å
46P98.1Very high97Very high42 Ų4261.1 Ų61.127%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-66.7148.1174.828.4-34.4000111.2F32 I51 E52 W59F32-P46 CarbonylContact O-C 3.59Å; P46-I51 HydrophobicContact CB-CG2 3.64Å; P46-E52 HydrophobicContact CB-CG 3.73Å; P46-E52 HydrophobicContact CG-CG 3.96Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.97Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.38Å
47R97.4Very high96.9Very high104 Ų10468.6 Ų68.639%0.39238%0.375SS..  trans-130.52173.6-65.4-63.5-178.5-93.62.6113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.49Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.38Å; Q31-R47 CarbonylContact O-C 3.58Å; F32-R47 PolarHBondContact O-N 3.45Å; R34-R47 HydrophobicContact CB-CG 3.83Å; E45-R47 IonicContact OE2-CZ 3.89Å; E45-R47 IonicContact OE2-NH1 3.02Å; E45-R47 PolarHBondContact OE2-NH1 3.07Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.5Å; E45-R47 PolarHBondContact OE2-NH2 3.38Å
48A96.1Very high96.9Very high4 Ų468.8 Ų68.83%0.03337%0.374CS..SBendtrans-139.3143.9172.800000110.6F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.19Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.46Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 2.87Å
49P96.1Very high97Very high103 Ų10366.8 Ų66.867%0.66936%0.36SS*.G310 helixtrans-58.5-37.7-177-26.634.9000113.8I51 E52P49-I51 PolarHBondContact O-N 2.71Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 3.22Å; P49-E52 VanDerWaalsContact O-N 3.11Å
50W96.2Very high97Very high14 Ų1469.2 Ų69.25%0.05337%0.369CS..G310 helixtrans-69.4-14.3-176.454.3-105.4000114.5V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.96Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.34Å; F32-W50 HydrophobicContact CB-CZ3 3.99Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.17Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.13Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.98Å; A48-W50 PolarHBondContact O-N 3.46Å; W50-Q53 WeakPolarHBondContact O-CG 3.06Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.95Å; W50-Y170 HydrophobicContact CZ3-CD1 3.95Å; W50-Y170 AromaticContact CZ3-CG 3.8Å; W50-Y170 HydrophobicContact CZ3-CG 3.8Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å
51I97.7Very high97.1Very high0 Ų064.5 Ų64.50%033%0.332CS..G310 helixtrans-89.6-20173.7-163.371.1000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.41Å; F32-I51 VanDerWaalsContact O-CG2 3.27Å; F32-I51 WeakPolarHBondContact O-CG2 3.42Å; V33-I51 HydrophobicContact CG1-CG1 4.47Å; P46-I51 HydrophobicContact CB-CG2 3.64Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 2.87Å; P49-I51 PolarHBondContact O-N 2.71Å; I51-Q53 PolarHBondContact O-N 2.71Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 2.97Å; I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.8Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 WeakPolarHBondContact O-CZ2 3.5Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å
52E96.6Very high97.3Very high121 Ų12162.9 Ų62.957%0.56532%0.318SS*.THydrogen-bonded Turntrans-63.8-22.5-176.7-64.2-178.1-175.700113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.73Å; P46-E52 HydrophobicContact CG-CG 3.96Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 3.22Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 3.49Å
53Q95.3Very high97.4Very high123 Ų12359.2 Ų59.258%0.57530%0.302SS*.THydrogen-bonded Turntrans-71.4-12.7175.869-17812.100114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.06Å; I51-Q53 PolarHBondContact O-N 2.71Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 PolarHBondContact NE2-ND2 2.84Å; Q53-N173 PolarHBondContact NE2-OD1 3.13Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.12Å
54E97.1Very high97.4Very high14 Ų1460.4 Ų60.47%0.06531%0.306CS..SBendtrans-65.2138.6175-67.4-62.4162.800111I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.24Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 WeakPolarHBondContact O-CG 3.46Å; I51-E54 PolarHBondContact O-N 2.97Å; E52-E54 PolarHBondContact O-N 3.49Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; E54-W59 PolarHBondContact O-NE1 2.92Å; E54-R169 IonicContact OE1-CZ 3.86Å; E54-R169 IonicContact OE1-NE 3.51Å; E54-R169 PolarHBondContact OE1-NE 3.23Å; E54-R169 IonicContact OE1-NH2 3.76Å; E54-R169 PolarHBondContact OE1-NH2 3.18Å; E54-R169 IonicContact OE2-CZ 3.45Å; E54-R169 IonicContact OE2-NE 3.13Å; E54-R169 IonicContact OE2-NH2 3.25Å; E54-R169 PolarHBondContact OE2-NH2 3.04Å; E54-N173 PolarHBondContact OE1-ND2 3.19Å; E54-N173 VanDerWaalsContact OE1-ND2 3.15Å
55G96.8Very high97.4Very high35 Ų3564.8 Ų64.836%0.36133%0.325SS..  trans-73.9170.2-173.600000114.3E57 Y58 W59G55-E57 PolarHBondContact O-N 2.95Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.19Å; G55-Y58 PolarHBondContact O-N 3.41Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.88Å
56P97.3Very high97.4Very high103 Ų10362.2 Ų62.267%0.66931%0.313SS*.Hα-helixtrans-55.1-36-179.4-26.334.7000114.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.37Å; P56-W59 PolarHBondContact O-N 2.89Å; P56-D60 WeakPolarHBondContact O-CB 3.34Å; P56-D60 PolarHBondContact O-N 2.88Å
57E97.8Very high97.4Very high177 Ų17764.2 Ų64.283%0.82732%0.318SS*.Hα-helixtrans-61-36.5178.7-64.3-175.5174.100112.7G55 G61G55-E57 PolarHBondContact O-N 2.95Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-G61 PolarHBondContact O-N 3Å
58Y97.8Very high97.5Very high20 Ų2061.9 Ų61.98%0.07832%0.321CS..Hα-helixtrans-63.6-53.1174.3172-92.3000110.1I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.25Å; E54-Y58 HydrophobicContact CB-CD1 3.54Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CG 3.72Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.23Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; G55-Y58 WeakPolarHBondContact O-CB 3.19Å; G55-Y58 PolarHBondContact O-N 3.41Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.37Å; Y58-D60 PolarHBondContact O-N 3.32Å; Y58-G61 PolarHBondContact O-N 2.77Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.33Å; Y58-E62 HydrophobicContact CD2-CG 4.24Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.87Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.4Å; Y58-E62 PolarHBondContact O-N 2.95Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.32Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.27Å; Y58-W166 AromaticContact CE2-CH2 3.79Å; Y58-W166 HydrophobicContact CE2-CH2 3.79Å; Y58-W166 HydrophobicContact CE2-CZ2 4.43Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; Y58-Y170 HydrophobicContact CE2-CE1 4.43Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 3.24Å
59W98.4Very high97.5Very high39 Ų3964.3 Ų64.315%0.14833%0.331CS..Hα-helixtrans-63.8-40.1-176.8-66112.3000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.15Å; V33-W59 HydrophobicContact CG1-CZ3 3.95Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.29Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.97Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.38Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.8Å; I51-W59 HydrophobicContact CG1-CZ2 4.06Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 WeakPolarHBondContact O-CZ2 3.5Å; E54-W59 PolarHBondContact O-NE1 2.92Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.88Å; P56-W59 PolarHBondContact O-N 2.89Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.08Å; W59-T63 PolarHBondContact O-OG1 3.33Å
60D98.3Very high97.6Very high81 Ų8160.2 Ų60.243%0.43331%0.305SS..Hα-helixtrans-67.6-39.6174.8-76.7-20.4000111.4P56 Y58 R64P56-D60 WeakPolarHBondContact O-CB 3.34Å; P56-D60 PolarHBondContact O-N 2.88Å; Y58-D60 PolarHBondContact O-N 3.32Å; D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 3.26Å
61G98.2Very high97.7Very high14 Ų1464.5 Ų64.514%0.14433%0.326CS..Hα-helixtrans-61.1-53174.600000112.5E57 Y58 R64 K65E57-G61 PolarHBondContact O-N 3Å; Y58-G61 PolarHBondContact O-N 2.77Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.98Å; G61-K65 WeakPolarHBondContact O-CG 3.47Å; G61-K65 PolarHBondContact O-N 2.62Å
62E98.1Very high97.7Very high19 Ų1967.5 Ų67.59%0.08934%0.344CS..Hα-helixtrans-64.7-39.7178.9-68.2-49.9116.300111.7M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.14Å; M44-E62 HydrophobicContact CE-CB 4.5Å; M44-E62 HydrophobicContact CG-CB 4.11Å; Y58-E62 HydrophobicContact CD1-CG 4.33Å; Y58-E62 HydrophobicContact CD2-CG 4.24Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.87Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CG 3.4Å; Y58-E62 PolarHBondContact O-N 2.95Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.79Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.78Å; E62-V66 WeakPolarHBondContact O-CB 3.31Å; E62-V66 WeakPolarHBondContact O-CG1 3.32Å; E62-V66 PolarHBondContact O-N 2.96Å
63T98.6Very high97.7Very high12 Ų1261.8 Ų61.87%0.07432%0.317CS..Hα-helixtrans-60.4-42.1173.5-64.30000111.7R43 M44 W59 V66 K67R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.09Å; M44-T63 PolarHBondContact N-OG1 3.3Å; W59-T63 WeakPolarHBondContact O-CB 3.42Å; W59-T63 PolarHBondContact O-N 3.08Å; W59-T63 PolarHBondContact O-OG1 3.33Å; T63-V66 WeakPolarHBondContact O-CG1 3.39Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 3.43Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 2.93Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64R98.4Very high97.8Very high174 Ų17461.1 Ų61.166%0.65731%0.31SS*.Hα-helixtrans-65.9-45.6177.7-169.2-175.6-58.2110.73.4111.4D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.47Å; D60-R64 PolarHBondContact O-N 3.26Å; G61-R64 PolarHBondContact O-N 2.98Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.79Å; R64-K67 PolarHBondContact O-N 2.93Å; R64-A68 PolarHBondContact O-N 2.96Å
65K97.7Very high97.8Very high105 Ų10564.8 Ų64.846%0.45733%0.332SS..Hα-helixtrans-61.4-47.4178.6-69.9172.6-167.1165.50111.5G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.47Å; G61-K65 PolarHBondContact O-N 2.62Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 2.78Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.28Å; K65-A68 WeakPolarHBondContact O-CB 3.27Å; K65-A68 PolarHBondContact O-N 3.1Å; K65-H69 PolarHBondContact O-CD2 2.89Å; K65-H69 PolarHBondContact O-N 3.14Å
66V98.1Very high97.8Very high3 Ų365 Ų652%0.01833%0.325CS..Hα-helixtrans-67.6-34.8-178.376.10000112.1F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.67Å; F21-V66 HydrophobicContact CZ-CG2 4.46Å; A23-V66 HydrophobicContact CB-CG2 3.62Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.33Å; F35-V66 HydrophobicContact CD1-CG2 3.96Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.79Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; M44-V66 HydrophobicContact CE-CB 3.75Å; M44-V66 HydrophobicContact CE-CG1 3.98Å; M44-V66 HydrophobicContact CE-CG2 3.88Å; E62-V66 WeakPolarHBondContact O-CB 3.31Å; E62-V66 WeakPolarHBondContact O-CG1 3.32Å; E62-V66 PolarHBondContact O-N 2.96Å; T63-V66 WeakPolarHBondContact O-CG1 3.39Å; V66-H69 PolarHBondContact O-N 3.29Å; V66-S70 PolarHBondContact O-N 2.73Å
67K98.3Very high97.8Very high84 Ų8460.5 Ų60.537%0.36530%0.296SS..Hα-helixtrans-65.1-40.4171.2-76.4-176.3179.2-175.50112.3F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 4.16Å; Q42-K67 WeakPolarHBondContact O-CE 3.37Å; Q42-K67 PolarHBondContact O-NZ 3.49Å; Q42-K67 VanDerWaalsContact O-NZ 3.1Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 3.43Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.35Å; T63-K67 PolarHBondContact O-N 2.93Å; T63-K67 VanDerWaalsContact O-N 3.1Å; R64-K67 PolarHBondContact O-N 2.93Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 3.28Å; K67-S70 WeakPolarHBondContact O-CB 3.23Å; K67-S70 PolarHBondContact O-N 3.41Å; K67-Q71 WeakPolarHBondContact O-CG 3.03Å; K67-Q71 PolarHBondContact O-N 3.15Å; K67-Q71 VanDerWaalsContact O-N 3.12Å
68A98.1Very high97.8Very high55 Ų5553.8 Ų53.846%0.45527%0.274SS..Hα-helixtrans-61.5-44.5173.700000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 2.96Å; K65-A68 WeakPolarHBondContact O-CB 3.27Å; K65-A68 PolarHBondContact O-N 3.1Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.81Å; A68-Q71 PolarHBondContact O-N 3.01Å; A68-T72 PolarHBondContact O-N 2.81Å; A68-T72 PolarHBondContact O-OG1 2.98Å
69H97.6Very high97.7Very high54 Ų5455.4 Ų55.425%0.2529%0.286CS..Hα-helixtrans-62.5-38.4174.8-74.3-47000113.2F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.17Å; F8-H69 HydrophobicContact CE2-CB 3.91Å; F8-H69 AromaticContact CE2-CD2 3.49Å; F8-H69 VanDerWaalsContact CE2-CD2 3.49Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.4Å; F8-H69 AromaticContact CE2-CG 3.68Å; F21-H69 HydrophobicContact CZ-CB 4.16Å; K65-H69 PolarHBondContact O-CD2 2.89Å; K65-H69 PolarHBondContact O-N 3.14Å; V66-H69 PolarHBondContact O-N 3.29Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 2.86Å; H69-T72 PolarHBondContact O-N 2.86Å; H69-H73 PolarHBondContact O-CD2 2.04Å; H69-H73 PolarHBondContact O-N 2.87Å; H69-R96 PolarHBondContact CE1-NH1 3.21Å; H69-R96 VanDerWaalsContact CE1-NH1 3.28Å; H69-R96 PolarHBondContact ND1-NH1 3.01Å
70S97.8Very high97.7Very high17 Ų1754 Ų5412%0.11928%0.282CS..Hα-helixtrans-57.7-43.2173.3178.60000111.9F21 V66 K67 A68 H73 R74F21-S70 WeakPolarHBondContact CB-OG 3.12Å; V66-S70 PolarHBondContact O-N 2.73Å; K67-S70 WeakPolarHBondContact O-CB 3.23Å; K67-S70 PolarHBondContact O-N 3.41Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.81Å; S70-H73 PolarHBondContact O-N 2.98Å; S70-R74 PolarHBondContact O-N 2.9Å
71Q97.6Very high97.6Very high105 Ų10553.5 Ų53.549%0.49127%0.274SS..Hα-helixtrans-67.5-40.7175.3-63-54.5-41.700112.6K67 A68 H69 H73 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.03Å; K67-Q71 PolarHBondContact O-N 3.15Å; K67-Q71 VanDerWaalsContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 3.01Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 2.86Å; Q71-H73 PolarHBondContact O-N 2.84Å; Q71-R74 WeakPolarHBondContact O-CB 3.33Å; Q71-R74 PolarHBondContact O-N 3.28Å; Q71-V75 PolarHBondContact O-N 3.3Å; Q71-V75 VanDerWaalsContact O-N 3.13Å
72T97.3Very high97.5Very high63 Ų6354.9 Ų54.939%0.38729%0.288SS..Hα-helixtrans-58.5-48.7173.7-54.70000111A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.81Å; A68-T72 PolarHBondContact O-OG1 2.98Å; H69-T72 PolarHBondContact O-N 2.86Å; T72-R74 VanDerWaalsContact C-N 3.28Å; T72-R74 PolarHBondContact O-N 2.89Å; T72-V75 WeakPolarHBondContact O-CB 2.94Å; T72-V75 PolarHBondContact O-N 2.94Å; T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.24Å
73H97.6Very high97.5Very high0 Ų056.9 Ų56.90%030%0.295CS..Hα-helixtrans-63.7-32.4179.7-82.3-126.8000112.9F21 H69 S70 Q71 D76 L77F21-H73 HydrophobicContact CD2-CB 4.05Å; F21-H73 HydrophobicContact CE2-CB 4.07Å; F21-H73 AromaticContact CE2-CD2 3.92Å; F21-H73 AromaticContact CE2-CG 3.67Å; F21-H73 AromaticContact CE2-ND1 3.77Å; H69-H73 PolarHBondContact O-CD2 2.04Å; H69-H73 PolarHBondContact O-N 2.87Å; S70-H73 PolarHBondContact O-N 2.98Å; Q71-H73 PolarHBondContact O-N 2.84Å; H73-D76 PolarHBondContact O-N 3.24Å; H73-L77 WeakPolarHBondContact O-CG 3.47Å; H73-L77 PolarHBondContact O-N 3.05Å
74R97.3Very high97.4Very high110 Ų11059.5 Ų59.542%0.41530%0.304SS..Hα-helixtrans-62-44.8171.8170.6-168153.9150.8-3.5111.3E18 P19 S70 Q71 T72 G78E18-R74 IonicContact OE1-CZ 3.79Å; E18-R74 IonicContact OE1-NH1 3.03Å; E18-R74 PolarHBondContact OE1-NH1 3.29Å; E18-R74 IonicContact OE1-NH2 3.53Å; E18-R74 VanDerWaalsContact OE2-CD 3.26Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 2.73Å; E18-R74 IonicContact OE2-NE 3.71Å; E18-R74 IonicContact OE2-NH1 2.7Å; E18-R74 PolarHBondContact OE2-NH1 2.95Å; P19-R74 HydrophobicContact CG-CG 4.4Å; S70-R74 PolarHBondContact O-N 2.9Å; Q71-R74 WeakPolarHBondContact O-CB 3.33Å; Q71-R74 PolarHBondContact O-N 3.28Å; T72-R74 VanDerWaalsContact C-N 3.28Å; T72-R74 PolarHBondContact O-N 2.89Å; R74-G78 PolarHBondContact O-N 2.88Å
75V97.1Very high97.3Very high90 Ų9058.5 Ų58.555%0.54531%0.312SS..Hα-helixtrans-66.7-40.2176.2175.60000110.9Q71 T72 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.3Å; Q71-V75 VanDerWaalsContact O-N 3.13Å; T72-V75 WeakPolarHBondContact O-CB 2.94Å; T72-V75 PolarHBondContact O-N 2.94Å; V75-L77 PolarHBondContact O-N 3.32Å; V75-G78 PolarHBondContact O-N 2.9Å; V75-T79 WeakPolarHBondContact O-CB 3.36Å; V75-T79 PolarHBondContact O-N 3.29Å; V75-T79 PolarHBondContact O-OG1 2.69Å
76D97.3Very high97.3Very high39 Ų3956.3 Ų56.321%0.20930%0.303CS..Hα-helixtrans-61.2-43.8177.8-66.5-22.5000111.2T72 H73 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.24Å; H73-D76 PolarHBondContact O-N 3.24Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.06Å; D76-T79 PolarHBondContact O-N 2.87Å; D76-T79 VanDerWaalsContact O-N 3.17Å; D76-L80 HydrophobicContact CB-CD1 4.43Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.24Å; D76-L80 PolarHBondContact O-N 2.79Å
77L97.7Very high97.1Very high9 Ų959.9 Ų59.95%0.04733%0.328CS..Hα-helixtrans-55.4-44.2175.5-81.2164.7000112.3S10 P19 H73 V75 R81 H92 V94 Y117S10-L77 VanDerWaalsContact OG-CD1 3.3Å; S10-L77 WeakPolarHBondContact OG-CD1 3.19Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.65Å; H73-L77 WeakPolarHBondContact O-CG 3.47Å; H73-L77 PolarHBondContact O-N 3.05Å; V75-L77 PolarHBondContact O-N 3.32Å; L77-R81 VanDerWaalsContact O-CB 3.26Å; L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.01Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 3.98Å; L77-H92 WeakPolarHBondContact CD2-O 3.41Å; L77-V94 HydrophobicContact CD2-CB 4.35Å; L77-V94 HydrophobicContact CD2-CG2 3.66Å; L77-V94 HydrophobicContact CG-CB 4.43Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L77-Y117 HydrophobicContact CD2-CE2 4.4Å
78G95.9Very high96.7Very high37 Ų3762.4 Ų62.438%0.38134%0.341SS..Hα-helixtrans-68.8-40.7177.100000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 2.88Å; V75-G78 PolarHBondContact O-N 2.9Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.06Å; G78-G82 PolarHBondContact O-N 3.17Å
79T97Very high96.4Very high53 Ų5364 Ų6433%0.32536%0.355SS..Hα-helixtrans-65.7-48.2179.8-58.60000111.5V75 D76 G82 Y83V75-T79 WeakPolarHBondContact O-CB 3.36Å; V75-T79 PolarHBondContact O-N 3.29Å; V75-T79 PolarHBondContact O-OG1 2.69Å; D76-T79 PolarHBondContact O-N 2.87Å; D76-T79 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.4Å; T79-G82 PolarHBondContact O-N 3.42Å; T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.85Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 PolarHBondContact O-N 2.9Å
80L97.7Very high96.2Very high10 Ų1062.4 Ų62.45%0.05235%0.353CS..Hα-helixtrans-64.9-44.9-179.4-68.6167.6000110.9D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.43Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.24Å; D76-L80 PolarHBondContact O-N 2.79Å; L80-G82 PolarHBondContact O-N 2.75Å; L80-Y83 HydrophobicContact CD2-CD2 4.46Å; L80-Y83 PolarHBondContact O-N 2.8Å; L80-Y84 HydrophobicContact CD2-CE2 4.33Å; L80-Y84 WeakPolarHBondContact O-CD2 3.32Å; L80-Y84 PolarHBondContact O-N 3Å; L80-V94 HydrophobicContact CD1-CG2 3.51Å; L80-Y117 HydrophobicContact CB-CD1 4.3Å; L80-Y117 HydrophobicContact CB-CD2 4.09Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.33Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 4.02Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; L80-Y122 HydrophobicContact CD2-CD1 4.31Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.71Å; L80-Y122 HydrophobicContact CD2-CE2 3.4Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.4Å; L80-Y122 HydrophobicContact CD2-CG 4.48Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å
81R96.6Very high96.2Very high71 Ų7165.2 Ų65.227%0.26837%0.372SS..Hα-helixtrans-52.4-42.2173-174.2-173.168.1176.710.4111.6L77 N85 Q86 E88 Y117L77-R81 VanDerWaalsContact O-CB 3.26Å; L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.01Å; L77-R81 VanDerWaalsContact O-N 3.15Å; R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.33Å; R81-Q86 PolarHBondContact O-N 2.85Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 IonicContact NH1-OE1 3.22Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 3.37Å; R81-E88 PolarHBondContact NH2-OE1 3.4Å; R81-Y117 PolarHBondContact N-OH 3.01Å
82G96.3Very high96.2Very high43 Ų4360.9 Ų60.944%0.44335%0.352SS..Hα-helixtrans-64.7-47.6174.800000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.4Å; T79-G82 PolarHBondContact O-N 3.42Å; L80-G82 PolarHBondContact O-N 2.75Å; G82-Y84 PolarHBondContact O-N 2.98Å; G82-N85 PolarHBondContact O-N 2.87Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 2.93Å
83Y97.3Very high96.3Very high61 Ų6159.5 Ų59.524%0.23934%0.344CS..Hα-helixtrans-60.5-34.5178.7-69.5-7.4000113.3T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.4Å; T79-Y83 HydrophobicContact CG2-CD2 4.39Å; T79-Y83 HydrophobicContact CG2-CE1 3.85Å; T79-Y83 HydrophobicContact CG2-CE2 3.84Å; T79-Y83 PolarHBondContact O-N 2.9Å; L80-Y83 HydrophobicContact CD2-CD2 4.46Å; L80-Y83 PolarHBondContact O-N 2.8Å; Y83-A138 HydrophobicContact CD2-CB 4.43Å; Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.07Å; Y83-K145 PolarHBondContact OH-NZ 3.34Å
84Y97.3Very high96.3Very high66 Ų6659.6 Ų59.626%0.25934%0.344SS..THydrogen-bonded Turntrans-91.73.4178.4-69.2-73.1000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.33Å; L80-Y84 WeakPolarHBondContact O-CD2 3.32Å; L80-Y84 PolarHBondContact O-N 3Å; G82-Y84 PolarHBondContact O-N 2.98Å; Y84-Q86 PolarHBondContact O-N 2.62Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.94Å; Y84-D136 PolarHBondContact OH-OD2 3.46Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å
85N96.3Very high96.4Very high153 Ų15357.9 Ų57.982%0.81834%0.341SS*.THydrogen-bonded Turntrans5240.3-177.7-57-57.7000113.3R81 G82R81-N85 PolarHBondContact O-N 2.94Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.87Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 2.93Å
86Q96.6Very high96.5Very high60 Ų6054.6 Ų54.628%0.2832%0.319SS..  trans-88.8151.4-176.9-70.5165.6-36.600111.9R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.84Å; R81-Q86 WeakPolarHBondContact CG-O 3.33Å; R81-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 PolarHBondContact O-N 2.62Å; Q86-H92 PolarHBondContact NE2-CE1 3.33Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; Q86-Y117 PolarHBondContact OE1-OH 3.47Å; Q86-D118 PolarHBondContact NE2-OD2 3Å
87S94.3Very high96.5Very high78 Ų7853.8 Ų53.855%0.54531%0.314SS..  trans-69.8152.4-178.874.40000112.8A89 G90S87-A89 PolarHBondContact O-N 2.98Å; S87-G90 PolarHBondContact O-N 2.82Å
88E90.6Very high96.6Very high136 Ų13654.2 Ų54.264%0.63632%0.315SS*.THydrogen-bonded Turntrans-70.2-19.7176.9-54.2-154.712600114.4P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.4Å; P14-E88 WeakPolarHBondContact CG-O 3.39Å; R81-E88 IonicContact CZ-OE1 2.69Å; R81-E88 IonicContact NH1-OE1 3.22Å; R81-E88 PolarHBondContact NH1-OE1 2.84Å; R81-E88 IonicContact NH2-OE1 3.37Å; R81-E88 PolarHBondContact NH2-OE1 3.4Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.32Å
89A92Very high96.7Very high89 Ų8952.4 Ų52.474%0.73630%0.297SS*.THydrogen-bonded Turntrans-75.7-15.4178.800000113S87S87-A89 PolarHBondContact O-N 2.98Å
90G93Very high96.8Very high21 Ų2149.9 Ų49.922%0.21628%0.281CS..SBendtrans-76.2134.1-179.200000112.9P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.29Å; S87-G90 PolarHBondContact O-N 2.82Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.32Å; G90-H92 PolarHBondContact O-CD2 3.25Å
91S97.1Very high96.8Very high75 Ų7550.7 Ų50.752%0.52429%0.285SS..  trans-80.9131.1165.3-1780000108.9S12S12-S91 PolarHBondContact O-OG 2.82Å
92H98.2Very high96.9Very high15 Ų1547.3 Ų47.37%0.06927%0.273CS..  trans-129.5154-176.2-64.8-72.8000110.6V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.47Å; S12-H92 PolarHBondContact N-O 3.23Å; S12-H92 PolarHBondContact OG-N 2.91Å; S12-H92 PolarHBondContact OG-O 3.44Å; L77-H92 HydrophobicContact CD2-CB 3.98Å; L77-H92 WeakPolarHBondContact CD2-O 3.41Å; Q86-H92 PolarHBondContact NE2-CE1 3.33Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; G90-H92 PolarHBondContact O-CD2 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.45Å; H92-D118 WeakPolarHBondContact CA-OD1 3.03Å; H92-D118 IonicContact CE1-OD2 3.44Å; H92-D118 IonicContact CG-OD1 2.8Å; H92-D118 IonicContact CG-OD2 3.23Å; H92-D118 IonicContact ND1-OD1 3.35Å; H92-D118 IonicContact ND1-OD2 2.78Å; H92-D118 PolarHBondContact ND1-OD2 3.44Å
93T98.6Very high96.8Very high34 Ų3445.5 Ų45.521%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-126.1128.6-176.4-54.10000110.9T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.92Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.3Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; V11-T93 HydrophobicContact CG2-CG2 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.41Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 2.89Å
94V98.6Very high96.5Very high1 Ų147.7 Ų47.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-111.4123.9168.2173.40000108.5S10 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 3.48Å; S10-V94 PolarHBondContact O-N 2.95Å; L77-V94 HydrophobicContact CD2-CB 4.35Å; L77-V94 HydrophobicContact CD2-CG2 3.66Å; L77-V94 HydrophobicContact CG-CB 4.43Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L80-V94 HydrophobicContact CD1-CG2 3.51Å; V94-Y115 HydrophobicContact CG1-CD1 4.02Å; V94-Y115 HydrophobicContact CG1-CE1 4.35Å; V94-Y117 HydrophobicContact CG2-CD2 3.69Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å
95Q98.8Very high96.3Very high75 Ų7548.5 Ų48.535%0.3529%0.287SS..EExtended strand (participates in β ladder)trans-115.5144.1175.1-64.9171.7-85.600109.7F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.55Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.28Å; T9-Q95 HydrophobicContact CG2-CG 4.03Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.49Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 2.76Å
96R98.5Very high96Very high20 Ų2045.4 Ų45.48%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-134.4134.8173.4-179.2-169.5-178-164.6-13.3109.3F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.37Å; F8-R96 HydrophobicContact CB-CB 4.35Å; F8-R96 PolarHBondContact N-O 2.69Å; F8-R96 PolarHBondContact O-N 3.11Å; H69-R96 PolarHBondContact CE1-NH1 3.21Å; H69-R96 VanDerWaalsContact CE1-NH1 3.28Å; H69-R96 PolarHBondContact ND1-NH1 3.01Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; R96-H113 PolarHBondContact NE-NE2 2.93Å; R96-H113 PolarHBondContact NH2-CD2 2.82Å; R96-H113 VanDerWaalsContact NH2-CD2 3.28Å; R96-H113 PolarHBondContact NH2-NE2 2.85Å; R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.31Å; R96-Q114 WeakPolarHBondContact CA-O 3.4Å; R96-Y115 HydrophobicContact CB-CD1 4.12Å; R96-Y115 HydrophobicContact CB-CD2 4.43Å; R96-Y115 HydrophobicContact CB-CE1 3.99Å; R96-Y115 HydrophobicContact CB-CE2 4.25Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-CZ 3.42Å; R96-Y115 VanDerWaalsContact CD-OH 3.32Å; R96-Y115 WeakPolarHBondContact CD-OH 3.26Å; R96-Y115 HydrophobicContact CG-CD1 4.45Å; R96-Y115 HydrophobicContact CG-CD2 3.96Å; R96-Y115 HydrophobicContact CG-CE1 4.14Å; R96-Y115 HydrophobicContact CG-CE2 3.55Å; R96-Y115 HydrophobicContact CG-CG 4.39Å; R96-Y115 PolarHBondContact NE-OH 2.88Å
97M98.6Very high95.9Very high22 Ų2250.8 Ų50.811%0.10828%0.282CS..EExtended strand (participates in β ladder)trans-121.5133.6165.9-176-80.5-77.300109.2Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.42Å; F7-M97 HydrophobicContact CD1-CB 3.92Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.07Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.95Å; M97-Y112 HydrophobicContact CE-CD1 4.2Å; M97-Y112 HydrophobicContact CE-CG 4.18Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; M97-H113 WeakPolarHBondContact O-CA 3.29Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 VanDerWaalsContact CE-CD 3.46Å; M97-Q114 HydrophobicContact CE-CG 4Å; M97-Q114 PolarHBondContact N-O 2.9Å; M97-Q114 PolarHBondContact O-N 2.72Å
98Y98.6Very high96.1Very high18 Ų1849.9 Ų49.97%0.07127%0.268CS..EExtended strand (participates in β ladder)trans-147.2158.4169.970.5-83.5000111.2Y6 F8 R96 Y112 Y158Y6-Y98 HydrophobicContact CD2-CD2 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.63Å; Y6-Y98 HydrophobicContact CD2-CE2 3.63Å; Y6-Y98 AromaticContact CD2-CZ 3.73Å; Y6-Y98 HydrophobicContact CE2-CE2 4.37Å; Y6-Y98 HydrophobicContact CG-CE1 4.28Å; Y6-Y98 HydrophobicContact CG-CE2 4.15Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.27Å; Y6-Y98 PolarHBondContact O-N 3.19Å; Y6-Y98 VanDerWaalsContact O-N 3.09Å; F8-Y98 HydrophobicContact CD2-CE1 4.2Å; F8-Y98 HydrophobicContact CE1-CE1 4.16Å; F8-Y98 AromaticContact CE2-CE1 3.55Å; F8-Y98 HydrophobicContact CE2-CE1 3.55Å; F8-Y98 AromaticContact CZ-CE1 3.54Å; F8-Y98 HydrophobicContact CZ-CE1 3.54Å; F8-Y98 AromaticContact CZ-CZ 3.87Å; F8-Y98 VanDerWaalsContact CZ-OH 3.27Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.28Å; R96-Y98 HydrophobicContact CG-CD1 4.31Å; Y98-Y112 CarbonylContact C-O 3.59Å; Y98-Y112 WeakPolarHBondContact CA-O 3.19Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.19Å; Y98-Y158 AromaticContact CD2-CE1 3.92Å; Y98-Y158 HydrophobicContact CD2-CE1 3.92Å; Y98-Y158 AromaticContact CE2-CE1 3.87Å; Y98-Y158 HydrophobicContact CE2-CE1 3.87Å
99G98.6Very high96.4Very high0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans160.8-177-178.700000113.7M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.44Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.35Å; G99-Y112 PolarHBondContact N-O 3.42Å; G99-Y112 PolarHBondContact O-N 2.8Å; G99-L159 WeakPolarHBondContact O-CD2 3.47Å
100C98.7Very high96.7Very high0 Ų048.8 Ų48.80%025%0.247CC..EExtended strand (participates in β ladder)trans-136153.2-176.1560000111.4S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.41Å; M4-C100 PolarHBondContact N-O 3.43Å; M4-C100 PolarHBondContact O-N 3.2Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.46Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.94Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.6Å
101D98.4Very high96.9Very high26 Ų2648 Ų4814%0.13924%0.238CC..EExtended strand (participates in β ladder)trans-114.7142.8173.5-60.5-11.6000109.7H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.46Å; S3-D101 WeakPolarHBondContact CB-OD1 3.45Å; R5-D101 IonicContact CZ-OD1 3.96Å; R5-D101 IonicContact NE-OD1 3.57Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 VanDerWaalsContact NH2-CG 3.25Å; R5-D101 IonicContact NH2-OD1 3.57Å; R5-D101 PolarHBondContact NH2-OD1 2.88Å; R5-D101 IonicContact NH2-OD2 3.39Å; R5-D101 PolarHBondContact NH2-OD2 3.49Å; D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.83Å; D101-R110 HydrophobicContact CB-CB 4.35Å; D101-R110 PolarHBondContact N-O 3.33Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.44Å; D101-Y112 PolarHBondContact OD2-OH 3.24Å
102V97.8Very high97Very high0 Ų046.3 Ų46.30%022%0.221CC..EExtended strand (participates in β ladder)trans-124.1144.9174.9-61.70000111.6S1 H2 W106 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.45Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.32Å; H2-V102 PolarHBondContact O-N 3.2Å; V102-W106 HydrophobicContact CG2-CE3 4.49Å; V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.28Å; V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.44Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.72Å; V102-L167 HydrophobicContact CG2-CG 4.28Å
103G95.5Very high97Very high6 Ų645.9 Ų45.96%0.06222%0.219CC..  trans-70.6174.6175.800000112.3D105 W106 R107 L109G103-D105 PolarHBondContact O-N 3.14Å; G103-W106 WeakPolarHBondContact O-CA 3.4Å; G103-W106 PolarHBondContact O-N 3.18Å; G103-R107 PolarHBondContact N-O 3.22Å; G103-L109 VanDerWaalsContact CA-CD1 3.45Å
104S90.9Very high97Very high106 Ų10647.8 Ų47.874%0.74123%0.226SC*.THydrogen-bonded Turntrans-62.5-21.3170.547.70000112.8W106S104-W106 VanDerWaalsContact C-N 3.27Å
105D91.8Very high97Very high83 Ų8348.8 Ų48.844%0.44423%0.229SC..THydrogen-bonded Turntrans-88.410172.770.9-18.4000113.2G103 R107G103-D105 PolarHBondContact O-N 3.14Å; D105-R107 PolarHBondContact O-N 3.39Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 3.32Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.48Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.5Å; D105-R107 IonicContact OD2-NE 3.36Å
106W90Very high97Very high89 Ų8946 Ų4634%0.33722%0.219SC..SBendtrans65.57.9-179.7-49.995.4000115V102 G103 S104 R168 L171V102-W106 HydrophobicContact CG2-CE3 4.49Å; G103-W106 WeakPolarHBondContact O-CA 3.4Å; G103-W106 PolarHBondContact O-N 3.18Å; S104-W106 VanDerWaalsContact C-N 3.27Å; W106-R168 HydrophobicContact CE3-CG 4.12Å; W106-R168 PolarHBondContact O-NE 2.99Å; W106-R168 VanDerWaalsContact O-NE 3.14Å; W106-R168 PolarHBondContact O-NH2 3.5Å; W106-L171 HydrophobicContact CE3-CD1 4.35Å; W106-L171 HydrophobicContact CH2-CB 4.14Å; W106-L171 HydrophobicContact CH2-CD1 4.23Å; W106-L171 HydrophobicContact CZ3-CB 3.84Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.21Å
107R95.4Very high97Very high172 Ų17245.5 Ų45.565%0.64922%0.217SC*.  trans-81.5148.9179.2-64-171.7-175.6-179-2.3111V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.28Å; G103-R107 PolarHBondContact N-O 3.22Å; D105-R107 PolarHBondContact O-N 3.39Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 3.32Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.48Å; D105-R107 VanDerWaalsContact OD2-CG 3.28Å; D105-R107 WeakPolarHBondContact OD2-CG 3.5Å; D105-R107 IonicContact OD2-NE 3.36Å; R107-L109 PolarHBondContact O-N 3.46Å
108F98Very high97Very high60 Ų6047.4 Ų47.426%0.26323%0.228SC..EExtended strand (participates in β ladder)trans-55.1128.7173.4178.4-98.6000110.4C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.32Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å; F108-L129 HydrophobicContact CE1-CD1 3.97Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; F108-L159 WeakPolarHBondContact CD2-O 3.35Å; F108-L159 HydrophobicContact CE2-CB 4.47Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CD2-CG 4.48Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.42Å
109L97.6Very high96.9Very high107 Ų10749.4 Ų49.456%0.5625%0.254SS*.EExtended strand (participates in β ladder)trans-109.1-48.3174.7-68.5-178.5000111.8D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 2.83Å; G103-L109 VanDerWaalsContact CA-CD1 3.45Å; R107-L109 PolarHBondContact O-N 3.46Å
110R97.7Very high96.9Very high94 Ų9457.1 Ų57.136%0.35529%0.287SS..EExtended strand (participates in β ladder)trans-155.7148.2-171.7-172.3163.2170.1144.88.5111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.3Å; C100-R110 WeakPolarHBondContact CA-O 3.46Å; D101-R110 HydrophobicContact CB-CB 4.35Å; D101-R110 PolarHBondContact N-O 3.33Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.32Å; F108-R110 WeakPolarHBondContact CE2-O 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.16Å; R110-Y112 WeakPolarHBondContact CD-OH 3.45Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 PolarHBondContact NE-OH 3.42Å; R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 3.09Å; R110-E127 IonicContact NH1-OE1 3.63Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.38Å; R110-E127 VanDerWaalsContact NH2-CG 3.35Å; R110-E127 IonicContact NH2-OE1 2.77Å; R110-E127 PolarHBondContact NH2-OE1 3.15Å
111G98.3Very high96.9Very high4 Ų463 Ų634%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-123.9150.5175.200000110.4G99 F108G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.35Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å
112Y98.4Very high96.9Very high40 Ų4062.2 Ų62.216%0.15731%0.314CS..EExtended strand (participates in β ladder)trans-132.4140.4-178.7-52.7-97.4000109.6R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 PolarHBondContact NH2-OH 3.18Å; M97-Y112 HydrophobicContact CE-CD1 4.2Å; M97-Y112 HydrophobicContact CE-CG 4.18Å; M97-Y112 HydrophobicContact SD-CG 4.46Å; Y98-Y112 CarbonylContact C-O 3.59Å; Y98-Y112 WeakPolarHBondContact CA-O 3.19Å; Y98-Y112 VanDerWaalsContact CB-O 3.28Å; Y98-Y112 WeakPolarHBondContact CB-O 3.19Å; G99-Y112 PolarHBondContact N-O 3.42Å; G99-Y112 PolarHBondContact O-N 2.8Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.44Å; D101-Y112 PolarHBondContact OD2-OH 3.24Å; R110-Y112 HydrophobicContact CB-CE2 4.16Å; R110-Y112 WeakPolarHBondContact CD-OH 3.45Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 PolarHBondContact NE-OH 3.42Å
113H98.6Very high97Very high7 Ų762.4 Ų62.43%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-157.2109.1167.2-173.2-81.9000108.2R96 M97 Y115 L125 W132 W146 L155R96-H113 PolarHBondContact NE-NE2 2.93Å; R96-H113 PolarHBondContact NH2-CD2 2.82Å; R96-H113 VanDerWaalsContact NH2-CD2 3.28Å; R96-H113 PolarHBondContact NH2-NE2 2.85Å; M97-H113 WeakPolarHBondContact O-CA 3.29Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.45Å; H113-Y115 AromaticContact ND1-CE2 3.96Å; H113-L125 HydrophobicContact CB-CB 4.01Å; H113-L125 HydrophobicContact CB-CD2 4.16Å; H113-L125 WeakPolarHBondContact O-CB 3.42Å; H113-L125 PolarHBondContact O-N 3.21Å; H113-W132 AromaticContact ND1-CH2 3.88Å; H113-W132 AromaticContact ND1-CZ3 3.9Å; H113-W146 AromaticContact CE1-CH2 3.85Å; H113-W146 AromaticContact CE1-CZ3 3.89Å; H113-L155 HydrophobicContact CB-CD1 4.31Å; H113-L155 VanDerWaalsContact CD2-CD2 3.49Å; H113-L155 WeakPolarHBondContact CD2-CD2 3.14Å; H113-L155 WeakPolarHBondContact NE2-CD2 3.33Å
114Q98.5Very high97.1Very high74 Ų7463.6 Ų63.635%0.34632%0.324SS..EExtended strand (participates in β ladder)trans-144.6146.8-173.762.3-167.262.400111.3R96 M97 I123 A124R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.31Å; R96-Q114 WeakPolarHBondContact CA-O 3.4Å; M97-Q114 HydrophobicContact CB-CG 4.04Å; M97-Q114 VanDerWaalsContact CE-CD 3.46Å; M97-Q114 HydrophobicContact CE-CG 4Å; M97-Q114 PolarHBondContact N-O 2.9Å; M97-Q114 PolarHBondContact O-N 2.72Å; Q114-I123 WeakPolarHBondContact CA-O 3.44Å; Q114-A124 HydrophobicContact CB-CB 3.86Å
115Y98.6Very high97.5Very high22 Ų2259.3 Ų59.39%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-120.8145.2177-78.5-111.1000110.3V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.02Å; V94-Y115 HydrophobicContact CG1-CE1 4.35Å; Q95-Y115 CarbonylContact O-C 3.58Å; Q95-Y115 VanDerWaalsContact O-CA 3.23Å; Q95-Y115 WeakPolarHBondContact O-CA 3.49Å; R96-Y115 HydrophobicContact CB-CD1 4.12Å; R96-Y115 HydrophobicContact CB-CD2 4.43Å; R96-Y115 HydrophobicContact CB-CE1 3.99Å; R96-Y115 HydrophobicContact CB-CE2 4.25Å; R96-Y115 HydrophobicContact CB-CG 4.37Å; R96-Y115 VanDerWaalsContact CD-CZ 3.42Å; R96-Y115 VanDerWaalsContact CD-OH 3.32Å; R96-Y115 WeakPolarHBondContact CD-OH 3.26Å; R96-Y115 HydrophobicContact CG-CD1 4.45Å; R96-Y115 HydrophobicContact CG-CD2 3.96Å; R96-Y115 HydrophobicContact CG-CE1 4.14Å; R96-Y115 HydrophobicContact CG-CE2 3.55Å; R96-Y115 HydrophobicContact CG-CG 4.39Å; R96-Y115 PolarHBondContact NE-OH 2.88Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.45Å; H113-Y115 AromaticContact ND1-CE2 3.96Å; Y115-Y122 WeakPolarHBondContact O-CB 3.37Å; Y115-Y122 PolarHBondContact O-N 3.12Å; Y115-I123 PolarHBondContact N-O 2.86Å; Y115-I123 PolarHBondContact O-N 3.17Å; Y115-W146 AromaticContact CD2-CH2 3.96Å; Y115-W146 HydrophobicContact CD2-CH2 3.96Å; Y115-W146 AromaticContact CE2-CH2 3.66Å; Y115-W146 HydrophobicContact CE2-CH2 3.66Å
116A98.8Very high97.8Very high16 Ų1659.7 Ų59.713%0.13229%0.291CS..EExtended strand (participates in β ladder)trans-125.9148168.300000110.1Q95 K120Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 2.76Å; A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.48Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å
117Y98.6Very high98.2Very high10 Ų1062 Ų624%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-127.4127.7177-174.3-121.1000109.9L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.4Å; L80-Y117 HydrophobicContact CB-CD1 4.3Å; L80-Y117 HydrophobicContact CB-CD2 4.09Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.78Å; L80-Y117 HydrophobicContact CB-CG 4.33Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 4.02Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.43Å; R81-Y117 PolarHBondContact N-OH 3.01Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.47Å; H92-Y117 HydrophobicContact CB-CE2 3.86Å; H92-Y117 WeakPolarHBondContact CB-OH 3.49Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.45Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.41Å; T93-Y117 WeakPolarHBondContact O-CD2 3.44Å; V94-Y117 HydrophobicContact CG2-CD2 3.69Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å; Y117-G119 PolarHBondContact O-N 2.97Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 3.06Å
118D98.1Very high98.3Very high62 Ų6257.5 Ų57.533%0.33229%0.294SS..THydrogen-bonded Turntrans49.140.5-175.4-66.6-20.5000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3Å; H92-D118 WeakPolarHBondContact CA-OD1 3.03Å; H92-D118 IonicContact CE1-OD2 3.44Å; H92-D118 IonicContact CG-OD1 2.8Å; H92-D118 IonicContact CG-OD2 3.23Å; H92-D118 IonicContact ND1-OD1 3.35Å; H92-D118 IonicContact ND1-OD2 2.78Å; H92-D118 PolarHBondContact ND1-OD2 3.44Å; T93-D118 PolarHBondContact N-OD1 2.92Å; T93-D118 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.13Å
119G97.4Very high98.3Very high60 Ų6054.8 Ų54.862%0.61928%0.282SS*.THydrogen-bonded Turntrans77.46.9178.200000115.3Y117Y117-G119 PolarHBondContact O-N 2.97Å
120K98.4Very high98.3Very high161 Ų16157.7 Ų57.770%0.729%0.286SS*.EExtended strand (participates in β ladder)trans-114145.4177.5-62.1179.1-177.3177.10110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.48Å; A116-K120 VanDerWaalsContact CB-O 3.22Å; A116-K120 WeakPolarHBondContact CB-O 3.28Å; Y117-K120 PolarHBondContact N-O 3.19Å; Y117-K120 PolarHBondContact O-N 3.06Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.13Å; K120-Y122 PolarHBondContact O-N 2.83Å
121D98.6Very high98.3Very high124 Ų12454.6 Ų54.666%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-53.5136.3173.6-69.7-27.4000110.7A135D121-A135 HydrophobicContact CB-CB 4.3Å; D121-A135 WeakPolarHBondContact O-CB 3.23Å
122Y98.8Very high98.3Very high9 Ų954.4 Ų54.44%0.03528%0.277CS..EExtended strand (participates in β ladder)trans-113.9-66.3178.7179.9-110.3000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.31Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.71Å; L80-Y122 HydrophobicContact CD2-CE2 3.4Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.4Å; L80-Y122 HydrophobicContact CD2-CG 4.48Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.38Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; Y115-Y122 WeakPolarHBondContact O-CB 3.37Å; Y115-Y122 PolarHBondContact O-N 3.12Å; K120-Y122 PolarHBondContact O-N 2.83Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.35Å; Y122-A138 PolarHBondContact OH-O 3.5Å; Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.49Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.32Å; Y122-T142 PolarHBondContact OH-OG1 2.83Å
123I98.8Very high98.3Very high4 Ų456 Ų562%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-146.7140.8178.5-162.7175.5000110.4Q114 Y115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 3.44Å; Y115-I123 PolarHBondContact N-O 2.86Å; Y115-I123 PolarHBondContact O-N 3.17Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.11Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.44Å; I123-T133 WeakPolarHBondContact CG1-O 3.26Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; I123-K143 HydrophobicContact CD1-CB 3.82Å; I123-W146 HydrophobicContact CD1-CE3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 4.27Å; I123-W146 HydrophobicContact CG2-CZ3 3.98Å
124A98.8Very high98.3Very high31 Ų3156.5 Ų56.526%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-136.3137.4179.400000111.6Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.86Å; A124-W132 WeakPolarHBondContact O-CA 3.2Å; A124-T133 PolarHBondContact N-O 2.78Å; A124-T133 PolarHBondContact O-N 3.13Å
125L98.8Very high98.3Very high16 Ų1655.8 Ų55.88%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-69.3130168.8-174.265000108.6H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 4.01Å; H113-L125 HydrophobicContact CB-CD2 4.16Å; H113-L125 WeakPolarHBondContact O-CB 3.42Å; H113-L125 PolarHBondContact O-N 3.21Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-A152 HydrophobicContact CD1-CB 4.07Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å
126K98.4Very high98.3Very high91 Ų9157.5 Ų57.540%0.39631%0.313SS..  trans-73.8165.9177.5-63.3-161.8-157.5165.30111.3D128 L129 S131 T133K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-L129 PolarHBondContact O-N 3.21Å; K126-S131 WeakPolarHBondContact CB-O 3.12Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.36Å; K126-S131 WeakPolarHBondContact CG-O 3.46Å; K126-S131 PolarHBondContact N-O 3.3Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.3Å; K126-T133 WeakPolarHBondContact CG-OG1 3.3Å
127E97.5Very high98.2Very high137 Ų13767.4 Ų67.464%0.6435%0.347SS*.THydrogen-bonded Turntrans-58.8-24178.7-64.1-179.3-170.100113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.46Å; R110-E127 IonicContact CZ-OE1 3.09Å; R110-E127 IonicContact NH1-OE1 3.63Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.38Å; R110-E127 VanDerWaalsContact NH2-CG 3.35Å; R110-E127 IonicContact NH2-OE1 2.77Å; R110-E127 PolarHBondContact NH2-OE1 3.15Å; E127-L129 PolarHBondContact O-N 3.21Å
128D97.4Very high98.1Very high78 Ų7867.4 Ų67.442%0.41735%0.349SS..THydrogen-bonded Turntrans-70.8-9.1174.76713.2000114K126 R130 S131K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 2.84Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 3.25Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.2Å; D128-S131 WeakPolarHBondContact OD2-CB 3.22Å; D128-S131 PolarHBondContact OD2-OG 2.71Å
129L98.1Very high98.1Very high4 Ų464.5 Ų64.52%0.02133%0.334CS..SBendtrans53.424.6-175.2-51.7179.7000114.3F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.97Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; L125-L129 HydrophobicContact CD2-CB 4.44Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; K126-L129 PolarHBondContact O-N 3.21Å; E127-L129 PolarHBondContact O-N 3.21Å; L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; L129-L159 HydrophobicContact CD2-CD1 4.12Å; L129-E160 HydrophobicContact CD1-CG 3.94Å
130R97.4Very high98.1Very high168 Ų16864.9 Ų64.963%0.63432%0.319SS*.SBendtrans-129.8-31.6-175-71170.8-174.2-123.28.7112.2D128 R156D128-R130 WeakPolarHBondContact O-CG 3.37Å; D128-R130 PolarHBondContact O-N 2.84Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 3.25Å; R130-R156 VanDerWaalsContact NH2-NH1 3.11Å
131S97.4Very high98.1Very high28 Ų2859.9 Ų59.920%0.19630%0.303CS..  trans-119.9162.1-175.673.10000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.12Å; K126-S131 VanDerWaalsContact CD-OG 3.24Å; K126-S131 WeakPolarHBondContact CD-OG 3.36Å; K126-S131 WeakPolarHBondContact CG-O 3.46Å; K126-S131 PolarHBondContact N-O 3.3Å; D128-S131 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-OG 3.2Å; D128-S131 WeakPolarHBondContact OD2-CB 3.22Å; D128-S131 PolarHBondContact OD2-OG 2.71Å
132W98.7Very high98.1Very high1 Ų154.8 Ų54.80%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-118.6141.2-173.9-60.593.2000112H113 I123 A124 L125 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.88Å; H113-W132 AromaticContact ND1-CZ3 3.9Å; I123-W132 HydrophobicContact CD1-CB 4.26Å; I123-W132 HydrophobicContact CD1-CD2 4.35Å; I123-W132 HydrophobicContact CD1-CE3 4.11Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.36Å; I123-W132 HydrophobicContact CG1-CE3 4.03Å; A124-W132 WeakPolarHBondContact O-CA 3.2Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.02Å; L125-W132 HydrophobicContact CD1-CZ2 3.92Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; W132-K143 HydrophobicContact CB-CD 4.07Å; W132-K143 HydrophobicContact CB-CG 3.98Å; W132-K143 PolarHBondContact O-NZ 2.98Å; W132-K143 VanDerWaalsContact O-NZ 3.17Å; W132-W146 HydrophobicContact CD2-CE3 4.1Å; W132-W146 AromaticContact CE2-CE3 3.88Å; W132-W146 AromaticContact CE3-CE3 3.9Å; W132-W146 HydrophobicContact CE3-CE3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 4.05Å; W132-W146 HydrophobicContact CH2-CD2 4.47Å; W132-W146 AromaticContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CE3 3.25Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CZ3 4.04Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 AromaticContact CZ3-CZ3 3.33Å; W132-W146 HydrophobicContact CZ3-CZ3 3.33Å; W132-V151 HydrophobicContact CZ2-CB 4.37Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å
133T98.6Very high98.1Very high74 Ų7456.3 Ų56.345%0.45428%0.283SS..EExtended strand (participates in β ladder)trans-100.3121.2164.8-60.50000108.4I123 A124 K126I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.44Å; I123-T133 WeakPolarHBondContact CG1-O 3.26Å; A124-T133 PolarHBondContact N-O 2.78Å; A124-T133 PolarHBondContact O-N 3.13Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.3Å; K126-T133 WeakPolarHBondContact CG-OG1 3.3Å
134A98.6Very high98.1Very high16 Ų1661.5 Ų61.513%0.13231%0.307CS..EExtended strand (participates in β ladder)trans-107.4132.8175.500000109A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.31Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.19Å
135A98.4Very high98Very high59 Ų5965.8 Ų65.849%0.48832%0.319SS..SBendtrans-75.9-31.9-173.300000113.2D121 Y122D121-A135 HydrophobicContact CB-CB 4.3Å; D121-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 WeakPolarHBondContact O-CB 3.28Å; Y122-A135 PolarHBondContact O-N 3.47Å
136D97.9Very high98Very high59 Ų5967.6 Ų67.632%0.31633%0.325SS..SBendtrans-150.5-173.9-178.467.131000112.8Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.41Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.94Å; Y84-D136 PolarHBondContact OH-OD2 3.46Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.73Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 3.28Å; D136-A139 PolarHBondContact O-N 2.83Å; D136-A139 PolarHBondContact OD1-N 3.43Å; D136-Q140 WeakPolarHBondContact O-CG 3.26Å; D136-Q140 PolarHBondContact O-N 3.46Å
137R97Very high98Very high223 Ų22366.9 Ų66.984%0.84232%0.323SS*.Hα-helixtrans-64-34.3-178.9-173.3177178171.70.1113.6Q140R137-Q140 PolarHBondContact O-N 3.25Å
138A96.9Very high98Very high11 Ų1164.1 Ų64.19%0.09132%0.324CS..Hα-helixtrans-67.8-44.6175.900000109.7Y83 Y84 Y122 D136 Q140 T141Y83-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CD1-CB 4.21Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.65Å; Y84-A138 HydrophobicContact CE2-CB 3.88Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.35Å; Y122-A138 PolarHBondContact OH-O 3.5Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.73Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.42Å; D136-A138 PolarHBondContact OD1-N 3.28Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 2.86Å; A138-T141 WeakPolarHBondContact O-CB 3.4Å; A138-T141 PolarHBondContact O-N 3.19Å
139A98.3Very high98Very high0 Ų063.2 Ų63.20%033%0.328CS..Hα-helixtrans-61-33.4175.200000113.8Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.8Å; Y122-A139 HydrophobicContact CE1-CB 4.49Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.28Å; Y122-A139 WeakPolarHBondContact O-CB 3.42Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 2.83Å; D136-A139 PolarHBondContact OD1-N 3.43Å; A139-T141 PolarHBondContact O-N 2.83Å; A139-T142 PolarHBondContact O-N 3.29Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 2.82Å
140Q98.4Very high98Very high68 Ų6868.3 Ų68.332%0.31835%0.351SS..Hα-helixtrans-58.2-34.2172.4-66.8-64.3-20.100112A134 D136 R137 A138 K143 H144A134-Q140 HydrophobicContact CB-CG 4.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.26Å; D136-Q140 PolarHBondContact O-N 3.46Å; R137-Q140 PolarHBondContact O-N 3.25Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 2.86Å; Q140-K143 WeakPolarHBondContact O-CB 3.43Å; Q140-K143 PolarHBondContact O-N 3.02Å; Q140-H144 PolarHBondContact O-CD2 2.94Å; Q140-H144 PolarHBondContact O-N 3.41Å
141T97.6Very high98Very high57 Ų5761.6 Ų61.635%0.3533%0.329SS..Hα-helixtrans-64.6-44176.8-55.70000111.1Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.07Å; A138-T141 WeakPolarHBondContact O-CB 3.4Å; A138-T141 PolarHBondContact O-N 3.19Å; A139-T141 PolarHBondContact O-N 2.83Å; T141-K145 WeakPolarHBondContact O-CG 3.32Å; T141-K145 PolarHBondContact O-N 2.87Å
142T98.1Very high98.1Very high17 Ų1760.7 Ų60.710%0.10432%0.323CS..Hα-helixtrans-65-43.5173.5-69.60000111.4Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.32Å; Y122-T142 PolarHBondContact OH-OG1 2.83Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; A139-T142 PolarHBondContact O-N 3.29Å; A139-T142 VanDerWaalsContact O-N 3.15Å; T142-H144 PolarHBondContact O-N 2.83Å; T142-K145 WeakPolarHBondContact O-CB 3.33Å; T142-K145 PolarHBondContact O-N 2.88Å; T142-K145 VanDerWaalsContact O-N 3.17Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CZ2 4.06Å; T142-W146 PolarHBondContact O-N 2.82Å
143K98.6Very high98Very high40 Ų4066.5 Ų66.517%0.17435%0.35CS..Hα-helixtrans-53.7-52177.7173.8173.6173.2-179.80111.8I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.82Å; W132-K143 HydrophobicContact CB-CD 4.07Å; W132-K143 HydrophobicContact CB-CG 3.98Å; W132-K143 PolarHBondContact O-NZ 2.98Å; W132-K143 VanDerWaalsContact O-NZ 3.17Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.19Å; A139-K143 PolarHBondContact O-N 2.82Å; Q140-K143 WeakPolarHBondContact O-CB 3.43Å; Q140-K143 PolarHBondContact O-N 3.02Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.71Å; K143-W146 PolarHBondContact O-N 2.8Å; K143-W146 VanDerWaalsContact O-N 3.15Å; K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.29Å; K143-E147 IonicContact NZ-OE1 3.73Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 WeakPolarHBondContact O-CG 3.17Å; K143-E147 PolarHBondContact O-N 2.88Å
144H98.4Very high97.9Very high113 Ų11369.8 Ų69.852%0.52336%0.36SS..Hα-helixtrans-60.7-39.4179.4-68.1-43.7000112.8Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 2.94Å; Q140-H144 PolarHBondContact O-N 3.41Å; T142-H144 PolarHBondContact O-N 2.83Å; H144-E147 IonicContact ND1-OE2 2.94Å; H144-A148 VanDerWaalsContact O-CB 3.32Å; H144-A148 WeakPolarHBondContact O-CB 3.36Å; H144-A148 PolarHBondContact O-N 2.87Å
145K97.9Very high97.9Very high121 Ų12170.1 Ų70.153%0.52636%0.36SS..Hα-helixtrans-63.4-43.4175.2-71.8178.2176.6-175.10111.8Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 3.34Å; T141-K145 WeakPolarHBondContact O-CG 3.32Å; T141-K145 PolarHBondContact O-N 2.87Å; T142-K145 WeakPolarHBondContact O-CB 3.33Å; T142-K145 PolarHBondContact O-N 2.88Å; T142-K145 VanDerWaalsContact O-N 3.17Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.71Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.2Å; K145-A149 PolarHBondContact O-N 2.83Å
146W98.2Very high97.9Very high54 Ų5470.9 Ų70.921%0.20535%0.35CS..Hα-helixtrans-72.7-35-178.5-76.312.2000113H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.85Å; H113-W146 AromaticContact CE1-CZ3 3.89Å; Y115-W146 AromaticContact CD2-CH2 3.96Å; Y115-W146 HydrophobicContact CD2-CH2 3.96Å; Y115-W146 AromaticContact CE2-CH2 3.66Å; Y115-W146 HydrophobicContact CE2-CH2 3.66Å; I123-W146 HydrophobicContact CD1-CE3 4.2Å; I123-W146 HydrophobicContact CG2-CH2 4.27Å; I123-W146 HydrophobicContact CG2-CZ3 3.98Å; W132-W146 HydrophobicContact CD2-CE3 4.1Å; W132-W146 AromaticContact CE2-CE3 3.88Å; W132-W146 AromaticContact CE3-CE3 3.9Å; W132-W146 HydrophobicContact CE3-CE3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 4.05Å; W132-W146 HydrophobicContact CH2-CD2 4.47Å; W132-W146 AromaticContact CH2-CE3 3.25Å; W132-W146 HydrophobicContact CH2-CE3 3.25Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CZ3 4.04Å; W132-W146 AromaticContact CZ3-CE3 3.51Å; W132-W146 HydrophobicContact CZ3-CE3 3.51Å; W132-W146 AromaticContact CZ3-CZ3 3.33Å; W132-W146 HydrophobicContact CZ3-CZ3 3.33Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.38Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CZ2 4.06Å; T142-W146 PolarHBondContact O-N 2.82Å; K143-W146 PolarHBondContact O-N 2.8Å; K143-W146 VanDerWaalsContact O-N 3.15Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.08Å; W146-H150 PolarHBondContact O-N 2.89Å; W146-H150 VanDerWaalsContact O-N 3.1Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.27Å; W146-V151 HydrophobicContact CE3-CG1 4.41Å; W146-V151 HydrophobicContact CG-CB 4.19Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.93Å; W146-V151 PolarHBondContact O-N 2.85Å
147E98.4Very high97.9Very high76 Ų7671.3 Ų71.336%0.35536%0.361SS..Hα-helixtrans-65.1-47.9172-73.2174.116000110.9K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.29Å; K143-E147 IonicContact NZ-OE1 3.73Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 WeakPolarHBondContact O-CG 3.17Å; K143-E147 PolarHBondContact O-N 2.88Å; H144-E147 IonicContact ND1-OE2 2.94Å; E147-A149 PolarHBondContact O-N 2.81Å; E147-H150 PolarHBondContact O-N 3Å; E147-H150 VanDerWaalsContact O-N 3.08Å
148A98.2Very high98Very high80 Ų8063.7 Ų63.766%0.66133%0.333SS*.Hα-helixtrans-62.8-29.9177.300000113.2H144H144-A148 VanDerWaalsContact O-CB 3.32Å; H144-A148 WeakPolarHBondContact O-CB 3.36Å; H144-A148 PolarHBondContact O-N 2.87Å
149A98Very high98.1Very high59 Ų5963.2 Ų63.249%0.48833%0.329SS..THydrogen-bonded Turntrans-92.46177.200000113.7K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.2Å; K145-A149 PolarHBondContact O-N 2.83Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.08Å; E147-A149 PolarHBondContact O-N 2.81Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.48Å; A149-V151 VanDerWaalsContact O-N 3.15Å
150H97.4Very high98.1Very high110 Ų11066.9 Ų66.951%0.50935%0.346SS..THydrogen-bonded Turntrans53.333.9179.7-63-92.7000114.1W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.89Å; W146-H150 VanDerWaalsContact O-N 3.1Å; E147-H150 PolarHBondContact O-N 3Å; E147-H150 VanDerWaalsContact O-N 3.08Å; H150-A152 PolarHBondContact O-N 2.89Å; H150-E153 HydrophobicContact CB-CG 4.48Å; H150-E153 IonicContact CE1-OE1 3.42Å; H150-E153 IonicContact CG-OE1 3.5Å; H150-E153 IonicContact ND1-OE1 2.73Å; H150-E153 PolarHBondContact ND1-OE1 3.24Å; H150-E153 PolarHBondContact O-N 3.46Å; H150-E153 VanDerWaalsContact O-N 3.11Å
151V98.1Very high98Very high28 Ų2864.8 Ų64.817%0.1734%0.343CS..Hα-helixtrans-59.9-33.9-175.2175.80000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.37Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 4.02Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CG1 4.27Å; W146-V151 HydrophobicContact CE3-CG1 4.41Å; W146-V151 HydrophobicContact CG-CB 4.19Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.93Å; W146-V151 PolarHBondContact O-N 2.85Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.48Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.72Å; V151-Q154 PolarHBondContact O-N 3.1Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.19Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 2.75Å; V151-L155 VanDerWaalsContact O-N 3.11Å
152A98.3Very high98.1Very high9 Ų964.8 Ų64.87%0.07434%0.343CS..Hα-helixtrans-60-36.1179.100000112.6L125 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 4.07Å; W132-A152 HydrophobicContact CZ2-CB 4.23Å; H150-A152 PolarHBondContact O-N 2.89Å; A152-L155 PolarHBondContact O-N 3.18Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 2.84Å
153E97.6Very high98.1Very high123 Ų12364 Ų6458%0.57534%0.338SS*.Hα-helixtrans-66.5-42-179.4-64.5174.2-156.800111.6H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.48Å; H150-E153 IonicContact CE1-OE1 3.42Å; H150-E153 IonicContact CG-OE1 3.5Å; H150-E153 IonicContact ND1-OE1 2.73Å; H150-E153 PolarHBondContact ND1-OE1 3.24Å; H150-E153 PolarHBondContact O-N 3.46Å; H150-E153 VanDerWaalsContact O-N 3.11Å; V151-E153 VanDerWaalsContact C-N 3.28Å; V151-E153 PolarHBondContact O-N 2.72Å; E153-R156 PolarHBondContact O-N 3Å; E153-A157 PolarHBondContact O-N 3.12Å
154Q96.7Very high98.1Very high142 Ų14262.5 Ų62.566%0.66433%0.332SS*.Hα-helixtrans-64.9-43.9176.3-63.1-179.7-5.400111.6V151 A157 Y158V151-Q154 PolarHBondContact O-N 3.1Å; Q154-A157 PolarHBondContact O-N 3.11Å; Q154-Y158 PolarHBondContact O-N 3.03Å; Q154-Y158 VanDerWaalsContact O-N 3.15Å
155L98Very high98Very high23 Ų2363.1 Ų63.112%0.1234%0.335CS..Hα-helixtrans-65.8-41.7178-67.8175.7000111.5H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.31Å; H113-L155 VanDerWaalsContact CD2-CD2 3.49Å; H113-L155 WeakPolarHBondContact CD2-CD2 3.14Å; H113-L155 WeakPolarHBondContact NE2-CD2 3.33Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.42Å; W132-L155 VanDerWaalsContact CH2-CD1 3.42Å; W132-L155 HydrophobicContact CZ2-CD1 3.87Å; V151-L155 HydrophobicContact CG1-CD1 3.85Å; V151-L155 HydrophobicContact CG1-CG 4.19Å; V151-L155 WeakPolarHBondContact O-CG 3.48Å; V151-L155 PolarHBondContact O-N 2.75Å; V151-L155 VanDerWaalsContact O-N 3.11Å; A152-L155 PolarHBondContact O-N 3.18Å; L155-A157 PolarHBondContact O-N 3.48Å; L155-Y158 PolarHBondContact O-N 3.14Å; L155-L159 WeakPolarHBondContact O-CB 2.89Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.2Å
156R98.4Very high98Very high76 Ų7660.3 Ų60.329%0.28732%0.322SS..Hα-helixtrans-58.9-46.7175.7-177.1173.6-178.9-136.3-16.4111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; R130-R156 VanDerWaalsContact NH2-NH1 3.11Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.41Å; A152-R156 PolarHBondContact O-N 2.84Å; E153-R156 PolarHBondContact O-N 3Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.22Å; R156-L159 PolarHBondContact O-N 3.25Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.93Å; R156-E160 IonicContact CZ-OE2 3.4Å; R156-E160 IonicContact NE-OE1 3.73Å; R156-E160 PolarHBondContact NE-OE1 3.28Å; R156-E160 IonicContact NE-OE2 3.13Å; R156-E160 PolarHBondContact NE-OE2 2.96Å; R156-E160 IonicContact NH2-OE1 2.93Å; R156-E160 PolarHBondContact NH2-OE1 3.35Å; R156-E160 VanDerWaalsContact NH2-OE1 3.09Å; R156-E160 IonicContact NH2-OE2 2.71Å; R156-E160 PolarHBondContact NH2-OE2 2.8Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 PolarHBondContact O-N 2.89Å
157A98.3Very high98.1Very high67 Ų6757.7 Ų57.755%0.55431%0.312SS*.Hα-helixtrans-58.8-42177.100000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.12Å; Q154-A157 PolarHBondContact O-N 3.11Å; L155-A157 PolarHBondContact O-N 3.48Å; A157-G161 PolarHBondContact O-N 3.18Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.1Very high98Very high63 Ų6359.5 Ų59.525%0.24732%0.315CS..Iπ-helixtrans-65.7-47.1174.4170.5-97.3000112.4Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.92Å; Y98-Y158 HydrophobicContact CD2-CE1 3.92Å; Y98-Y158 AromaticContact CE2-CE1 3.87Å; Y98-Y158 HydrophobicContact CE2-CE1 3.87Å; Q154-Y158 PolarHBondContact O-N 3.03Å; Q154-Y158 VanDerWaalsContact O-N 3.15Å; L155-Y158 PolarHBondContact O-N 3.14Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.22Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.35Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.08Å; Y158-C163 PolarHBondContact O-N 3.1Å
159L98.6Very high97.9Very high2 Ų261.5 Ų61.51%0.0131%0.306CS..Iπ-helixtrans-69.8-42.3-173.5-70.9171.5000112.6G99 F108 L125 L129 L155 R156G99-L159 WeakPolarHBondContact O-CD2 3.47Å; F108-L159 WeakPolarHBondContact CD2-O 3.35Å; F108-L159 HydrophobicContact CE2-CB 4.47Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å; L129-L159 HydrophobicContact CD2-CD1 4.12Å; L155-L159 WeakPolarHBondContact O-CB 2.89Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 3.2Å; R156-L159 PolarHBondContact O-N 3.25Å
160E98.3Very high97.9Very high76 Ų7658.7 Ų58.736%0.35528%0.283SS..Iπ-helixtrans-78.4-26.2179.1-67.5-178.3173.700112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.1Å; F108-E160 HydrophobicContact CD2-CG 4.48Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.07Å; L129-E160 HydrophobicContact CD1-CG 3.94Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.93Å; R156-E160 IonicContact CZ-OE2 3.4Å; R156-E160 IonicContact NE-OE1 3.73Å; R156-E160 PolarHBondContact NE-OE1 3.28Å; R156-E160 IonicContact NE-OE2 3.13Å; R156-E160 PolarHBondContact NE-OE2 2.96Å; R156-E160 IonicContact NH2-OE1 2.93Å; R156-E160 PolarHBondContact NH2-OE1 3.35Å; R156-E160 VanDerWaalsContact NH2-OE1 3.09Å; R156-E160 IonicContact NH2-OE2 2.71Å; R156-E160 PolarHBondContact NH2-OE2 2.8Å; R156-E160 WeakPolarHBondContact O-CB 3.38Å; R156-E160 PolarHBondContact O-N 2.89Å
161G97.9Very high97.8Very high25 Ų2553.5 Ų53.526%0.25826%0.259SS..Iπ-helixtrans-107.5-91.9-177.400000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.18Å; A157-G161 VanDerWaalsContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.14Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 3.15Å; G161-E165 PolarHBondContact O-N 3.15Å
162T97.9Very high97.7Very high57 Ų5758.1 Ų58.135%0.3528%0.278SS..Iπ-helixtrans-53.5-40-170.2-55.40000113.6Y158 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE2-CG2 3.99Å; Y158-T162 PolarHBondContact O-N 3.35Å; T162-E165 PolarHBondContact O-N 3.47Å; T162-W166 PolarHBondContact O-N 3.04Å
163C98.4Very high97.7Very high0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-61-46.1177.5-175.50000111.7M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.94Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.6Å; Y158-C163 HydrophobicContact CD1-CB 4.36Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.08Å; Y158-C163 PolarHBondContact O-N 3.1Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.14Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-W166 PolarHBondContact O-N 3.3Å; C163-L167 WeakPolarHBondContact O-CB 3.4Å; C163-L167 PolarHBondContact O-N 2.96Å
164V98.4Very high97.6Very high8 Ų854.1 Ų54.15%0.04826%0.26CS..Hα-helixtrans-65.9-41178.8173.50000111.1V102 F108 G161 L167 R168V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.75Å; F108-V164 HydrophobicContact CG-CG2 4.42Å; G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 3.15Å; V164-L167 PolarHBondContact O-N 3.2Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.23Å; V164-R168 PolarHBondContact O-N 2.89Å
165E97.9Very high97.5Very high126 Ų12652.5 Ų52.559%0.58925%0.251SS*.Hα-helixtrans-61-47.3176.7-69.4174.1170.500111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 3.15Å; T162-E165 PolarHBondContact O-N 3.47Å; E165-R168 PolarHBondContact O-N 2.86Å; E165-R169 PolarHBondContact O-N 3.15Å
166W97.9Very high97.2Very high62 Ų6260 Ų6024%0.23529%0.285CS..Hα-helixtrans-64.4-44.1176.1-81.3112.1000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.02Å; M4-W166 HydrophobicContact SD-CB 4.36Å; Y58-W166 AromaticContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CH2 3.55Å; Y58-W166 HydrophobicContact CD2-CZ2 4.32Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.27Å; Y58-W166 AromaticContact CE2-CH2 3.79Å; Y58-W166 HydrophobicContact CE2-CH2 3.79Å; Y58-W166 HydrophobicContact CE2-CZ2 4.43Å; Y58-W166 AromaticContact CE2-CZ3 3.68Å; Y58-W166 HydrophobicContact CE2-CZ3 3.68Å; T162-W166 PolarHBondContact O-N 3.04Å; C163-W166 PolarHBondContact O-N 3.3Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.95Å; W166-R169 PolarHBondContact O-N 2.81Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.94Å; W166-Y170 HydrophobicContact CZ3-CE1 3.94Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 VanDerWaalsContact O-CG 3.22Å; W166-Y170 PolarHBondContact O-N 3.18Å
167L98.3Very high96.9Very high0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-59-43.9177.9177.750.2000111.4M4 V27 V102 C163 V164 Y170 L171M4-L167 HydrophobicContact CB-CB 4.15Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.13Å; M4-L167 HydrophobicContact CB-CG 4.3Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.23Å; V102-L167 HydrophobicContact CB-CD2 4.44Å; V102-L167 HydrophobicContact CG1-CD2 4Å; V102-L167 HydrophobicContact CG2-CD2 3.72Å; V102-L167 HydrophobicContact CG2-CG 4.28Å; C163-L167 WeakPolarHBondContact O-CB 3.4Å; C163-L167 PolarHBondContact O-N 2.96Å; V164-L167 PolarHBondContact O-N 3.2Å; L167-Y170 PolarHBondContact O-N 3.17Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CD1 3.36Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.44Å
168R96.9Very high96.7Very high113 Ų11355.5 Ų55.543%0.42626%0.259SS..Hα-helixtrans-60.8-45.5174.7-72.9173.9-177.7-177.71.5112.1W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CE3-CG 4.12Å; W106-R168 PolarHBondContact O-NE 2.99Å; W106-R168 VanDerWaalsContact O-NE 3.14Å; W106-R168 PolarHBondContact O-NH2 3.5Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.23Å; V164-R168 PolarHBondContact O-N 2.89Å; E165-R168 PolarHBondContact O-N 2.86Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.95Å; R168-Y170 PolarHBondContact O-N 3.17Å; R168-L171 PolarHBondContact O-N 3.33Å; R168-E172 PolarHBondContact O-N 3.48Å
169R96.9Very high96.5Very high122 Ų12255.7 Ų55.746%0.4626%0.262SS..Hα-helixtrans-59.5-45.7176.6179.5178.9174.7117.5-4.9111.4E54 E165 W166 E172 N173E54-R169 IonicContact OE1-CZ 3.86Å; E54-R169 IonicContact OE1-NE 3.51Å; E54-R169 PolarHBondContact OE1-NE 3.23Å; E54-R169 IonicContact OE1-NH2 3.76Å; E54-R169 PolarHBondContact OE1-NH2 3.18Å; E54-R169 IonicContact OE2-CZ 3.45Å; E54-R169 IonicContact OE2-NE 3.13Å; E54-R169 IonicContact OE2-NH2 3.25Å; E54-R169 PolarHBondContact OE2-NH2 3.04Å; E165-R169 PolarHBondContact O-N 3.15Å; W166-R169 PolarHBondContact O-N 2.81Å; R169-E172 PolarHBondContact O-N 3.34Å; R169-N173 WeakPolarHBondContact O-CB 3.5Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-OD1 2.94Å
170Y97.6Very high96.3Very high1 Ų159.3 Ų59.30%0.00428%0.276CS..Hα-helixtrans-66.4-37.8179-61.3-26.3000112.6M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.77Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.99Å; F32-Y170 HydrophobicContact CD2-CE2 4.5Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 3.99Å; F32-Y170 HydrophobicContact CZ-CD2 4.29Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å; W50-Y170 HydrophobicContact CH2-CG 4.33Å; W50-Y170 AromaticContact CZ3-CD1 3.95Å; W50-Y170 HydrophobicContact CZ3-CD1 3.95Å; W50-Y170 AromaticContact CZ3-CG 3.8Å; W50-Y170 HydrophobicContact CZ3-CG 3.8Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å; Y58-Y170 HydrophobicContact CE2-CE1 4.43Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.23Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 3.24Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CE3-CD1 4.41Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.4Å; W166-Y170 AromaticContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.48Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.94Å; W166-Y170 HydrophobicContact CZ3-CE1 3.94Å; W166-Y170 WeakPolarHBondContact O-CD2 3.21Å; W166-Y170 VanDerWaalsContact O-CG 3.22Å; W166-Y170 PolarHBondContact O-N 3.18Å; L167-Y170 PolarHBondContact O-N 3.17Å; R168-Y170 PolarHBondContact O-N 3.17Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.95Å; Y170-N173 PolarHBondContact O-N 2.87Å; Y170-G174 PolarHBondContact O-N 3.05Å; Y170-L178 WeakPolarHBondContact O-CD1 3.49Å
171L96.3Very high96.1Very high1 Ų158.5 Ų58.51%0.00528%0.276CS..Hα-helixtrans-68.4-30.4176.3-75.7162.6000112.8H2 V27 W106 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.41Å; H2-L171 VanDerWaalsContact CB-CD1 3.41Å; H2-L171 HydrophobicContact CB-CD2 4.23Å; H2-L171 HydrophobicContact CB-CG 4.47Å; V27-L171 HydrophobicContact CG1-CD2 4Å; V27-L171 HydrophobicContact CG1-CG 4.23Å; W106-L171 HydrophobicContact CE3-CD1 4.35Å; W106-L171 HydrophobicContact CH2-CB 4.14Å; W106-L171 HydrophobicContact CH2-CD1 4.23Å; W106-L171 HydrophobicContact CZ3-CB 3.84Å; W106-L171 HydrophobicContact CZ3-CD1 3.45Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.45Å; W106-L171 HydrophobicContact CZ3-CG 4.21Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.93Å; L167-L171 HydrophobicContact CG-CD1 3.74Å; L167-L171 WeakPolarHBondContact O-CB 3.43Å; L167-L171 WeakPolarHBondContact O-CD1 3.36Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.44Å; R168-L171 PolarHBondContact O-N 3.33Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.21Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 3.3Å; L171-L178 HydrophobicContact CD2-CB 3.83Å; L171-L178 HydrophobicContact CD2-CD1 4.07Å; L171-Q179 HydrophobicContact CD2-CG 4.37Å; L171-Q179 PolarHBondContact O-NE2 2.92Å
172E95.9Very high96Very high125 Ų12559.9 Ų59.958%0.58428%0.278SS*.Hα-helixtrans-72.7-48.9171-170.560.2-150.200110.9R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.48Å; R169-E172 PolarHBondContact O-N 3.34Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.95Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.43Å; E172-K175 WeakPolarHBondContact O-CB 3.01Å; E172-K175 PolarHBondContact O-N 3.06Å
173N96.5Very high96Very high46 Ų4659.4 Ų59.425%0.24628%0.279CS..Hα-helixtrans-58.6-42.9178.8-70.3-2.4000112.5Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.84Å; Q53-N173 PolarHBondContact NE2-OD1 3.13Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.12Å; E54-N173 PolarHBondContact OE1-ND2 3.19Å; E54-N173 VanDerWaalsContact OE1-ND2 3.15Å; R169-N173 WeakPolarHBondContact O-CB 3.5Å; R169-N173 PolarHBondContact O-N 2.91Å; R169-N173 PolarHBondContact O-OD1 2.94Å; Y170-N173 PolarHBondContact O-N 2.87Å
174G95.9Very high96Very high2 Ų259.8 Ų59.82%0.02128%0.282CS..THydrogen-bonded Turntrans-101.119.4-176.300000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.05Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.43Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.29Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 2.88Å
175K94.5Very high96Very high108 Ų10866.1 Ų66.147%0.4731%0.309SS..Hα-helixtrans-48.6-46.1-171.2-177.4173.7-175.7174.60113.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.21Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 3.3Å; E172-K175 WeakPolarHBondContact O-CB 3.01Å; E172-K175 PolarHBondContact O-N 3.06Å; K175-T177 PolarHBondContact O-N 3.45Å; K175-Q179 WeakPolarHBondContact O-CB 3.23Å; K175-Q179 PolarHBondContact O-N 3.5Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
176E92.8Very high96Very high179 Ų17961.9 Ų61.984%0.83629%0.292SS*.Hα-helixtrans-64.8-25.1-179.5-63.1-175.5168.600113.7G174G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.6Very high95.9Very high45 Ų4562.7 Ų62.728%0.27630%0.298SS..Hα-helixtrans-101.6-42.3-178.5-54.60000112.3G174 K175 R180G174-T177 PolarHBondContact O-N 3.29Å; K175-T177 PolarHBondContact O-N 3.45Å; T177-R180 WeakPolarHBondContact O-CD 3.36Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.33Å; T177-R180 PolarHBondContact O-NE 3.2Å
178L93.7Very high95.7Very high4 Ų464.4 Ų64.42%0.02131%0.306CS..Hα-helixtrans-85.3-28.8-171.8-63.3172000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.14Å; V27-L178 HydrophobicContact CG1-CD1 3.89Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å; T30-L178 HydrophobicContact CG2-CD2 4.1Å; W50-L178 HydrophobicContact CD2-CD1 4.42Å; W50-L178 HydrophobicContact CH2-CD1 4.26Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.31Å; Y170-L178 WeakPolarHBondContact O-CD1 3.49Å; L171-L178 HydrophobicContact CD2-CB 3.83Å; L171-L178 HydrophobicContact CD2-CD1 4.07Å; G174-L178 WeakPolarHBondContact O-CB 3.42Å; G174-L178 PolarHBondContact O-N 2.88Å
179Q92.3Very high95.6Very high67 Ų6760.6 Ų60.631%0.31330%0.296SS..SBendtrans-104.113.1178.9-53.9-18033.900112.1L171 K175L171-Q179 HydrophobicContact CD2-CG 4.37Å; L171-Q179 PolarHBondContact O-NE2 2.92Å; K175-Q179 WeakPolarHBondContact O-CB 3.23Å; K175-Q179 PolarHBondContact O-N 3.5Å; K175-Q179 VanDerWaalsContact O-N 3.12Å
180R94.4Very high95.5Very high78 Ų7858 Ų5829%0.29429%0.289SS..  trans-77.4159171.980.5-171.7171.4178.14.1110.3T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.36Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.33Å; T177-R180 PolarHBondContact O-NE 3.2Å; R180-D182 IonicContact CZ-OD2 3.76Å; R180-D182 IonicContact NE-OD2 2.71Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 WeakPolarHBondContact O-CD1 3.36Å; R180-G238 PolarHBondContact NH2-O 3.45Å
181T95.3Very high95.3Very high59 Ų5962.2 Ų62.236%0.36231%0.308SS..  trans-138.1116.7170.8-37.20000108.8Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.41Å; T181-Y208 WeakPolarHBondContact CG2-O 3.34Å; T181-E263 HydrophobicContact CG2-CB 4.07Å; T181-E263 HydrophobicContact CG2-CG 4.16Å
182D96.6Very high95Very high54 Ų5465.9 Ų65.929%0.28934%0.339SS..BIsolated β-bridgetrans-106116.3-177.8-62.9-36.2000108.5R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.76Å; R180-D182 IonicContact NE-OD2 2.71Å; R180-D182 PolarHBondContact NE-OD2 2.9Å; D182-F207 VanDerWaalsContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CA 3.35Å; D182-F207 WeakPolarHBondContact O-CB 3.04Å; D182-Y208 PolarHBondContact N-O 2.75Å; D182-Y208 PolarHBondContact O-N 2.96Å; D182-H262 PolarHBondContact O-CE1 3.45Å
183A97.9Very high94.7Very high47 Ų4764.4 Ų64.439%0.38834%0.338SS..  trans-66.2140.8-179.900000111.6K185 G264 L265A183-K185 PolarHBondContact O-N 2.85Å; A183-G264 WeakPolarHBondContact CB-O 3.2Å; A183-L265 HydrophobicContact CB-CD2 4Å
184P98.3Very high94.4Very high9 Ų964.7 Ų64.76%0.05834%0.344CS..  trans-65131.4179.226.9-34.8000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 2.87Å; P184-A204 HydrophobicContact CB-CB 3.9Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 4Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.21Å
185K98Very high94Very high141 Ų14171.8 Ų71.861%0.61338%0.381SS*.EExtended strand (participates in β ladder)trans-76.5109.1164.5-64.7177.6-173.6169.40107.7A183 L205A183-K185 PolarHBondContact O-N 2.85Å; K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 PolarHBondContact N-O 3.42Å; K185-L205 PolarHBondContact O-N 3.09Å
186T97.5Very high93.9Very high37 Ų3773.6 Ų73.623%0.22739%0.391CS..EExtended strand (participates in β ladder)trans-105.5144.1-175.257.20000112P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 2.87Å; T186-W203 WeakPolarHBondContact CA-O 3.27Å; T186-W203 WeakPolarHBondContact CB-O 3.49Å; T186-A204 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.28Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; T186-L269 HydrophobicContact CG2-CD1 4.42Å; T186-L271 HydrophobicContact CG2-CD1 4.09Å
187H95.1Very high93.9Very high78 Ų7869.5 Ų69.536%0.36137%0.372SS..EExtended strand (participates in β ladder)trans-155.5164.417168.3-78.1000110.1W203H187-W203 AromaticContact CD2-CD1 3.9Å; H187-W203 WeakPolarHBondContact CE1-CB 3.23Å; H187-W203 AromaticContact CE1-CD1 3.79Å; H187-W203 AromaticContact CE1-CG 3.49Å; H187-W203 VanDerWaalsContact CE1-CG 3.49Å; H187-W203 PolarHBondContact N-O 2.98Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.57Å; H187-W203 AromaticContact NE2-NE1 3.96Å; H187-W203 PolarHBondContact O-N 2.89Å
188M95.6Very high94Very high36 Ų3667.4 Ų67.418%0.17736%0.359CS..EExtended strand (participates in β ladder)trans-113.1143.6175-78.6-167.4162.500111.3R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.2Å; M188-C202 HydrophobicContact CE-CB 4.49Å; M188-W216 HydrophobicContact CE-CH2 3.16Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; M188-W216 HydrophobicContact SD-CH2 4.19Å; M188-C258 HydrophobicContact CE-CB 3.46Å; M188-C258 VanDerWaalsContact CE-CB 3.46Å; M188-L271 HydrophobicContact CE-CB 3.86Å; M188-L271 WeakPolarHBondContact CE-O 3.4Å; M188-L271 HydrophobicContact CG-CB 4.47Å; M188-L271 HydrophobicContact SD-CB 4.45Å; M188-W273 WeakPolarHBondContact SD-CA 3.31Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 3.26Å
189T94.6Very high94.1Very high34 Ų3468.3 Ų68.321%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-120.2142.9170.850.60000109R201 W203T189-R201 PolarHBondContact N-O 3.44Å; T189-R201 PolarHBondContact O-N 3.44Å; T189-R201 WeakPolarHBondContact OG1-CB 3.18Å; T189-R201 PolarHBondContact OG1-O 3.1Å; T189-W203 PolarHBondContact OG1-NE1 3.4Å
190H94.4Very high94.4Very high67 Ų6765.1 Ų65.131%0.3135%0.35SS..EExtended strand (participates in β ladder)trans-121.8127.9178.3165.3-78000108.6A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H190-T199 WeakPolarHBondContact CA-O 3.4Å; H190-L200 HydrophobicContact CB-CD2 4Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 AromaticContact CD2-CZ2 3.97Å; H190-W273 AromaticContact CG-CE2 3.97Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.97Å
191H92.9Very high94.5Very high89 Ų8963.9 Ų63.941%0.41235%0.345SS..EExtended strand (participates in β ladder)trans-127.5112.5178.6-59.5-75000109V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.69Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; H191-T199 PolarHBondContact N-O 2.9Å; H191-T199 PolarHBondContact O-N 3.22Å; H191-R201 PolarHBondContact CD2-NH1 2.63Å; H191-R201 VanDerWaalsContact CD2-NH1 3.33Å; H191-R201 PolarHBondContact NE2-NH1 3.02Å
192A91.2Very high94.6Very high79 Ų7961 Ų6165%0.65333%0.328SS*.EExtended strand (participates in β ladder)trans-65.1127.5172.500000109.4
193V88.8Confident94.7Very high93 Ų9360.7 Ų60.756%0.56432%0.323SS*.  trans-98.5-41.5177.2-179.20000109.6H191 E197 T199H191-V193 PolarHBondContact O-N 2.69Å; V193-E197 PolarHBondContact N-O 3.23Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.44Å
194S89.9Confident94.7Very high52 Ų5258.4 Ų58.436%0.36430%0.304SS..SBendtrans-148.6-178.9174.171.40000110.2H196 E197S194-H196 PolarHBondContact O-N 3.18Å; S194-H196 PolarHBondContact OG-N 3.12Å; S194-E197 PolarHBondContact N-O 3.42Å; S194-E197 PolarHBondContact O-N 3.44Å; S194-E197 VanDerWaalsContact O-O 3.05Å; S194-E197 PolarHBondContact OG-N 3.3Å
195D87.6Confident94.7Very high152 Ų15260.2 Ų60.281%0.81331%0.313SS*.SBendtrans-63-19.8172.7-65.3-24000112.5S250D195-S250 PolarHBondContact O-OG 2.98Å
196H91.6Very high94.7Very high146 Ų14655.5 Ų55.568%0.67630%0.298SS*.SBendtrans-105.5-15.1-175-56.1-48.8000114S194 P249 S250S194-H196 PolarHBondContact O-N 3.18Å; S194-H196 PolarHBondContact OG-N 3.12Å; H196-P249 CarbonylContact O-C 3.44Å; H196-P249 WeakPolarHBondContact O-CA 3.15Å; H196-S250 PolarHBondContact O-N 3.36Å; H196-S250 PolarHBondContact O-OG 3.28Å
197E94.3Very high94.7Very high92 Ų9253.7 Ų53.743%0.4329%0.287SS..EExtended strand (participates in β ladder)trans-144.4143.9-171.4-66.2179.7172.900112.6V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.23Å; S194-E197 PolarHBondContact N-O 3.42Å; S194-E197 PolarHBondContact O-N 3.44Å; S194-E197 VanDerWaalsContact O-O 3.05Å; S194-E197 PolarHBondContact OG-N 3.3Å; E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; E197-V248 WeakPolarHBondContact CA-O 3.49Å; E197-S250 PolarHBondContact N-OG 2.89Å
198A94.5Very high94.8Very high1 Ų150.2 Ų50.21%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-131.2154.8171.400000110.7H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H191-A198 CarbonylContact O-C 3.56Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; A198-V247 WeakPolarHBondContact O-CA 3.28Å; A198-V248 HydrophobicContact CB-CG2 4.34Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 PolarHBondContact O-N 2.73Å
199T96.3Very high94.8Very high23 Ų2349.5 Ų49.514%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-97.7121.4168.1-550000109H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.4Å; H191-T199 PolarHBondContact N-O 2.9Å; H191-T199 PolarHBondContact O-N 3.22Å; V193-T199 VanDerWaalsContact CG2-OG1 3.32Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.44Å; T199-A245 HydrophobicContact CG2-CB 3.92Å; T199-V246 WeakPolarHBondContact CA-O 3.49Å
200L96.9Very high94.9Very high0 Ų048.6 Ų48.60%026%0.264CS..EExtended strand (participates in β ladder)trans-93.7128.7165.1-63.9-178.3000108.8H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 4Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.43Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; L200-V246 HydrophobicContact CB-CG1 4.34Å; L200-V246 PolarHBondContact N-O 2.83Å; L200-V246 PolarHBondContact O-N 3.04Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.42Å; L200-E253 HydrophobicContact CD2-CB 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.28Å; L200-W273 HydrophobicContact CD1-CB 4.26Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å
201R97.5Very high95.1Very high52 Ų5252.4 Ų52.420%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-124.2122.9175.7179.8-175-59113.9-0.3110.5M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.2Å; T189-R201 PolarHBondContact N-O 3.44Å; T189-R201 PolarHBondContact O-N 3.44Å; T189-R201 WeakPolarHBondContact OG1-CB 3.18Å; T189-R201 PolarHBondContact OG1-O 3.1Å; H191-R201 PolarHBondContact CD2-NH1 2.63Å; H191-R201 VanDerWaalsContact CD2-NH1 3.33Å; H191-R201 PolarHBondContact NE2-NH1 3.02Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.27Å; R201-A244 WeakPolarHBondContact CA-O 3.34Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.09Å
202C97.8Very high95.3Very high0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-95.5122.4177.1-1770000109.4M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.74Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.43Å; C202-A244 PolarHBondContact N-O 3.15Å; C202-A244 PolarHBondContact O-N 2.87Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.5Å; C202-C258 WeakPolarHBondContact SG-CB 3.42Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 3.45Å
203W98.2Very high95.6Very high46 Ų4647.7 Ų47.717%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-106.7141.2-178.9-68.288.7000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.27Å; T186-W203 WeakPolarHBondContact CB-O 3.49Å; H187-W203 AromaticContact CD2-CD1 3.9Å; H187-W203 WeakPolarHBondContact CE1-CB 3.23Å; H187-W203 AromaticContact CE1-CD1 3.79Å; H187-W203 AromaticContact CE1-CG 3.49Å; H187-W203 VanDerWaalsContact CE1-CG 3.49Å; H187-W203 PolarHBondContact N-O 2.98Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.57Å; H187-W203 AromaticContact NE2-NE1 3.96Å; H187-W203 PolarHBondContact O-N 2.89Å; T189-W203 PolarHBondContact OG1-NE1 3.4Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.84Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.71Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å
204A98.4Very high96Very high0 Ų043.6 Ų43.60%023%0.226CC..EExtended strand (participates in β ladder)trans-124.1121.5163.400000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.9Å; T186-A204 HydrophobicContact CG2-CB 4.37Å; A204-F207 HydrophobicContact CB-CD1 4.12Å; A204-F207 HydrophobicContact CB-CE1 3.9Å; A204-F207 WeakPolarHBondContact O-CE1 3.29Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.26Å; A204-K242 PolarHBondContact N-O 2.69Å; A204-K242 PolarHBondContact O-N 2.84Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.3Very high96.4Very high47 Ų4743 Ų4325%0.24622%0.22CC..EExtended strand (participates in β ladder)trans-127.6155.7-175.5-59.1179.8000111.1K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.5Å; K185-L205 PolarHBondContact N-O 3.42Å; K185-L205 PolarHBondContact O-N 3.09Å; W203-L205 HydrophobicContact CE3-CD2 3.98Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.22Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å
206S97.5Very high96.9Very high41 Ų4135.9 Ų35.929%0.28718%0.182SC..EExtended strand (participates in β ladder)trans54.243171-55.40000114F240S206-F240 PolarHBondContact N-O 2.98Å
207F97.9Very high97.1Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-108.7158.217760.8-89.9000112.4D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.32Å; D182-F207 WeakPolarHBondContact O-CA 3.35Å; D182-F207 WeakPolarHBondContact O-CB 3.04Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.16Å; A204-F207 HydrophobicContact CB-CD1 4.12Å; A204-F207 HydrophobicContact CB-CE1 3.9Å; A204-F207 WeakPolarHBondContact O-CE1 3.29Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.22Å; F207-P209 VanDerWaalsContact CD2-O 3.28Å; F207-P209 WeakPolarHBondContact CD2-O 3.09Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.4Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.34Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.32Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 3.28Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.59Å
208Y96.8Very high97.3Very high4 Ų430.4 Ų30.42%0.01615%0.153CC..BIsolated β-bridgetrans-151.9136.1173.4-178.8-85.5000109T30 R180 T181 D182 G238 F240 H262T30-Y208 PolarHBondContact OG1-OH 2.9Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 WeakPolarHBondContact O-CD1 3.36Å; T181-Y208 WeakPolarHBondContact CA-O 3.41Å; T181-Y208 WeakPolarHBondContact CG2-O 3.34Å; D182-Y208 PolarHBondContact N-O 2.75Å; D182-Y208 PolarHBondContact O-N 2.96Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CE2-CE2 4.27Å; Y208-H262 PolarHBondContact O-CE1 2.97Å
209P96Very high97.2Very high21 Ų2135.1 Ų35.114%0.13618%0.179CC..SBendcis-74.7-176532.4-37.6000114.2F207 E211 H262F207-P209 VanDerWaalsContact CD2-O 3.28Å; F207-P209 WeakPolarHBondContact CD2-O 3.09Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.75Å; P209-H262 PolarHBondContact O-NE2 3.27Å
210A97Very high97Very high15 Ų1536.3 Ų36.312%0.12420%0.196CC..SBendtrans-71.3-23.6-177.300000113.8D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.17Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.39Å; D29-A210 PolarHBondContact OD2-N 3.47Å; A210-I212 PolarHBondContact O-N 3.33Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.72Å
211E96.8Very high96.9Very high148 Ų14842.5 Ų42.569%0.69222%0.224SC*.  trans-67.6114-178.5-170.961.3-152.800110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.75Å; E211-H262 PolarHBondContact O-CD2 2.04Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I97.9Very high96.8Very high10 Ų1044.8 Ų44.85%0.05124%0.24CC..  trans-150.4143.2-179.4-164.3170.9000109.9P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.07Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.02Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 3.33Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.15Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.31Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.25Å; I212-H262 HydrophobicContact CD1-CB 4.27Å; I212-H262 HydrophobicContact CG1-CB 4.04Å
213T97.9Very high96.6Very high59 Ų5945.4 Ų45.436%0.36224%0.243SC..EExtended strand (participates in β ladder)trans-115.1122.6176.1-58.60000110T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.03Å; T213-V260 WeakPolarHBondContact O-CA 3.34Å; T213-Q261 PolarHBondContact N-O 2.91Å; T213-Q261 PolarHBondContact O-N 3.34Å
214L97.9Very high96.1Very high6 Ų648.3 Ų48.33%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-116.9122.5172.8-86.961.2000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.28Å; I212-L214 HydrophobicContact CD1-CD1 3.72Å; I212-L214 HydrophobicContact CG1-CD1 3.67Å; I212-L214 HydrophobicContact CG2-CD1 4.15Å; L214-L229 HydrophobicContact CB-CD1 4.11Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.35Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; L214-H259 WeakPolarHBondContact CA-O 3.17Å; L214-V260 HydrophobicContact CD1-CG1 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.31Å
215T97.2Very high95.6Very high40 Ų4057.4 Ų57.425%0.24531%0.309CS..EExtended strand (participates in β ladder)trans-131149.5175.658.90000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.03Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.44Å; T215-H259 PolarHBondContact N-O 3.34Å; T215-H259 PolarHBondContact O-N 2.89Å
216W97.7Very high95Very high3 Ų360.6 Ų60.61%0.01133%0.326CS..EExtended strand (participates in β ladder)trans-105.1137.8170.8-82.3102.4000110.2M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.16Å; M188-W216 HydrophobicContact CE-CZ2 3.96Å; M188-W216 HydrophobicContact CE-CZ3 3.58Å; M188-W216 HydrophobicContact SD-CH2 4.19Å; L200-W216 HydrophobicContact CB-CH2 3.56Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.43Å; L200-W216 HydrophobicContact CD1-CH2 4.05Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-W216 HydrophobicContact CG-CH2 4.47Å; C202-W216 HydrophobicContact CB-CZ2 3.74Å; W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 3.07Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.42Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.82Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.95Å; W216-V246 HydrophobicContact CH2-CG1 4.24Å; W216-V246 HydrophobicContact CZ2-CG1 4.05Å; W216-V246 HydrophobicContact CZ3-CG1 4.15Å; W216-T257 WeakPolarHBondContact CA-O 3.44Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.16Å; W216-C258 HydrophobicContact CZ3-CB 4.16Å
217Q97.4Very high94.8Very high43 Ų4359.8 Ų59.820%0.20132%0.319CS..EExtended strand (participates in β ladder)trans-124.2147.4171.4-68.9-173.3-10.200110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.48Å; Q217-D222 PolarHBondContact NE2-OD1 3.15Å; Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.3Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.32Å; Q217-H259 PolarHBondContact OE1-NE2 2.95Å
218R96.5Very high94.7Very high79 Ų7965.1 Ų65.130%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-118.8116.5168.3-178.1-178.467.8-164.4-5108.4G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.78Å; R218-E221 PolarHBondContact N-O 3.42Å; R218-E221 PolarHBondContact O-N 3.23Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; R218-R255 WeakPolarHBondContact CA-O 3.23Å; R218-R255 HydrophobicContact CG-CB 4.33Å; R218-Y256 HydrophobicContact CB-CD1 4.12Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.4Å; R218-Y256 HydrophobicContact CG-CD2 4.43Å; R218-Y256 HydrophobicContact CG-CE1 4.2Å; R218-Y256 HydrophobicContact CG-CE2 4.09Å
219D94.1Very high94.7Very high101 Ų10169.1 Ų69.154%0.5437%0.366SS..THydrogen-bonded Turntrans49.530.8-174.9-53.7-48.3000114.2R255D219-R255 PolarHBondContact N-O 3.21Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.28Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.41Å
220G91.3Very high94.7Very high48 Ų4869.8 Ų69.850%0.49537%0.369SS..THydrogen-bonded Turntrans91.6-2.9-17800000115.6R218R218-G220 PolarHBondContact O-N 2.78Å
221E95.2Very high94.7Very high130 Ų13077.3 Ų77.361%0.60740%0.402SS*.EExtended strand (participates in β ladder)trans-95.9128.2175.7-63.5-175.2165.500111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.35Å; R218-E221 PolarHBondContact N-O 3.42Å; R218-E221 PolarHBondContact O-N 3.23Å; E221-Q223 PolarHBondContact O-NE2 3.48Å
222D95.1Very high94.8Very high99 Ų9972.4 Ų72.453%0.52938%0.382SS..EExtended strand (participates in β ladder)trans-62.1136.8-179.8-69-26.8000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.48Å; Q217-D222 PolarHBondContact NE2-OD1 3.15Å
223Q94.3Very high94.7Very high13 Ų1376.2 Ų76.26%0.06140%0.396CS..  trans-109.937.2-177.3-58-60.4-72.600112.5W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 3.07Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-NE2 3.48Å; Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.21Å; Q223-D226 PolarHBondContact O-N 2.91Å; Q223-T227 WeakPolarHBondContact O-CB 3.4Å; Q223-T227 PolarHBondContact O-N 3.32Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 2.8Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å
224T86.8Confident94.7Very high108 Ų10877.9 Ų77.966%0.66341%0.408SS*.THydrogen-bonded Turntrans-59-36.3-169.3-45.90000114.2
225Q87.3Confident94.6Very high191 Ų19180 Ų8089%0.89343%0.426SS*.THydrogen-bonded Turntrans-75.3-31.5-178.5-67.6-174.31.900113.2Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.32Å; Q223-Q225 PolarHBondContact O-N 3.21Å; Q225-T227 VanDerWaalsContact C-N 3.33Å
226D86.1Confident94.4Very high113 Ų11381.8 Ų81.860%0.60445%0.452SS*.THydrogen-bonded Turntrans-93.32.2-178-57.6-45.9000112.3Q223Q223-D226 PolarHBondContact O-N 2.91Å
227T93.9Very high94.1Very high24 Ų2486.6 Ų86.615%0.14748%0.478CS..EExtended strand (participates in β ladder)trans-95.9121.3-179.5-64.20000110.8Q223 Q225 L229 A244 A245Q223-T227 WeakPolarHBondContact O-CB 3.4Å; Q223-T227 PolarHBondContact O-N 3.32Å; Q223-T227 VanDerWaalsContact O-N 3.15Å; Q223-T227 PolarHBondContact O-OG1 2.8Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 HydrophobicContact CG2-CB 4.31Å; T227-L229 PolarHBondContact O-N 3.37Å; T227-A244 HydrophobicContact CG2-CB 4Å; T227-A245 CarbonylContact C-O 3.51Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å
228E96.1Very high93.8Very high113 Ų11386.5 Ų86.553%0.52849%0.488SS..EExtended strand (participates in β ladder)trans-77.6106.6163.1-173.4-174.7-17000108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.24Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; E228-A244 CarbonylContact O-C 3.51Å; E228-A244 WeakPolarHBondContact O-CA 3.36Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.39Å; E228-A245 PolarHBondContact O-N 2.88Å
229L96.4Very high93.8Very high88 Ų8883.3 Ų83.346%0.46148%0.478SS..EExtended strand (participates in β ladder)trans-113119.8179.2-174.867.6000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.11Å; T227-L229 HydrophobicContact CG2-CB 4.31Å; T227-L229 PolarHBondContact O-N 3.37Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V96.6Very high94Very high34 Ų3479.7 Ų79.721%0.20646%0.457CS..PPolyproline II helixtrans-84.4152.8174.6-64.40000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.49Å; V230-K242 WeakPolarHBondContact O-CG 3.42Å; V230-K242 PolarHBondContact O-NZ 3.01Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 4Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.78Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.21Å; V230-W243 PolarHBondContact N-O 3.49Å
231E96.7Very high94.3Very high173 Ų17379.5 Ų79.581%0.80844%0.443SS*.PPolyproline II helixtrans-58.1149.7167-67-173.5164.600111.2R233E231-R233 PolarHBondContact O-N 2.98Å
232T97.8Very high94.5Very high45 Ų4574.3 Ų74.328%0.27642%0.419SS..PPolyproline II helixtrans-67.6130.3174.3-56.20000108.7F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.11Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.41Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; T232-K242 PolarHBondContact OG1-NZ 3.16Å
233R96.9Very high94.6Very high90 Ų9070.8 Ų70.834%0.3440%0.398SS..EExtended strand (participates in β ladder)trans-125.8145.1-175.368.6-168.6-178.3-155.80.3111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.98Å; R233-F240 WeakPolarHBondContact O-CA 3.44Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.89Å; R233-Q241 WeakPolarHBondContact O-CG 3.43Å; R233-Q241 PolarHBondContact O-N 3.44Å
234P96.8Very high94.8Very high95 Ų9570.2 Ų70.262%0.61740%0.395SS*.EExtended strand (participates in β ladder)trans-68.3145177.428.5-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.3Å
235A96.2Very high95.3Very high50 Ų5065.1 Ų65.141%0.41337%0.365SS..  trans-88.4-17.2173.100000113T239A235-T239 PolarHBondContact N-O 3.12Å
236G92.9Very high95.8Very high77 Ų7756.2 Ų56.279%0.79432%0.323SS*.SBendtrans98-8.9178.700000114.9
237D92.1Very high96.3Very high105 Ų10554.4 Ų54.456%0.56132%0.316SS*.SBendtrans-104.613.9176.862.2-2.2000112.9T239D237-T239 WeakPolarHBondContact OD1-CB 2.98Å; D237-T239 PolarHBondContact OD1-N 3.32Å; D237-T239 PolarHBondContact OD1-OG1 3.01Å
238G91.4Very high96.4Very high40 Ų4053.3 Ų53.341%0.41231%0.309SS..SBendtrans83.86.3-173.900000114.4R180 Y208R180-G238 PolarHBondContact NH2-O 3.45Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å
239T96.5Very high96.3Very high13 Ų1350.1 Ų50.18%0.0830%0.298CS..  trans-108.9172.617173.40000112.2F207 A235 D237F207-T239 CarbonylContact O-C 3.53Å; F207-T239 WeakPolarHBondContact O-CA 3.4Å; A235-T239 PolarHBondContact N-O 3.12Å; D237-T239 WeakPolarHBondContact OD1-CB 2.98Å; D237-T239 PolarHBondContact OD1-N 3.32Å; D237-T239 PolarHBondContact OD1-OG1 3.01Å
240F98.1Very high96Very high24 Ų2448.6 Ų48.611%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-120.1162.8-177.6-63-84.3000112.3D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.53Å; S206-F240 PolarHBondContact N-O 2.98Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.34Å; F207-F240 HydrophobicContact CD2-CB 3.94Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.32Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 3.28Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CE2-CE2 4.27Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; R233-F240 WeakPolarHBondContact O-CA 3.44Å; P234-F240 HydrophobicContact CB-CE1 4.3Å
241Q98.2Very high95.7Very high44 Ų4450.1 Ų50.121%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-141.5147173.945.5168-26.800110.1A204 L205 R233A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.26Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.89Å; R233-Q241 WeakPolarHBondContact O-CG 3.43Å; R233-Q241 PolarHBondContact O-N 3.44Å
242K98.5Very high95.5Very high21 Ų2144.9 Ų44.99%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-151.6153.9176.9-162.6-176.5-172.970.60108.9A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.69Å; A204-K242 PolarHBondContact O-N 2.84Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.36Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.35Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.49Å; V230-K242 WeakPolarHBondContact O-CG 3.42Å; V230-K242 PolarHBondContact O-NZ 3.01Å; T232-K242 PolarHBondContact OG1-NZ 3.16Å
243W98.1Very high95.3Very high26 Ų2643.7 Ų43.710%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-143.9157.6169.659-97.2000111.3R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.27Å; C202-W243 CarbonylContact O-C 3.54Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.43Å; W203-W243 HydrophobicContact CD2-CB 3.92Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.84Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.71Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å; E228-W243 HydrophobicContact CB-CZ3 4.24Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 4Å; V230-W243 HydrophobicContact CG1-CE3 4.33Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.14Å; V230-W243 HydrophobicContact CG2-CD2 3.78Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.39Å; V230-W243 WeakPolarHBondContact CG2-O 3.21Å; V230-W243 PolarHBondContact N-O 3.49Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
244A98Very high95.1Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-131.3132.217400000108.6R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.34Å; C202-A244 PolarHBondContact N-O 3.15Å; C202-A244 PolarHBondContact O-N 2.87Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.26Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.42Å; T227-A244 HydrophobicContact CG2-CB 4Å; E228-A244 CarbonylContact O-C 3.51Å; E228-A244 WeakPolarHBondContact O-CA 3.36Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A97.4Very high95.1Very high2 Ų244.5 Ų44.52%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-123.2147.2179.300000111.9T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.92Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.43Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.51Å; T227-A245 WeakPolarHBondContact CA-O 3.33Å; E228-A245 HydrophobicContact CB-CB 4.38Å; E228-A245 PolarHBondContact N-O 3.39Å; E228-A245 PolarHBondContact O-N 2.88Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.7Å
246V97.1Very high95.1Very high3 Ų342.5 Ų42.52%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-137142.1175.8650000109T199 L200 W216 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.49Å; L200-V246 HydrophobicContact CB-CG1 4.34Å; L200-V246 PolarHBondContact N-O 2.83Å; L200-V246 PolarHBondContact O-N 3.04Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.82Å; W216-V246 HydrophobicContact CG-CB 4.18Å; W216-V246 HydrophobicContact CG-CG1 3.95Å; W216-V246 HydrophobicContact CH2-CG1 4.24Å; W216-V246 HydrophobicContact CZ2-CG1 4.05Å; W216-V246 HydrophobicContact CZ3-CG1 4.15Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-Y256 HydrophobicContact CG1-CD1 3.98Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.33Å; V246-Y256 HydrophobicContact CG2-CE1 4.01Å
247V96.4Very high95.3Very high75 Ų7539.3 Ų39.346%0.45523%0.226SC..EExtended strand (participates in β ladder)trans-84.3128.2171.3-178.30000108.2E197 A198E197-V247 HydrophobicContact CB-CG1 4.15Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; A198-V247 WeakPolarHBondContact O-CA 3.28Å
248V95.4Very high95.6Very high1 Ų134.3 Ų34.31%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-126.2143.6-176.7-52.80000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.49Å; A198-V248 HydrophobicContact CB-CG2 4.34Å; A198-V248 PolarHBondContact N-O 2.86Å; A198-V248 PolarHBondContact O-N 2.73Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.78Å; V248-Y256 HydrophobicContact CG1-CD1 3.71Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å
249P94.9Very high95.9Very high46 Ų4634 Ų3430%0.29919%0.187SC..EExtended strand (participates in β ladder)trans-64.1140170.4-20.132.3000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.44Å; H196-P249 WeakPolarHBondContact O-CA 3.15Å; P249-G251 PolarHBondContact O-N 2.7Å; P249-Q252 HydrophobicContact CB-CB 4.37Å; P249-Q252 HydrophobicContact CB-CG 4.13Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.47Å
250S90.3Very high96Very high56 Ų5633.3 Ų33.339%0.39218%0.183SC..THydrogen-bonded Turntrans-52.8129.4175.4-630000111D195 H196 E197 Q252 E253D195-S250 PolarHBondContact O-OG 2.98Å; H196-S250 PolarHBondContact O-N 3.36Å; H196-S250 PolarHBondContact O-OG 3.28Å; E197-S250 PolarHBondContact N-OG 2.89Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; S250-E253 WeakPolarHBondContact CA-OE1 3.22Å
251G89.4Confident96Very high66 Ų6636.9 Ų36.968%0.6820%0.2SC*.THydrogen-bonded Turntrans85-2.6-178.900000115P249 E253P249-G251 PolarHBondContact O-N 2.7Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.82Å; G251-E253 PolarHBondContact N-OE2 3.17Å
252Q93.6Very high95.9Very high63 Ų6335.5 Ų35.529%0.29419%0.193SC..  trans-104.14.9175.3-60.4-167.539.100113.3P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.37Å; P249-Q252 HydrophobicContact CB-CG 4.13Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.47Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 2.97Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q252-R255 WeakPolarHBondContact O-CB 3.03Å; Q252-R255 PolarHBondContact O-N 2.95Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.32Å
253E93.6Very high95.8Very high20 Ų2041.6 Ų41.69%0.09322%0.223CC..G310 helixtrans-54.8-36.4-174.2-58.478.9-17500112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.42Å; L200-E253 HydrophobicContact CD2-CB 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.28Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.22Å; G251-E253 WeakPolarHBondContact CA-OE2 3.35Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 2.82Å; G251-E253 PolarHBondContact N-OE2 3.17Å; E253-R255 PolarHBondContact O-N 3.35Å; E253-Y256 PolarHBondContact O-N 3.05Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CD2 4.26Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.9Å; E253-W273 HydrophobicContact CG-CZ3 4.01Å
254Q93Very high95.6Very high95 Ų9541.4 Ų41.444%0.44423%0.229SC..G310 helixtrans-67.8-19.2-179.5-64.5-57.6-42.600114.4Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 2.97Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 3.05Å
255R95.4Very high95.6Very high108 Ų10842.6 Ų42.641%0.40824%0.235SC..G310 helixtrans-77.4-16175.9-63175.166.9-175.27.3112.2R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.23Å; R218-R255 HydrophobicContact CG-CB 4.33Å; D219-R255 PolarHBondContact N-O 3.21Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 3.28Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.41Å; Q252-R255 WeakPolarHBondContact O-CB 3.03Å; Q252-R255 PolarHBondContact O-N 2.95Å; E253-R255 PolarHBondContact O-N 3.35Å
256Y96.4Very high95.5Very high8 Ų849 Ų493%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-98.1131-177.1-69.3-102.6000111Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.3Å; R218-Y256 HydrophobicContact CB-CD1 4.12Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.4Å; R218-Y256 HydrophobicContact CG-CD2 4.43Å; R218-Y256 HydrophobicContact CG-CE1 4.2Å; R218-Y256 HydrophobicContact CG-CE2 4.09Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å; V246-Y256 HydrophobicContact CG1-CD1 3.98Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.33Å; V246-Y256 HydrophobicContact CG2-CE1 4.01Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.78Å; V248-Y256 HydrophobicContact CG1-CD1 3.71Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.32Å; E253-Y256 PolarHBondContact O-N 3.05Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T97.4Very high95.5Very high10 Ų1056.7 Ų56.76%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-123.7135.1176.245.60000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.44Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.32Å; T257-H259 PolarHBondContact OG1-NE2 3.37Å; T257-T270 HydrophobicContact CG2-CG2 3.87Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; T257-R272 HydrophobicContact CG2-CG 3.5Å; T257-R272 VanDerWaalsContact CG2-CG 3.5Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å
258C97.8Very high95.5Very high0 Ų057 Ų570%031%0.313CS..EExtended strand (participates in β ladder)trans-95.8128.7168.7174.50000109.5M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.46Å; M188-C258 VanDerWaalsContact CE-CB 3.46Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.5Å; C202-C258 WeakPolarHBondContact SG-CB 3.42Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 3.45Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.44Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.17Å; W216-C258 HydrophobicContact CZ2-CB 4.16Å; W216-C258 HydrophobicContact CZ3-CB 4.16Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 2.81Å
259H97.8Very high95.6Very high32 Ų3259.9 Ų59.915%0.14833%0.328CS..EExtended strand (participates in β ladder)trans-107129.8176.7-62-101.7000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.17Å; T215-H259 PolarHBondContact N-O 3.34Å; T215-H259 PolarHBondContact O-N 2.89Å; Q217-H259 PolarHBondContact OE1-NE2 2.95Å; T257-H259 PolarHBondContact OG1-NE2 3.37Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; H259-T270 PolarHBondContact ND1-OG1 3.17Å
260V98.3Very high95.7Very high0 Ų061.5 Ų61.50%034%0.337CS..EExtended strand (participates in β ladder)trans-121.7119.8-178.9-1750000108.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4Å; T186-V260 HydrophobicContact CG2-CG1 4.28Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.31Å; T213-V260 WeakPolarHBondContact O-CA 3.34Å; L214-V260 HydrophobicContact CD1-CG1 4.04Å; L214-V260 HydrophobicContact CD1-CG2 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; V260-P268 WeakPolarHBondContact O-CA 3.4Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 2.82Å; V260-L271 HydrophobicContact CG2-CD1 3.95Å
261Q98.3Very high96Very high99 Ų9960.5 Ų60.546%0.46333%0.327SS..EExtended strand (participates in β ladder)trans-116.1128.4174.3-51.2-179.622.600109I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.25Å; T213-Q261 PolarHBondContact N-O 2.91Å; T213-Q261 PolarHBondContact O-N 3.34Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H97.9Very high96.2Very high14 Ų1464.8 Ų64.87%0.06532%0.323CS..  trans-154.9145.5-179-175.5-101.3000108.3D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.45Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.59Å; Y208-H262 PolarHBondContact O-CE1 2.97Å; P209-H262 PolarHBondContact O-NE2 3.27Å; E211-H262 PolarHBondContact O-CD2 2.04Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.27Å; I212-H262 HydrophobicContact CG1-CB 4.04Å; H262-G264 WeakPolarHBondContact ND1-CA 3.33Å; H262-G264 PolarHBondContact ND1-N 2.94Å; H262-G264 PolarHBondContact O-N 3.01Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.05Å; H262-L265 PolarHBondContact O-N 3.18Å
263E95.3Very high96.1Very high150 Ų15063.9 Ų63.970%0.70132%0.317SS*.THydrogen-bonded Turntrans-58.8-32.2-179.3-175.617417700112.6T181 L265T181-E263 HydrophobicContact CG2-CB 4.07Å; T181-E263 HydrophobicContact CG2-CG 4.16Å; E263-L265 PolarHBondContact O-N 2.9Å
264G95.1Very high95.7Very high22 Ų2270.7 Ų70.723%0.22735%0.348CS..THydrogen-bonded Turntrans-71.9-5.8177.200000114.7A183 H262A183-G264 WeakPolarHBondContact CB-O 3.2Å; H262-G264 WeakPolarHBondContact ND1-CA 3.33Å; H262-G264 PolarHBondContact ND1-N 2.94Å; H262-G264 PolarHBondContact O-N 3.01Å
265L97.2Very high95Very high25 Ų2570 Ų7013%0.13135%0.352CS..  trans-100.7126.1176.6-64.9170.3000109.7A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.42Å; P184-L265 HydrophobicContact CG-CG 4.21Å; V260-L265 HydrophobicContact CG1-CD1 4.18Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.05Å; H262-L265 PolarHBondContact O-N 3.18Å; E263-L265 PolarHBondContact O-N 2.9Å; L265-K267 WeakPolarHBondContact CB-O 3.48Å; L265-K267 PolarHBondContact O-N 2.99Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 3.59Å; L265-L269 HydrophobicContact CD2-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 HydrophobicContact CG-CG 4.44Å
266P95.8Very high93.4Very high136 Ų13669.7 Ų69.788%0.88337%0.367SS*.SBendtrans-65.2-24.7177.927-34.7000112.5
267K96.4Very high91.1Very high165 Ų16574.8 Ų74.872%0.71740%0.403SS*.SBendtrans-145.7151173.1-64.7-176.4-177.8177.90109L265 L269L265-K267 WeakPolarHBondContact CB-O 3.48Å; L265-K267 PolarHBondContact O-N 2.99Å; K267-L269 PolarHBondContact O-N 2.69Å
268P96.8Very high88.7Confident81 Ų8181.9 Ų81.953%0.52644%0.436SS..  trans-51.4136.3172.2-28.336.5000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.4Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L97.2Very high86Confident61 Ų6187 Ų8732%0.31947%0.469SS..EExtended strand (participates in β ladder)trans-87.1142.2173.3-67.2176.8000109.8T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.42Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 2.82Å; L265-L269 HydrophobicContact CD1-CB 4.44Å; L265-L269 HydrophobicContact CD1-CD1 3.88Å; L265-L269 HydrophobicContact CD1-CG 3.83Å; L265-L269 HydrophobicContact CD2-CD1 3.59Å; L265-L269 HydrophobicContact CD2-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 4.4Å; L265-L269 HydrophobicContact CG-CG 4.44Å; K267-L269 PolarHBondContact O-N 2.69Å
270T97.1Very high83.7Confident81 Ų8192 Ų9250%0.49750%0.502SS..EExtended strand (participates in β ladder)trans-121.2117.9171-56.70000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.87Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; H259-T270 PolarHBondContact ND1-OG1 3.17Å
271L95.9Very high81.5Confident34 Ų3496.9 Ų96.918%0.17853%0.527CS..EExtended strand (participates in β ladder)trans-107.4136.6-177.6-63.8155.5000109T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.09Å; M188-L271 HydrophobicContact CE-CB 3.86Å; M188-L271 WeakPolarHBondContact CE-O 3.4Å; M188-L271 HydrophobicContact CG-CB 4.47Å; M188-L271 HydrophobicContact SD-CB 4.45Å; T257-L271 WeakPolarHBondContact CA-O 3.38Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 2.81Å; V260-L271 HydrophobicContact CG2-CD1 3.95Å
272R93.9Very high79.2Confident156 Ų15696.4 Ų96.459%0.58953%0.533SS*.EExtended strand (participates in β ladder)trans-117.8151.9167.8-73.1-176.4179161.8-0.4108.7T257 E274T257-R272 HydrophobicContact CG2-CG 3.5Å; T257-R272 VanDerWaalsContact CG2-CG 3.5Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å; R272-E274 PolarHBondContact O-N 3.42Å
273W92.1Very high77.3Confident45 Ų45101.2 Ų101.217%0.1756%0.558CS.*  trans-72.8126.7175.4174.872000108.9M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.31Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 3.26Å; H190-W273 HydrophobicContact CB-CZ2 4.16Å; H190-W273 AromaticContact CD2-CZ2 3.97Å; H190-W273 AromaticContact CG-CE2 3.97Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.97Å; L200-W273 HydrophobicContact CD1-CB 4.26Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.32Å; L200-W273 HydrophobicContact CD2-CG 3.79Å; E253-W273 HydrophobicContact CB-CD2 4.26Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.9Å; E253-W273 HydrophobicContact CG-CZ3 4.01Å; Q254-W273 PolarHBondContact NE2-O 3.05Å; W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.87Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.09Å; W273-P275 HydrophobicContact CZ2-CG 4.25Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.71Å
274E84.7Confident75.3Confident162 Ų16299.7 Ų99.776%0.75756%0.558SS**  trans-110.6126.4170.5-73.7-177.8178.200108.6R272 S276R272-E274 PolarHBondContact O-N 3.42Å; E274-S276 PolarHBondContact O-N 3.4Å
275P78.2Confident73.4Confident80 Ų80100.8 Ų100.852%0.51957%0.57SS.*  trans-57.9127.3171.6-13.622.9000108.8W273 S277W273-P275 HydrophobicContact CE3-CG 4.33Å; W273-P275 HydrophobicContact CH2-CB 3.87Å; W273-P275 HydrophobicContact CH2-CG 3.67Å; W273-P275 HydrophobicContact CZ2-CB 4.09Å; W273-P275 HydrophobicContact CZ2-CG 4.25Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.71Å; P275-S277 PolarHBondContact O-N 2.87Å
276S63.1Low71.6Confident102 Ų102104.3 Ų104.371%0.71359%0.587SS**  trans-58.4116.2178.570.90000109.2E274 Q278E274-S276 PolarHBondContact O-N 3.4Å; S276-Q278 PolarHBondContact O-N 3Å
277S48.2Very low69.9Low115 Ų115102.5 Ų102.580%0.80457%0.569SS**  trans-7564.6168.350.10000109P275 P279P275-S277 PolarHBondContact O-N 2.87Å; S277-P279 WeakPolarHBondContact O-CD 3.43Å
278Q45.5Very low68.4Low159 Ų15997 Ų9774%0.74356%0.555SS**  trans-65.6115.2157.6-81.1-168-22.800105.8S276 T280S276-Q278 PolarHBondContact O-N 3Å; Q278-T280 PolarHBondContact O-N 3.43Å
279P42Very low67Low108 Ų10894.6 Ų94.670%0.70155%0.545SS*.  trans-61116169.525.1-29.2000105.4S277 I281S277-P279 WeakPolarHBondContact O-CD 3.43Å; P279-I281 PolarHBondContact O-N 2.97Å
280T50.1Low65.9Low136 Ų13697.3 Ų97.383%0.83456%0.559SS**  trans-62.684.4162-35.10000105.1Q278 P282Q278-T280 PolarHBondContact O-N 3.43Å; T280-P282 VanDerWaalsContact O-CD 3.29Å; T280-P282 WeakPolarHBondContact O-CD 3.34Å
281I51.3Low64.7Low104 Ų10498.1 Ų98.153%0.53356%0.563SS.*  trans-52118.7168.4-63.7174.7000103.5P279 I283 I286P279-I281 PolarHBondContact O-N 2.97Å; I281-I283 PolarHBondContact O-N 2.96Å; I281-I286 HydrophobicContact CG2-CD1 4Å
282P50.3Low63.4Low89 Ų89102.1 Ų102.158%0.57858%0.584SS**  trans-73.484.4-176.629.2-31.7000106.6T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.29Å; T280-P282 WeakPolarHBondContact O-CD 3.34Å; P282-V284 PolarHBondContact O-N 3.35Å; P282-G285 PolarHBondContact O-N 2.73Å; P282-I286 PolarHBondContact O-N 3.12Å
283I57Low62.2Low115 Ų115101.9 Ų101.959%0.5959%0.588SS**Hα-helixtrans-53.4-30.6177.1-67169.3000109.2I281 G285 I286 I287I281-I283 PolarHBondContact O-N 2.96Å; I283-G285 PolarHBondContact O-N 3.16Å; I283-I286 PolarHBondContact O-N 3.05Å; I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.3Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.48Å; I283-I287 PolarHBondContact O-N 3.28Å
284V53.2Low61.1Low118 Ų118101.4 Ų101.472%0.71560%0.598SS**Hα-helixtrans-61.3-39.5174.5-174.60000112.9P282 A288P282-V284 PolarHBondContact O-N 3.35Å; V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.17Å
285G54.7Low60.5Low45 Ų4596.4 Ų96.446%0.46458%0.584SS.*Hα-helixtrans-70.2-36179.700000112.9P282 I283 G289P282-G285 PolarHBondContact O-N 2.73Å; I283-G285 PolarHBondContact O-N 3.16Å; G285-G289 PolarHBondContact O-N 2.9Å
286I59.8Low60.4Low98 Ų9897.5 Ų97.550%0.50359%0.589SS.*Hα-helixtrans-71.7-41.7177.4-60.9175000110.5I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 4Å; P282-I286 PolarHBondContact O-N 3.12Å; I283-I286 PolarHBondContact O-N 3.05Å; I286-G289 PolarHBondContact O-N 3.31Å; I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.47Å; I286-L290 PolarHBondContact O-N 3.35Å
287I61.5Low60.8Low98 Ų9897.5 Ų97.550%0.50358%0.58SS.*Hα-helixtrans-65.2-46.3176.7-66.3170.5000110.7I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.7Å; I283-I287 HydrophobicContact CG2-CG1 4.3Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.48Å; I283-I287 PolarHBondContact O-N 3.28Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.86Å; I287-L290 PolarHBondContact O-N 2.97Å; I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.47Å; I287-V291 PolarHBondContact O-N 3.31Å
288A64.2Low61.8Low50 Ų5096.2 Ų96.241%0.41357%0.567SS.*Hα-helixtrans-61-42177.300000111.9V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.17Å; A288-V291 PolarHBondContact O-N 3.41Å; A288-L292 WeakPolarHBondContact O-CB 3.5Å; A288-L292 WeakPolarHBondContact O-CG 3.46Å; A288-L292 PolarHBondContact O-N 3.17Å
289G67.9Low63Low31 Ų3190.7 Ų90.732%0.3255%0.552SS.*Hα-helixtrans-61.8-44.7175.400000113.1G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 2.9Å; I286-G289 PolarHBondContact O-N 3.31Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 2.68Å; G289-F293 WeakPolarHBondContact O-CB 2.83Å; G289-F293 PolarHBondContact O-N 2.93Å
290L72.8Confident64.5Low118 Ų11888.3 Ų88.362%0.61854%0.542SS*.Hα-helixtrans-67.9-38.1178.6-75.5169.1000112.8I286 I287 G294I286-L290 HydrophobicContact CG2-CD1 3.92Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 3.36Å; I286-L290 WeakPolarHBondContact O-CG 3.47Å; I286-L290 PolarHBondContact O-N 3.35Å; I287-L290 PolarHBondContact O-N 2.97Å; L290-G294 PolarHBondContact O-N 3.15Å
291V72.3Confident65.6Low97 Ų9785.8 Ų85.859%0.58853%0.526SS*.Hα-helixtrans-66-43.71761720000110.7I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.47Å; I287-V291 PolarHBondContact O-N 3.31Å; A288-V291 PolarHBondContact O-N 3.41Å; V291-G294 PolarHBondContact O-N 2.84Å; V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.27Å
292L68.9Low66.7Low118 Ų11884.8 Ų84.862%0.61853%0.525SS*.Hα-helixtrans-64.3-45.3176.5-75.5168.5000111.8A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.5Å; A288-L292 WeakPolarHBondContact O-CG 3.46Å; A288-L292 PolarHBondContact O-N 3.17Å; G289-L292 PolarHBondContact O-N 2.68Å; L292-G294 PolarHBondContact O-N 3.29Å; L292-A295 PolarHBondContact O-N 2.84Å; L292-V296 WeakPolarHBondContact O-CG2 3.24Å; L292-V296 PolarHBondContact O-N 2.87Å
293F68.9Low67.6Low151 Ų15183.3 Ų83.366%0.66252%0.52SS*.Hα-helixtrans-62.2-43.3175.5-103.6-87.3000112G289 A295 V296 I297G289-F293 WeakPolarHBondContact O-CB 2.83Å; G289-F293 PolarHBondContact O-N 2.93Å; F293-A295 PolarHBondContact O-N 2.86Å; F293-V296 PolarHBondContact O-N 3.12Å; F293-I297 WeakPolarHBondContact O-CG1 3.43Å; F293-I297 PolarHBondContact O-N 2.84Å
294G69.1Low68.3Low36 Ų3680.5 Ų80.537%0.37151%0.514SS..Hα-helixtrans-58.8-45.3176.100000112.3L290 V291 L292 I297 T298L290-G294 PolarHBondContact O-N 3.15Å; V291-G294 PolarHBondContact O-N 2.84Å; L292-G294 PolarHBondContact O-N 3.29Å; G294-I297 PolarHBondContact O-N 3.45Å; G294-T298 PolarHBondContact O-N 2.84Å; G294-T298 PolarHBondContact O-OG1 3.38Å
295A72.6Confident69.1Low57 Ų5778.7 Ų78.747%0.47150%0.503SS..Hα-helixtrans-65.3-40178.400000112.8V291 L292 F293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.17Å; V291-A295 PolarHBondContact O-N 3.27Å; L292-A295 PolarHBondContact O-N 2.84Å; F293-A295 PolarHBondContact O-N 2.86Å; A295-T298 WeakPolarHBondContact CA-OG1 3.4Å; A295-T298 PolarHBondContact O-OG1 3.48Å; A295-G299 PolarHBondContact O-N 2.88Å
296V75.7Confident69.9Low102 Ų10282.8 Ų82.862%0.61851%0.512SS*.Hα-helixtrans-65-43.8176.2172.10000110.9L292 F293 G299 A300L292-V296 WeakPolarHBondContact O-CG2 3.24Å; L292-V296 PolarHBondContact O-N 2.87Å; F293-V296 PolarHBondContact O-N 3.12Å; V296-G299 PolarHBondContact O-N 3.34Å; V296-A300 WeakPolarHBondContact O-CB 3.33Å; V296-A300 PolarHBondContact O-N 2.98Å
297I72Confident70.4Confident103 Ų10387.9 Ų87.953%0.52853%0.525SS..Hα-helixtrans-65.5-45.1178.7-67.1175.3000110.7F293 G294 G299 A300 V301F293-I297 WeakPolarHBondContact O-CG1 3.43Å; F293-I297 PolarHBondContact O-N 2.84Å; G294-I297 PolarHBondContact O-N 3.45Å; I297-G299 PolarHBondContact O-N 2.82Å; I297-A300 PolarHBondContact O-N 3.02Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.11Å; I297-V301 PolarHBondContact O-N 3.16Å
298T69.1Low70.5Confident88 Ų8892.6 Ų92.654%0.5454%0.536SS..Hα-helixtrans-63.8-42.2176.721.70000111.8G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 2.84Å; G294-T298 PolarHBondContact O-OG1 3.38Å; A295-T298 WeakPolarHBondContact CA-OG1 3.4Å; A295-T298 PolarHBondContact O-OG1 3.48Å; T298-A300 PolarHBondContact O-N 3.23Å; T298-V301 PolarHBondContact O-N 3.25Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.28Å; T298-V302 PolarHBondContact O-N 3.15Å
299G70.8Confident70.2Confident42 Ų4299.6 Ų99.643%0.43355%0.552SS.*Hα-helixtrans-59.2-45.3174.500000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 2.88Å; V296-G299 PolarHBondContact O-N 3.34Å; I297-G299 PolarHBondContact O-N 2.82Å; G299-V302 PolarHBondContact O-N 3.15Å; G299-A303 WeakPolarHBondContact O-CB 3.41Å; G299-A303 PolarHBondContact O-N 3.18Å
300A72.6Confident69.5Low59 Ų59107 Ų10749%0.48858%0.575SS.*Hα-helixtrans-65-4117800000112.5V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.33Å; V296-A300 PolarHBondContact O-N 2.98Å; I297-A300 PolarHBondContact O-N 3.02Å; T298-A300 PolarHBondContact O-N 3.23Å; A300-A303 PolarHBondContact O-N 3.41Å; A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.49Å; A300-A304 PolarHBondContact O-N 3.28Å
301V74Confident68.6Low82 Ų82104.7 Ų104.750%0.49757%0.569SS.*Hα-helixtrans-65.9-44.5177.1172.10000110.9I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.11Å; I297-V301 PolarHBondContact O-N 3.16Å; T298-V301 PolarHBondContact O-N 3.25Å; V301-A303 PolarHBondContact O-N 3.01Å; V301-A304 PolarHBondContact O-N 3.14Å; V301-V305 HydrophobicContact CG1-CG2 4.31Å; V301-V305 WeakPolarHBondContact O-CB 3.32Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.47Å; V301-V305 PolarHBondContact O-N 3.16Å
302V73.2Confident67.7Low84 Ų84104.3 Ų104.351%0.50957%0.571SS.*Hα-helixtrans-62.2-44.4176.9172.80000110.7T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.28Å; T298-V302 PolarHBondContact O-N 3.15Å; G299-V302 PolarHBondContact O-N 3.15Å; V302-A304 PolarHBondContact O-N 2.7Å; V302-V305 PolarHBondContact O-N 3.14Å; V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.31Å; V302-M306 PolarHBondContact O-N 2.96Å
303A69.6Low66.6Low58 Ų58106.1 Ų106.148%0.47958%0.581SS.*Hα-helixtrans-61.4-43.6175.900000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.41Å; G299-A303 PolarHBondContact O-N 3.18Å; A300-A303 PolarHBondContact O-N 3.41Å; V301-A303 PolarHBondContact O-N 3.01Å; A303-M306 PolarHBondContact O-N 3.12Å; A303-W307 WeakPolarHBondContact O-CB 3.47Å; A303-W307 PolarHBondContact O-N 3.06Å
304A71.4Confident65.4Low56 Ų56109 Ų10946%0.46359%0.588SS.*Hα-helixtrans-65.9-39.8177.600000112.6A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.31Å; A300-A304 WeakPolarHBondContact O-CB 3.49Å; A300-A304 PolarHBondContact O-N 3.28Å; V301-A304 PolarHBondContact O-N 3.14Å; V302-A304 PolarHBondContact O-N 2.7Å; A304-W307 PolarHBondContact O-N 3.47Å; A304-R308 WeakPolarHBondContact O-CB 3.22Å; A304-R308 PolarHBondContact O-N 3.08Å
305V71.1Confident63.9Low79 Ų79116.9 Ų116.948%0.47961%0.612SS.*Hα-helixtrans-67.6-41.5176.4170.50000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.31Å; V301-V305 WeakPolarHBondContact O-CB 3.32Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.47Å; V301-V305 PolarHBondContact O-N 3.16Å; V302-V305 PolarHBondContact O-N 3.14Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.1Å; V305-R309 PolarHBondContact O-N 3.19Å
306M70.6Confident62.1Low132 Ų132118 Ų11865%0.6563%0.629SS**Hα-helixtrans-63.7-39.8174.3-74-175.968.500111.9V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.5Å; V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.5Å; V302-M306 WeakPolarHBondContact O-CG 3.31Å; V302-M306 PolarHBondContact O-N 2.96Å; A303-M306 PolarHBondContact O-N 3.12Å; M306-R309 PolarHBondContact O-N 3.11Å; M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 3.4Å
307W69.5Low60Low205 Ų205117 Ų11778%0.77764%0.639SS**Hα-helixtrans-63.6-45.3173.9-159.2-48.6000111.3A303 A304 V305 R309 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.47Å; A303-W307 PolarHBondContact O-N 3.06Å; A304-W307 PolarHBondContact O-N 3.47Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-R309 PolarHBondContact O-N 3.32Å; W307-K310 PolarHBondContact O-N 3.09Å; W307-S311 PolarHBondContact O-N 3.25Å; W307-S311 PolarHBondContact O-OG 3.15Å
308R64Low58.2Low196 Ų196118 Ų11874%0.7466%0.655SS**Hα-helixtrans-60.5-45.6176.6-98.1-174.8176.51750.3112.2A304 V305 K310 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.22Å; A304-R308 PolarHBondContact O-N 3.08Å; V305-R308 PolarHBondContact O-N 3.1Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 2.77Å; R308-S311 WeakPolarHBondContact CA-OG 3.35Å; R308-S311 PolarHBondContact O-N 3.36Å; R308-S311 VanDerWaalsContact O-N 3.11Å; R308-S311 PolarHBondContact O-OG 3.32Å; R308-S312 PolarHBondContact O-N 3.42Å; R308-S312 PolarHBondContact O-OG 3.03Å
309R59.1Low56.4Low197 Ų197124.3 Ų124.374%0.74367%0.671SS**Hα-helixtrans-60.7-37.3175.3-95.3-174.3166.2-179.3-3.3112.7V305 M306 W307 S311 S312V305-R309 PolarHBondContact O-N 3.19Å; M306-R309 PolarHBondContact O-N 3.11Å; W307-R309 PolarHBondContact O-N 3.32Å; R309-S311 VanDerWaalsContact C-N 3.33Å; R309-S312 PolarHBondContact O-OG 3.11Å
310K53.5Low54.7Low186 Ų186127.4 Ų127.481%0.80969%0.686SS**Hα-helixtrans-72.4-25.1176.2-163.1174-179179.90113M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.41Å; M306-K310 PolarHBondContact O-N 3.4Å; W307-K310 PolarHBondContact O-N 3.09Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 2.77Å
311S53.3Low52.8Low71 Ų71133.9 Ų133.950%0.49771%0.706SS.*Hα-helixtrans-89.1-22.1177.665.50000114.8W307 R308 R309W307-S311 PolarHBondContact O-N 3.25Å; W307-S311 PolarHBondContact O-OG 3.15Å; R308-S311 WeakPolarHBondContact CA-OG 3.35Å; R308-S311 PolarHBondContact O-N 3.36Å; R308-S311 VanDerWaalsContact O-N 3.11Å; R308-S311 PolarHBondContact O-OG 3.32Å; R309-S311 VanDerWaalsContact C-N 3.33Å
312S52.9Low50.8Low89 Ų89134.4 Ų134.462%0.62272%0.719SS**Hα-helixtrans-82.6-10-178.657.60000114.4R308 R309 R314R308-S312 PolarHBondContact O-N 3.42Å; R308-S312 PolarHBondContact O-OG 3.03Å; R309-S312 PolarHBondContact O-OG 3.11Å; S312-R314 PolarHBondContact O-N 2.93Å
313D44.9Very low48.9Very low156 Ų156135.2 Ų135.283%0.83474%0.735SS**THydrogen-bonded Turntrans-80.76.7175.9-119.12.6000113.4
314R44.5Very low47.3Very low212 Ų212137.4 Ų137.480%0.875%0.747SS**SBendtrans-142.169.8-177-160.8176.9178.3172.2-0.7112.6S312S312-R314 PolarHBondContact O-N 2.93Å
315K37.8Very low45.6Very low200 Ų200139.7 Ų139.787%0.8776%0.759SS**  trans162.6103.7135.6-92.8168.8175.3-177.60110.5
316G34.3Very low44Very low81 Ų81142.9 Ų142.984%0.83577%0.774SS**  trans-76.1140.4159.300000111.5
317G32.5Very low42.8Very low80 Ų80141.5 Ų141.583%0.82578%0.777SS**  trans65.9114.7139.900000120
318S33.2Very low41.3Very low125 Ų125136 Ų13687%0.87478%0.775SS**  -173.6142.6111.5-172.40000111.7
319Y32.6Very low40.2Very low220 Ų220136 Ų13686%0.86378%0.784SS**  trans-78.9153.8-173.7-96.8-107.3000115.3
320S33.4Very low39Very low108 Ų108129.4 Ų129.476%0.75578%0.777SS**  165.9113.2127.449.70000109.5
321Q33.4Very low38.5Very low194 Ų194125.8 Ų125.891%0.90778%0.775SS**  57.8127.781-149.1-178.79.200111.7
322A32.1Very low38Very low93 Ų93129.2 Ų129.277%0.76979%0.788SS**  cis-143.9179.79.200000106.6
323A33.7Very low37.2Very low102 Ų102130.9 Ų130.984%0.84379%0.794SS**  cis-164.4162.43800000111.9
324S35.4Very low36.9Very low104 Ų104127.5 Ų127.573%0.72778%0.783SS**  trans-70.6147.8-174.9147.50000115.9
325S36.6Very low36.7Very low104 Ų104124.6 Ų124.673%0.72778%0.782SS**  -165.4110.7127.655.70000107.9
326D37.6Very low36.8Very low146 Ų146120.8 Ų120.878%0.78178%0.776SS**  57.1131101.2-78.3-22.9000113.1
327S44.3Very low37Very low102 Ų102120.9 Ų120.971%0.71377%0.769SS**  cis-175155.411.236.20000108.4
328A38Very low37.2Very low91 Ų91122.6 Ų122.675%0.75277%0.767SS**  trans44.2135.2137.200000119.4
329Q41.5Very low37.4Very low195 Ų195125.8 Ų125.891%0.91177%0.765SS**  cis-160.8144.235.9-105.8151-2300105.1
330G34.5Very low37.9Very low59 Ų59125.6 Ų125.661%0.60879%0.786SS**  107.4103.462.900000108.1
331S42.3Very low38.1Very low109 Ų109126.5 Ų126.576%0.76279%0.788SS**  91139.7113.4-23.90000110.7
332D41.6Very low38.3Very low144 Ų144122.9 Ų122.977%0.7778%0.781SS**  cis-159.9143.216.7-88.2-47.1000105.3
333V36.2Very low38.7Very low123 Ų123124.6 Ų124.675%0.74578%0.782SS**  57.694.255.8-175.50000111.6
334S40.3Very low39Very low86 Ų86125.9 Ų125.960%0.60178%0.778SS**  163.8132.299.6-77.30000108.4
335L39.8Very low39.2Very low151 Ų151127.3 Ų127.379%0.79178%0.782SS**  62.214197.6-55.6160.5000112.8
336T39.2Very low39.4Very low120 Ų120128.8 Ų128.874%0.73679%0.785SS**  cis-171.2161.320.8-13.60000109
337A38.8Very low39.5Very low82 Ų82127.6 Ų127.668%0.67879%0.786SS**  trans-13.4142.2146.800000119.5
338C36.3Very low39.2Very low117 Ų117129.5 Ų129.579%0.79179%0.791SS**  156.4130.695.6-109.60000112.6
339K37Very low39.3Very low191 Ų191132.8 Ų132.883%0.8379%0.794SS**  46.7117.1127.2-132.5177.1-170.9177.30120
340V43.7Very low39Very low216 Ų216127.1 Ų127.1100%1.30978%0.784SS**  -140.40107.4174.80000107.6

Retrieved 340 of 340 residues in 1532.3 ms (Link to these results)

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