A0A2K5W0F3_MACFA Loading...

Family with sequence similarity 151 member B

AlphaFold DB , UniProt , Accession A0A2K5W0F3, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene FAM151B, Length 276 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M33.8Very low71.1Confident240 Ų24063.5 Ų63.5100%1.18243%0.434SS*.  0118.40-68.6-144.1-74.200106.5A3M1-A3 PolarHBondContact O-N 3.48Å
2A36.2Very low73.2Confident78 Ų7858.9 Ų58.965%0.64540%0.402SS*.PPolyproline II helixtrans-64.8122.6177.300000108S4A2-S4 PolarHBondContact O-N 3.17Å
3A45Very low74.9Confident42 Ų4254.5 Ų54.535%0.34737%0.372SS..PPolyproline II helixtrans-68.8125170.200000107.6M1 S196 R224M1-A3 PolarHBondContact O-N 3.48Å; A3-S196 WeakPolarHBondContact CB-O 3.45Å; A3-R224 WeakPolarHBondContact O-CD 3.45Å
4S56.9Low76.4Confident104 Ų10454.6 Ų54.673%0.72737%0.367SS*.PPolyproline II helixtrans-67.6158169.651.70000109.4A2A2-S4 PolarHBondContact O-N 3.17Å
5A70.6Confident77.7Confident35 Ų3551.2 Ų51.229%0.28934%0.344SS..PPolyproline II helixtrans-46.6145165.800000110.5S12 N14A5-S12 WeakPolarHBondContact CA-O 3.44Å; A5-S12 WeakPolarHBondContact CB-O 3.41Å; A5-N14 HydrophobicContact CB-CB 4.07Å
6G81.6Confident79Confident15 Ų1548.3 Ų48.316%0.15532%0.323CS..BIsolated β-bridgetrans-59.1152.217900000111.4S12 E13G6-S12 WeakPolarHBondContact CA-OG 3.45Å; G6-S12 PolarHBondContact N-O 3.26Å; G6-S12 PolarHBondContact N-OG 3.32Å; G6-E13 WeakPolarHBondContact O-CA 3.44Å
7G88.4Confident80Confident46 Ų4651.1 Ų51.147%0.47433%0.331SS..  trans-67.4177.3175.400000113.1G9 S10G7-G9 PolarHBondContact O-N 3.17Å; G7-S10 VanDerWaalsContact O-CB 3.25Å; G7-S10 WeakPolarHBondContact O-CB 3.42Å; G7-S10 PolarHBondContact O-N 2.89Å
8P91.6Very high80.9Confident104 Ų10449.2 Ų49.268%0.67532%0.316SS*.THydrogen-bonded Turntrans-44.9123.2179.3-31.336.2000114.3E13 R21P8-E13 WeakPolarHBondContact CA-OE2 3.21Å; P8-R21 VanDerWaalsContact CB-NH1 3.3Å
9G87.8Confident81.8Confident14 Ų1446.6 Ų46.614%0.14430%0.3CS..THydrogen-bonded Turntrans83.32.717800000115.4G7 E13G7-G9 PolarHBondContact O-N 3.17Å; G9-E13 PolarHBondContact N-OE2 2.94Å
10S93.6Very high82.5Confident17 Ų1746.8 Ų46.812%0.11930%0.298CS..  trans-76.6154.7167.7178.80000111G7 S12 E13 D160G7-S10 VanDerWaalsContact O-CB 3.25Å; G7-S10 WeakPolarHBondContact O-CB 3.42Å; G7-S10 PolarHBondContact O-N 2.89Å; S10-S12 PolarHBondContact O-N 3.14Å; S10-S12 PolarHBondContact OG-N 2.91Å; S10-S12 PolarHBondContact OG-OG 2.75Å; S10-S12 VanDerWaalsContact OG-OG 3.1Å; S10-E13 VanDerWaalsContact O-CB 3.22Å; S10-E13 WeakPolarHBondContact O-CB 3.39Å; S10-E13 PolarHBondContact O-N 3.41Å; S10-D160 PolarHBondContact OG-O 3.13Å; S10-D160 PolarHBondContact OG-OD2 3.14Å
11W96.6Very high83.2Confident4 Ų450 Ų502%0.01530%0.304CS..THydrogen-bonded Turntrans-71-23.3177.2-71.58.7000113L117 K121 L124 V128 F158 D160 V161W11-L117 HydrophobicContact CH2-CB 3.93Å; W11-L117 HydrophobicContact CH2-CD2 4.04Å; W11-L117 HydrophobicContact CH2-CG 4.45Å; W11-L117 HydrophobicContact CZ3-CB 4.42Å; W11-K121 HydrophobicContact CH2-CB 4.41Å; W11-K121 HydrophobicContact CH2-CG 4.32Å; W11-K121 HydrophobicContact CZ2-CB 3.94Å; W11-K121 HydrophobicContact CZ2-CG 3.77Å; W11-L124 HydrophobicContact CH2-CD2 4.49Å; W11-L124 HydrophobicContact CZ2-CB 4.22Å; W11-L124 HydrophobicContact CZ2-CD2 3.77Å; W11-L124 HydrophobicContact CZ2-CG 4.48Å; W11-L124 PolarHBondContact NE1-O 3.46Å; W11-V128 HydrophobicContact CB-CB 3.87Å; W11-V128 HydrophobicContact CB-CG2 4.16Å; W11-V128 HydrophobicContact CD2-CB 3.75Å; W11-V128 HydrophobicContact CD2-CG1 4.2Å; W11-V128 HydrophobicContact CD2-CG2 3.58Å; W11-V128 HydrophobicContact CE3-CB 3.92Å; W11-V128 HydrophobicContact CE3-CG1 3.9Å; W11-V128 HydrophobicContact CE3-CG2 4.15Å; W11-V128 HydrophobicContact CG-CB 3.74Å; W11-V128 HydrophobicContact CG-CG2 3.56Å; W11-V128 HydrophobicContact CZ2-CG2 4.33Å; W11-V128 HydrophobicContact CZ3-CG1 4.21Å; W11-V128 PolarHBondContact O-N 3.2Å; W11-V128 VanDerWaalsContact O-N 3.14Å; W11-F158 HydrophobicContact CD2-CD1 4.5Å; W11-F158 HydrophobicContact CE3-CB 4.12Å; W11-F158 AromaticContact CE3-CD1 3.62Å; W11-F158 HydrophobicContact CE3-CD1 3.62Å; W11-F158 HydrophobicContact CE3-CD2 4.38Å; W11-F158 HydrophobicContact CE3-CE1 4.14Å; W11-F158 AromaticContact CE3-CG 3.77Å; W11-F158 HydrophobicContact CE3-CG 3.77Å; W11-F158 AromaticContact CH2-CD1 3.71Å; W11-F158 HydrophobicContact CH2-CD1 3.71Å; W11-F158 AromaticContact CH2-CE1 3.32Å; W11-F158 HydrophobicContact CH2-CE1 3.32Å; W11-F158 HydrophobicContact CH2-CE2 4.2Å; W11-F158 HydrophobicContact CH2-CG 4.31Å; W11-F158 AromaticContact CH2-CZ 3.62Å; W11-F158 HydrophobicContact CH2-CZ 3.62Å; W11-F158 HydrophobicContact CZ2-CE1 4.27Å; W11-F158 HydrophobicContact CZ3-CB 4.21Å; W11-F158 AromaticContact CZ3-CD1 3.15Å; W11-F158 HydrophobicContact CZ3-CD1 3.15Å; W11-F158 AromaticContact CZ3-CD2 3.66Å; W11-F158 HydrophobicContact CZ3-CD2 3.66Å; W11-F158 AromaticContact CZ3-CE1 3.25Å; W11-F158 HydrophobicContact CZ3-CE1 3.25Å; W11-F158 AromaticContact CZ3-CE2 3.74Å; W11-F158 HydrophobicContact CZ3-CE2 3.74Å; W11-F158 AromaticContact CZ3-CG 3.38Å; W11-F158 HydrophobicContact CZ3-CG 3.38Å; W11-F158 AromaticContact CZ3-CZ 3.57Å; W11-F158 HydrophobicContact CZ3-CZ 3.57Å; W11-D160 CarbonylContact C-O 3.56Å; W11-D160 VanDerWaalsContact C-O 3.31Å; W11-D160 WeakPolarHBondContact CA-O 3.42Å; W11-D160 WeakPolarHBondContact CB-O 3.34Å; W11-D160 PolarHBondContact N-O 3.49Å; W11-V161 HydrophobicContact CB-CG2 4.47Å; W11-V161 HydrophobicContact CE3-CG2 4.25Å
12S96.2Very high86.1Confident8 Ų842 Ų426%0.05627%0.266CS..THydrogen-bonded Turntrans-94.37.8174.959.40000113A5 G6 S10 N14 D160A5-S12 WeakPolarHBondContact CA-O 3.44Å; A5-S12 WeakPolarHBondContact CB-O 3.41Å; G6-S12 WeakPolarHBondContact CA-OG 3.45Å; G6-S12 PolarHBondContact N-O 3.26Å; G6-S12 PolarHBondContact N-OG 3.32Å; S10-S12 PolarHBondContact O-N 3.14Å; S10-S12 PolarHBondContact OG-N 2.91Å; S10-S12 PolarHBondContact OG-OG 2.75Å; S10-S12 VanDerWaalsContact OG-OG 3.1Å; S12-N14 PolarHBondContact O-N 3.4Å; S12-D160 VanDerWaalsContact CB-C 3.44Å; S12-D160 WeakPolarHBondContact CB-O 3.24Å; S12-D160 PolarHBondContact N-O 2.63Å; S12-D160 PolarHBondContact OG-O 3.08Å; S12-D160 VanDerWaalsContact OG-O 3.13Å
13E95.3Very high89Confident1 Ų143.5 Ų43.51%0.00527%0.272CS..BIsolated β-bridgetrans-56.9138.3172.6-176.8176.9-174.500110.2G6 P8 G9 S10 I15 Y18 R21G6-E13 WeakPolarHBondContact O-CA 3.44Å; P8-E13 WeakPolarHBondContact CA-OE2 3.21Å; G9-E13 PolarHBondContact N-OE2 2.94Å; S10-E13 VanDerWaalsContact O-CB 3.22Å; S10-E13 WeakPolarHBondContact O-CB 3.39Å; S10-E13 PolarHBondContact O-N 3.41Å; E13-I15 PolarHBondContact O-N 3.47Å; E13-Y18 WeakPolarHBondContact OE2-CD2 3.44Å; E13-R21 VanDerWaalsContact CD-NH2 3.32Å; E13-R21 IonicContact OE1-CZ 3.29Å; E13-R21 IonicContact OE1-NH1 2.61Å; E13-R21 PolarHBondContact OE1-NH1 2.88Å; E13-R21 IonicContact OE1-NH2 3.66Å; E13-R21 PolarHBondContact OE1-NH2 3.24Å; E13-R21 IonicContact OE2-CZ 3.07Å; E13-R21 IonicContact OE2-NH2 2.75Å; E13-R21 PolarHBondContact OE2-NH2 2.68Å
14N95.8Very high91.4Very high56 Ų5644 Ų4430%0.29927%0.267SS..  trans-59.5124.8176.3-176.2-65.7000109.5A5 S12 L16 E17 Y18A5-N14 HydrophobicContact CB-CB 4.07Å; S12-N14 PolarHBondContact O-N 3.4Å; N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 2.93Å; N14-L16 VanDerWaalsContact OD1-CB 3.32Å; N14-L16 WeakPolarHBondContact OD1-CB 3.44Å; N14-L16 PolarHBondContact OD1-N 2.88Å; N14-E17 HydrophobicContact CB-CB 4.11Å; N14-E17 HydrophobicContact CB-CG 3.89Å; N14-E17 PolarHBondContact O-N 2.9Å; N14-E17 PolarHBondContact OD1-N 3.13Å; N14-Y18 PolarHBondContact O-N 3.17Å
15I96.4Very high93.2Very high4 Ų439.5 Ų39.52%0.02124%0.235CC..Hα-helixtrans-60.4-36.2-174.7-168.1172.2000112.8E13 F19 I33 W35 M55 P127 W129 F255E13-I15 PolarHBondContact O-N 3.47Å; I15-F19 HydrophobicContact CD1-CD2 4.38Å; I15-F19 HydrophobicContact CD1-CE2 3.87Å; I15-F19 HydrophobicContact CG1-CD2 3.54Å; I15-F19 HydrophobicContact CG1-CE2 3.38Å; I15-F19 WeakPolarHBondContact O-CD2 3.26Å; I15-F19 PolarHBondContact O-N 2.9Å; I15-I33 HydrophobicContact CD1-CG1 4.46Å; I15-I33 HydrophobicContact CD1-CG2 3.91Å; I15-I33 HydrophobicContact CG1-CD1 4.27Å; I15-W35 HydrophobicContact CD1-CH2 4.26Å; I15-W35 HydrophobicContact CD1-CZ2 4.34Å; I15-M55 HydrophobicContact CD1-CE 3.99Å; I15-M55 HydrophobicContact CD1-CG 3.44Å; I15-M55 VanDerWaalsContact CD1-CG 3.44Å; I15-M55 HydrophobicContact CD1-SD 3.41Å; I15-M55 WeakPolarHBondContact CD1-SD 3.21Å; I15-M55 HydrophobicContact CG1-SD 4.21Å; I15-P127 HydrophobicContact CG1-CG 4.42Å; I15-W129 HydrophobicContact CB-CZ2 4.06Å; I15-W129 HydrophobicContact CD1-CH2 4.32Å; I15-W129 HydrophobicContact CD1-CZ2 3.8Å; I15-W129 HydrophobicContact CG2-CZ2 3.91Å; I15-F255 HydrophobicContact CG2-CD1 4.17Å; I15-F255 HydrophobicContact CG2-CE1 3.26Å; I15-F255 HydrophobicContact CG2-CE2 4.27Å; I15-F255 HydrophobicContact CG2-CZ 3.32Å
16L97.7Very high94.4Very high4 Ų444 Ų442%0.02126%0.258CS..Hα-helixtrans-68.4-46.1177.9-61.4174.5000110.4N14 Y18 F19 L20 I25 E28 I33 K252 F255N14-L16 VanDerWaalsContact C-N 3.28Å; N14-L16 PolarHBondContact O-N 2.93Å; N14-L16 VanDerWaalsContact OD1-CB 3.32Å; N14-L16 WeakPolarHBondContact OD1-CB 3.44Å; N14-L16 PolarHBondContact OD1-N 2.88Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.14Å; L16-F19 PolarHBondContact O-N 3.44Å; L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 WeakPolarHBondContact O-CD1 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.26Å; L16-I25 HydrophobicContact CD2-CD1 3.9Å; L16-E28 HydrophobicContact CD1-CB 4.41Å; L16-I33 HydrophobicContact CD2-CD1 4.02Å; L16-I33 HydrophobicContact CD2-CG1 3.86Å; L16-K252 HydrophobicContact CD1-CB 4.05Å; L16-K252 HydrophobicContact CD1-CG 4.42Å; L16-K252 WeakPolarHBondContact CD1-O 3.37Å; L16-F255 HydrophobicContact CD1-CE1 4.41Å; L16-F255 HydrophobicContact CD2-CE1 3.95Å; L16-F255 HydrophobicContact CG-CE1 3.98Å; L16-F255 HydrophobicContact CG-CZ 4.36Å
17E96.5Very high95.1Very high97 Ų9744.8 Ų44.845%0.45326%0.264SS..Hα-helixtrans-60-43.6177-66.1177.9-17100111.5N14 R21N14-E17 HydrophobicContact CB-CB 4.11Å; N14-E17 HydrophobicContact CB-CG 3.89Å; N14-E17 PolarHBondContact O-N 2.9Å; N14-E17 PolarHBondContact OD1-N 3.13Å; E17-R21 WeakPolarHBondContact O-CB 3.33Å; E17-R21 PolarHBondContact O-N 3.44Å
18Y96.9Very high95.5Very high16 Ų1646.2 Ų46.26%0.06326%0.258CS..Hα-helixtrans-59.5-52.9176.7176.2-93000111.4E13 N14 L16 R21 N22 R126 P127E13-Y18 WeakPolarHBondContact OE2-CD2 3.44Å; N14-Y18 PolarHBondContact O-N 3.17Å; L16-Y18 VanDerWaalsContact C-N 3.33Å; L16-Y18 PolarHBondContact O-N 3.14Å; Y18-R21 PolarHBondContact O-N 3.45Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.21Å; Y18-N22 PolarHBondContact O-N 3.09Å; Y18-N22 PolarHBondContact O-ND2 3.32Å; Y18-R126 HydrophobicContact CE1-CB 4.32Å; Y18-R126 HydrophobicContact CE2-CB 3.8Å; Y18-R126 WeakPolarHBondContact OH-CB 3.16Å; Y18-P127 HydrophobicContact CD1-CG 3.96Å; Y18-P127 HydrophobicContact CD2-CG 4.3Å; Y18-P127 VanDerWaalsContact CG-CD 3.44Å; Y18-P127 HydrophobicContact CG-CG 3.76Å
19F97.3Very high95.8Very high0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-73.6-27.6-175.8-72.7-61.3000113.1I15 L16 S23 Q24 I25 I33 H54 M55I15-F19 HydrophobicContact CD1-CD2 4.38Å; I15-F19 HydrophobicContact CD1-CE2 3.87Å; I15-F19 HydrophobicContact CG1-CD2 3.54Å; I15-F19 HydrophobicContact CG1-CE2 3.38Å; I15-F19 WeakPolarHBondContact O-CD2 3.26Å; I15-F19 PolarHBondContact O-N 2.9Å; L16-F19 PolarHBondContact O-N 3.44Å; F19-S23 PolarHBondContact O-N 2.85Å; F19-Q24 HydrophobicContact CB-CB 4.3Å; F19-Q24 HydrophobicContact CD1-CB 4.01Å; F19-Q24 HydrophobicContact CD1-CG 4.31Å; F19-Q24 VanDerWaalsContact CD1-OE1 3.27Å; F19-Q24 PolarHBondContact O-N 3.13Å; F19-I25 HydrophobicContact CB-CD1 3.94Å; F19-I25 HydrophobicContact CB-CG1 3.9Å; F19-I25 HydrophobicContact CB-CG2 4.26Å; F19-I25 PolarHBondContact O-N 3.38Å; F19-I33 HydrophobicContact CB-CD1 4.23Å; F19-I33 HydrophobicContact CD2-CD1 3.52Å; F19-I33 HydrophobicContact CE2-CD1 4.28Å; F19-I33 HydrophobicContact CG-CD1 4.19Å; F19-H54 HydrophobicContact CD1-CB 4.26Å; F19-H54 AromaticContact CD1-CD2 3.84Å; F19-H54 HydrophobicContact CD2-CB 4.22Å; F19-H54 HydrophobicContact CE1-CB 3.88Å; F19-H54 HydrophobicContact CE2-CB 3.82Å; F19-H54 HydrophobicContact CG-CB 4.45Å; F19-H54 HydrophobicContact CZ-CB 3.66Å; F19-H54 VanDerWaalsContact CZ-O 3.28Å; F19-H54 WeakPolarHBondContact CZ-O 3.48Å; F19-M55 HydrophobicContact CE2-CG 4.27Å; F19-M55 HydrophobicContact CE2-SD 3.92Å; F19-M55 HydrophobicContact CZ-SD 4.07Å
20L96.4Very high96.3Very high50 Ų5040.9 Ų40.926%0.26222%0.221SC..Hα-helixtrans-67.2-48.4170.3-79.3164.7000111.9L16 N22 S23 I25 E28L16-L20 VanDerWaalsContact O-CB 3.25Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 WeakPolarHBondContact O-CD1 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.26Å; L20-N22 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-N 3.15Å; L20-I25 HydrophobicContact CB-CG1 4.47Å; L20-I25 HydrophobicContact CD2-CD1 4.4Å; L20-I25 HydrophobicContact CD2-CG1 3.81Å; L20-I25 HydrophobicContact CG-CD1 3.9Å; L20-I25 HydrophobicContact CG-CG1 3.68Å; L20-E28 HydrophobicContact CD1-CB 4.26Å; L20-E28 HydrophobicContact CD1-CG 3.23Å
21R95.9Very high96.5Very high116 Ų11640.1 Ų40.144%0.43822%0.215SC..Hα-helixtrans-58-32.5177.9-179.5179.463.2-124.6-1.7111.8P8 E13 E17 Y18 S23P8-R21 VanDerWaalsContact CB-NH1 3.3Å; E13-R21 VanDerWaalsContact CD-NH2 3.32Å; E13-R21 IonicContact OE1-CZ 3.29Å; E13-R21 IonicContact OE1-NH1 2.61Å; E13-R21 PolarHBondContact OE1-NH1 2.88Å; E13-R21 IonicContact OE1-NH2 3.66Å; E13-R21 PolarHBondContact OE1-NH2 3.24Å; E13-R21 IonicContact OE2-CZ 3.07Å; E13-R21 IonicContact OE2-NH2 2.75Å; E13-R21 PolarHBondContact OE2-NH2 2.68Å; E17-R21 WeakPolarHBondContact O-CB 3.33Å; E17-R21 PolarHBondContact O-N 3.44Å; Y18-R21 PolarHBondContact O-N 3.45Å; R21-S23 VanDerWaalsContact C-N 3.34Å
22N95.6Very high96.5Very high71 Ų7141.4 Ų41.438%0.3822%0.221SC..THydrogen-bonded Turntrans-90.48.6178.7-68.1-61.9000113.9Y18 L20 Q24Y18-N22 WeakPolarHBondContact CE2-ND2 3.21Å; Y18-N22 PolarHBondContact O-N 3.09Å; Y18-N22 PolarHBondContact O-ND2 3.32Å; L20-N22 PolarHBondContact O-N 3.36Å; N22-Q24 HydrophobicContact CB-CG 4.1Å; N22-Q24 WeakPolarHBondContact O-CG 3.37Å; N22-Q24 PolarHBondContact O-N 3.24Å
23S96.2Very high96.6Very high109 Ų10941 Ų4176%0.76222%0.219SC*.THydrogen-bonded Turntrans56.131.8179.1-54.40000114.2F19 L20 R21F19-S23 PolarHBondContact O-N 2.85Å; L20-S23 PolarHBondContact O-N 3.15Å; R21-S23 VanDerWaalsContact C-N 3.34Å
24Q95.4Very high96.6Very high52 Ų5242.4 Ų42.424%0.24323%0.227CC..SBendtrans-94.7-24.2179.7-60-171.2-10600112.4F19 N22 H54 N97F19-Q24 HydrophobicContact CB-CB 4.3Å; F19-Q24 HydrophobicContact CD1-CB 4.01Å; F19-Q24 HydrophobicContact CD1-CG 4.31Å; F19-Q24 VanDerWaalsContact CD1-OE1 3.27Å; F19-Q24 PolarHBondContact O-N 3.13Å; N22-Q24 HydrophobicContact CB-CG 4.1Å; N22-Q24 WeakPolarHBondContact O-CG 3.37Å; N22-Q24 PolarHBondContact O-N 3.24Å; Q24-H54 PolarHBondContact O-NE2 3.38Å; Q24-N97 PolarHBondContact NE2-ND2 2.82Å
25I96.4Very high96.7Very high10 Ų1041.2 Ų41.25%0.05122%0.219CC..  trans-126.4165.7170.265.1177.6000109.7L16 F19 L20 A27 E32 I33L16-I25 HydrophobicContact CD2-CD1 3.9Å; F19-I25 HydrophobicContact CB-CD1 3.94Å; F19-I25 HydrophobicContact CB-CG1 3.9Å; F19-I25 HydrophobicContact CB-CG2 4.26Å; F19-I25 PolarHBondContact O-N 3.38Å; L20-I25 HydrophobicContact CB-CG1 4.47Å; L20-I25 HydrophobicContact CD2-CD1 4.4Å; L20-I25 HydrophobicContact CD2-CG1 3.81Å; L20-I25 HydrophobicContact CG-CD1 3.9Å; L20-I25 HydrophobicContact CG-CG1 3.68Å; I25-A27 WeakPolarHBondContact CD1-O 3.49Å; I25-E32 HydrophobicContact CB-CB 3.94Å; I25-E32 WeakPolarHBondContact CB-OE2 3.33Å; I25-E32 HydrophobicContact CG2-CB 3.79Å; I25-I33 HydrophobicContact CD1-CD1 3.88Å; I25-I33 HydrophobicContact CG2-CD1 4.21Å
26T95.4Very high96.8Very high129 Ų12942.8 Ų42.879%0.79122%0.224SC*.SBendtrans-112.2-17.1-173.760.70000114.2E32T26-E32 PolarHBondContact N-OE2 3.36Å; T26-E32 PolarHBondContact OG1-OE1 2.88Å; T26-E32 PolarHBondContact OG1-OE2 3.22Å
27A95.6Very high96.8Very high32 Ų3245.6 Ų45.626%0.26424%0.238SC..SBendtrans-141.5159.4174.600000113I25 D29 E32I25-A27 WeakPolarHBondContact CD1-O 3.49Å; A27-D29 PolarHBondContact O-N 3.04Å; A27-E32 WeakPolarHBondContact CB-OE1 3.34Å; A27-E32 PolarHBondContact N-OE1 3.39Å; A27-E32 VanDerWaalsContact N-OE1 3.13Å; A27-E32 PolarHBondContact N-OE2 2.89Å
28E96.4Very high96.8Very high77 Ų7742.4 Ų42.436%0.3623%0.227SC..SBendtrans-72.979.1167.2-65.6179.8150.200109.3L16 L20 K251 K252L16-E28 HydrophobicContact CD1-CB 4.41Å; L20-E28 HydrophobicContact CD1-CB 4.26Å; L20-E28 HydrophobicContact CD1-CG 3.23Å; E28-K251 WeakPolarHBondContact O-CE 3.44Å; E28-K252 HydrophobicContact CB-CD 4.1Å; E28-K252 HydrophobicContact CB-CG 4.05Å; E28-K252 WeakPolarHBondContact O-CG 3.49Å; E28-K252 WeakPolarHBondContact OE2-CE 3.49Å; E28-K252 IonicContact OE2-NZ 2.63Å; E28-K252 PolarHBondContact OE2-NZ 2.93Å
29D97.9Very high96.8Very high6 Ų641.6 Ų41.63%0.03222%0.224CC..  trans-144.4119.6-179.6-163.6-35.6000109.3A27 A31 E32 R246 K251A27-D29 PolarHBondContact O-N 3.04Å; D29-A31 PolarHBondContact O-N 2.71Å; D29-A31 VanDerWaalsContact O-N 3.12Å; D29-A31 WeakPolarHBondContact OD1-CB 3.43Å; D29-A31 PolarHBondContact OD1-N 2.72Å; D29-A31 VanDerWaalsContact OD1-N 3.15Å; D29-E32 HydrophobicContact CB-CG 4.32Å; D29-E32 WeakPolarHBondContact O-CB 3.31Å; D29-E32 PolarHBondContact O-N 3Å; D29-R246 IonicContact OD1-CZ 3.73Å; D29-R246 IonicContact OD1-NH1 2.85Å; D29-R246 PolarHBondContact OD1-NH1 3.08Å; D29-R246 IonicContact OD1-NH2 3.68Å; D29-R246 IonicContact OD2-CZ 3.47Å; D29-R246 IonicContact OD2-NH1 3.36Å; D29-R246 PolarHBondContact OD2-NH1 3.33Å; D29-R246 IonicContact OD2-NH2 2.68Å; D29-R246 PolarHBondContact OD2-NH2 3.29Å; D29-K251 HydrophobicContact CB-CD 4.38Å; D29-K251 WeakPolarHBondContact OD2-CD 3.2Å; D29-K251 IonicContact OD2-NZ 3.48Å; D29-K251 PolarHBondContact OD2-NZ 3.4Å
30G98Very high96.9Very high0 Ų042.1 Ų42.10%023%0.227CC..THydrogen-bonded Turntrans-65.1-15.7-177.600000113.9E32 I33 K251 V254G30-E32 VanDerWaalsContact C-N 3.31Å; G30-I33 PolarHBondContact O-N 3.39Å; G30-K251 PolarHBondContact N-O 3.27Å; G30-V254 CarbonylContact C-O 3.46Å; G30-V254 WeakPolarHBondContact CA-O 3.38Å
31A97.8Very high96.9Very high0 Ų042 Ų420%023%0.225CC..THydrogen-bonded Turntrans-74.3-17170.700000113.7D29 I33 Y256 F266 K267 I270 I272D29-A31 PolarHBondContact O-N 2.71Å; D29-A31 VanDerWaalsContact O-N 3.12Å; D29-A31 WeakPolarHBondContact OD1-CB 3.43Å; D29-A31 PolarHBondContact OD1-N 2.72Å; D29-A31 VanDerWaalsContact OD1-N 3.15Å; A31-I33 VanDerWaalsContact C-N 3.35Å; A31-Y256 HydrophobicContact CB-CD2 3.84Å; A31-Y256 HydrophobicContact CB-CE2 3.96Å; A31-F266 HydrophobicContact CB-CE1 4.1Å; A31-K267 WeakPolarHBondContact O-CE 3.44Å; A31-K267 PolarHBondContact O-NZ 3.42Å; A31-I270 HydrophobicContact CB-CD1 3.62Å; A31-I272 HydrophobicContact CB-CD1 3.6Å
32E97.4Very high97.1Very high31 Ų3139.8 Ų39.815%0.14522%0.219CC..THydrogen-bonded Turntrans-77.6-22.5173-71.1-164.3-144.900112.6I25 T26 A27 D29 G30 T34 H54 I272I25-E32 HydrophobicContact CB-CB 3.94Å; I25-E32 WeakPolarHBondContact CB-OE2 3.33Å; I25-E32 HydrophobicContact CG2-CB 3.79Å; T26-E32 PolarHBondContact N-OE2 3.36Å; T26-E32 PolarHBondContact OG1-OE1 2.88Å; T26-E32 PolarHBondContact OG1-OE2 3.22Å; A27-E32 WeakPolarHBondContact CB-OE1 3.34Å; A27-E32 PolarHBondContact N-OE1 3.39Å; A27-E32 VanDerWaalsContact N-OE1 3.13Å; A27-E32 PolarHBondContact N-OE2 2.89Å; D29-E32 HydrophobicContact CB-CG 4.32Å; D29-E32 WeakPolarHBondContact O-CB 3.31Å; D29-E32 PolarHBondContact O-N 3Å; G30-E32 VanDerWaalsContact C-N 3.31Å; E32-T34 PolarHBondContact O-N 3.28Å; E32-H54 PolarHBondContact O-CE1 3.45Å; E32-H54 PolarHBondContact O-ND1 3.43Å; E32-I272 HydrophobicContact CG-CD1 3.86Å; E32-I272 HydrophobicContact CG-CG1 4.44Å
33I97.8Very high97.2Very high0 Ų039.6 Ų39.60%023%0.227CC..  trans-66.7131.5170.9-54.2-54.3000108.7I15 L16 F19 I25 G30 A31 W35 H54 M55 F255I15-I33 HydrophobicContact CD1-CG1 4.46Å; I15-I33 HydrophobicContact CD1-CG2 3.91Å; I15-I33 HydrophobicContact CG1-CD1 4.27Å; L16-I33 HydrophobicContact CD2-CD1 4.02Å; L16-I33 HydrophobicContact CD2-CG1 3.86Å; F19-I33 HydrophobicContact CB-CD1 4.23Å; F19-I33 HydrophobicContact CD2-CD1 3.52Å; F19-I33 HydrophobicContact CE2-CD1 4.28Å; F19-I33 HydrophobicContact CG-CD1 4.19Å; I25-I33 HydrophobicContact CD1-CD1 3.88Å; I25-I33 HydrophobicContact CG2-CD1 4.21Å; G30-I33 PolarHBondContact O-N 3.39Å; A31-I33 VanDerWaalsContact C-N 3.35Å; I33-W35 HydrophobicContact CG2-CZ2 3.85Å; I33-H54 HydrophobicContact CG2-CB 4.21Å; I33-M55 HydrophobicContact CG2-CG 3.97Å; I33-F255 HydrophobicContact CB-CD1 4.26Å; I33-F255 HydrophobicContact CG1-CD1 3.91Å; I33-F255 HydrophobicContact CG1-CE1 4.05Å
34T96.8Very high97.3Very high31 Ų3137.5 Ų37.519%0.1921%0.205CC..  trans-114.8140.5179.648.90000108E32 T52 A53 H54 M55 K267E32-T34 PolarHBondContact O-N 3.28Å; T34-T52 PolarHBondContact OG1-O 3.01Å; T34-A53 VanDerWaalsContact OG1-CA 3.25Å; T34-A53 WeakPolarHBondContact OG1-CA 3.41Å; T34-H54 PolarHBondContact N-ND1 3.22Å; T34-H54 VanDerWaalsContact N-ND1 3.17Å; T34-H54 PolarHBondContact O-N 3.3Å; T34-H54 PolarHBondContact OG1-CE1 3.41Å; T34-H54 PolarHBondContact OG1-N 3.34Å; T34-H54 PolarHBondContact OG1-ND1 3.06Å; T34-M55 PolarHBondContact O-N 3.38Å; T34-K267 VanDerWaalsContact CG2-NZ 3.33Å
35W97.8Very high97.5Very high31 Ų3135.2 Ų35.212%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-118.5138.3-173.2-6081.5000108.8I15 I33 M55 K101 W129 F255 D257I15-W35 HydrophobicContact CD1-CH2 4.26Å; I15-W35 HydrophobicContact CD1-CZ2 4.34Å; I33-W35 HydrophobicContact CG2-CZ2 3.85Å; W35-M55 WeakPolarHBondContact CA-O 3.33Å; W35-M55 HydrophobicContact CD2-CB 3.89Å; W35-M55 HydrophobicContact CD2-CG 4.38Å; W35-M55 HydrophobicContact CE3-CB 3.38Å; W35-M55 HydrophobicContact CE3-CG 4.05Å; W35-M55 HydrophobicContact CH2-CB 3.99Å; W35-M55 HydrophobicContact CH2-CE 4.14Å; W35-M55 HydrophobicContact CH2-CG 3.72Å; W35-M55 HydrophobicContact CZ2-CB 4.49Å; W35-M55 HydrophobicContact CZ2-CG 4.13Å; W35-M55 HydrophobicContact CZ3-CB 3.44Å; W35-M55 VanDerWaalsContact CZ3-CB 3.44Å; W35-M55 HydrophobicContact CZ3-CE 4.05Å; W35-M55 HydrophobicContact CZ3-CG 3.7Å; W35-K101 HydrophobicContact CZ3-CB 4.26Å; W35-K101 HydrophobicContact CZ3-CD 4.03Å; W35-W129 HydrophobicContact CH2-CD2 4.32Å; W35-W129 AromaticContact CH2-CE3 3.62Å; W35-W129 HydrophobicContact CH2-CE3 3.62Å; W35-W129 AromaticContact CH2-CH2 3.71Å; W35-W129 HydrophobicContact CH2-CH2 3.71Å; W35-W129 HydrophobicContact CH2-CZ2 4.4Å; W35-W129 AromaticContact CH2-CZ3 3.26Å; W35-W129 HydrophobicContact CH2-CZ3 3.26Å; W35-W129 HydrophobicContact CZ2-CH2 4Å; W35-W129 AromaticContact CZ2-CZ3 3.86Å; W35-W129 HydrophobicContact CZ2-CZ3 3.86Å; W35-W129 HydrophobicContact CZ3-CE3 4.24Å; W35-W129 HydrophobicContact CZ3-CZ3 4.23Å; W35-F255 HydrophobicContact CZ2-CB 4.04Å; W35-F255 HydrophobicContact CZ2-CG 4.45Å; W35-D257 HydrophobicContact CB-CB 4.09Å; W35-D257 WeakPolarHBondContact CB-OD1 3.43Å; W35-D257 HydrophobicContact CD2-CB 4.12Å; W35-D257 HydrophobicContact CG-CB 3.84Å
36Y98Very high97.5Very high36 Ų3638 Ų3814%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-102.9113159.8-167.7-71.6000107A39 Q44 E47 A48 M55 E57Y36-A39 HydrophobicContact CD1-CB 3.84Å; Y36-A39 HydrophobicContact CE1-CB 4Å; Y36-Q44 HydrophobicContact CE1-CB 4.06Å; Y36-Q44 PolarHBondContact OH-O 3.21Å; Y36-E47 HydrophobicContact CE2-CB 4.08Å; Y36-E47 HydrophobicContact CE2-CG 3.82Å; Y36-E47 VanDerWaalsContact OH-CD 3.25Å; Y36-E47 PolarHBondContact OH-OE2 2.87Å; Y36-A48 HydrophobicContact CD1-CB 3.5Å; Y36-A48 VanDerWaalsContact CD2-CA 3.45Å; Y36-A48 HydrophobicContact CD2-CB 3.65Å; Y36-A48 HydrophobicContact CE1-CB 3.91Å; Y36-A48 HydrophobicContact CE2-CB 4.04Å; Y36-A48 HydrophobicContact CG-CB 3.35Å; Y36-M55 PolarHBondContact N-O 3.31Å; Y36-E57 PolarHBondContact O-N 3.29Å
37H96.9Very high97.7Very high64 Ų6437.4 Ų37.430%0.29620%0.198SC..  trans-87.4141.1-174.9-175.179.5000111.8A39 E57 D257 L259H37-A39 PolarHBondContact O-N 3.15Å; H37-E57 IonicContact CE1-OE2 3.92Å; H37-E57 IonicContact CG-OE2 3.77Å; H37-E57 IonicContact ND1-OE2 2.78Å; H37-D257 IonicContact CE1-OD2 3.88Å; H37-D257 IonicContact CG-OD2 3.36Å; H37-D257 IonicContact ND1-OD1 3.46Å; H37-D257 IonicContact ND1-OD2 3.85Å; H37-D257 PolarHBondContact ND1-OD2 3.2Å; H37-L259 HydrophobicContact CB-CD2 4.49Å
38A96.7Very high97.8Very high29 Ų2935.9 Ų35.924%0.2419%0.185CC..  trans53.652.3173.700000114.5N40 E57A38-N40 PolarHBondContact O-N 2.85Å; A38-E57 WeakPolarHBondContact CA-OE2 3.05Å; A38-E57 PolarHBondContact N-O 3.18Å; A38-E57 PolarHBondContact N-OE2 2.81Å
39A98Very high97.9Very high0 Ų034 Ų340%018%0.177CC..  trans-74.952.9176.200000113.1Y36 H37 A48 I56 E57 A58 W89Y36-A39 HydrophobicContact CD1-CB 3.84Å; Y36-A39 HydrophobicContact CE1-CB 4Å; H37-A39 PolarHBondContact O-N 3.15Å; A39-A48 HydrophobicContact CB-CB 4.2Å; A39-I56 HydrophobicContact CB-CG2 3.36Å; A39-E57 WeakPolarHBondContact CB-O 3.29Å; A39-E57 PolarHBondContact N-O 3.48Å; A39-A58 HydrophobicContact CB-CB 4.3Å; A39-W89 PolarHBondContact O-NE1 2.78Å
40N98.1Very high97.8Very high11 Ų1142.1 Ų42.16%0.05921%0.212CC..  trans-80.3-39.9-164.9-66.9-21.3000113.3A38 A58 D59 M74 S82 N84A38-N40 PolarHBondContact O-N 2.85Å; N40-A58 WeakPolarHBondContact OD1-CA 3.26Å; N40-D59 PolarHBondContact ND2-OD2 2.98Å; N40-D59 PolarHBondContact OD1-N 3.17Å; N40-D59 PolarHBondContact OD1-OD2 3.26Å; N40-M74 WeakPolarHBondContact O-CB 3.47Å; N40-S82 PolarHBondContact O-OG 2.93Å; N40-N84 WeakPolarHBondContact O-CB 3.44Å
41H98Very high97.8Very high48 Ų4843.8 Ų43.822%0.22222%0.224CC..SBendtrans-97.6164.4178.1-46-67.3000112.3A43 Q44 M45 E79 S82 D83H41-A43 PolarHBondContact O-N 3.05Å; H41-A43 VanDerWaalsContact O-N 3.16Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 PolarHBondContact O-N 3.33Å; H41-M45 WeakPolarHBondContact O-CB 3.15Å; H41-M45 PolarHBondContact O-N 3.04Å; H41-E79 IonicContact CE1-OE2 3.79Å; H41-E79 PolarHBondContact CE1-OE2 3.41Å; H41-E79 IonicContact NE2-OE2 3.8Å; H41-E79 PolarHBondContact NE2-OE2 2.85Å; H41-S82 PolarHBondContact ND1-OG 3.04Å; H41-D83 VanDerWaalsContact CA-OD1 3.24Å; H41-D83 WeakPolarHBondContact CA-OD1 3.33Å; H41-D83 WeakPolarHBondContact CB-OD1 3.13Å; H41-D83 IonicContact CG-OD1 3.31Å; H41-D83 IonicContact ND1-OD1 3.01Å
42K98.5Very high97.6Very high69 Ų6949.4 Ų49.430%0.326%0.258SS..Hα-helixtrans-56.2-34.4179.5-74.9175.2169.3146.70112.3N46 D83 N84 E88K42-N46 WeakPolarHBondContact O-CB 3.49Å; K42-N46 VanDerWaalsContact O-CG 3.28Å; K42-N46 PolarHBondContact O-N 3.36Å; K42-N46 PolarHBondContact O-ND2 3.43Å; K42-D83 WeakPolarHBondContact CD-O 3.44Å; K42-D83 WeakPolarHBondContact CE-O 3.49Å; K42-D83 PolarHBondContact N-OD1 3.49Å; K42-D83 PolarHBondContact NZ-O 2.95Å; K42-N84 HydrophobicContact CG-CB 3.91Å; K42-E88 WeakPolarHBondContact CE-OE1 3.12Å; K42-E88 VanDerWaalsContact NZ-CD 3.34Å; K42-E88 IonicContact NZ-OE1 3.45Å; K42-E88 PolarHBondContact NZ-OE1 3.28Å; K42-E88 IonicContact NZ-OE2 2.76Å; K42-E88 PolarHBondContact NZ-OE2 3.02Å
43A98.4Very high97.6Very high66 Ų6648.1 Ų48.155%0.54525%0.253SS..Hα-helixtrans-63.7-53.9177.200000112H41 M45 N46 E47H41-A43 PolarHBondContact O-N 3.05Å; H41-A43 VanDerWaalsContact O-N 3.16Å; A43-M45 PolarHBondContact O-N 2.77Å; A43-N46 PolarHBondContact O-N 2.89Å; A43-E47 PolarHBondContact O-N 3.33Å
44Q98.4Very high97.6Very high66 Ų6649 Ų4931%0.30826%0.257SS..Hα-helixtrans-64-41.1179.4-72.879.2-4.800111.4Y36 H41 N46 E47 A48Y36-Q44 HydrophobicContact CE1-CB 4.06Å; Y36-Q44 PolarHBondContact OH-O 3.21Å; H41-Q44 VanDerWaalsContact CB-OE1 3.23Å; H41-Q44 PolarHBondContact O-N 3.33Å; Q44-N46 VanDerWaalsContact C-N 3.34Å; Q44-N46 PolarHBondContact O-N 3.17Å; Q44-E47 WeakPolarHBondContact O-CB 3.32Å; Q44-E47 PolarHBondContact O-N 3.34Å; Q44-A48 WeakPolarHBondContact O-CB 3.22Å; Q44-A48 PolarHBondContact O-N 2.94Å
45M98.4Very high97.7Very high4 Ų447.6 Ų47.62%0.0225%0.248CC..Hα-helixtrans-57.8-46.3173.5-179.9-171.367.900111.5H41 A43 E47 A48 L49 N84 W89 E92 V93H41-M45 WeakPolarHBondContact O-CB 3.15Å; H41-M45 PolarHBondContact O-N 3.04Å; A43-M45 PolarHBondContact O-N 2.77Å; M45-E47 VanDerWaalsContact C-N 3.31Å; M45-E47 PolarHBondContact O-N 2.85Å; M45-A48 WeakPolarHBondContact O-CB 3.23Å; M45-A48 PolarHBondContact O-N 3.2Å; M45-L49 HydrophobicContact CG-CD1 4.09Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.12Å; M45-N84 PolarHBondContact SD-ND2 2.75Å; M45-W89 HydrophobicContact CG-CG 4.47Å; M45-W89 VanDerWaalsContact SD-CA 3.58Å; M45-W89 HydrophobicContact SD-CB 4.06Å; M45-W89 VanDerWaalsContact SD-CD1 3.51Å; M45-W89 HydrophobicContact SD-CD2 4.45Å; M45-W89 HydrophobicContact SD-CG 3.73Å; M45-E92 HydrophobicContact CE-CB 3.67Å; M45-E92 HydrophobicContact CE-CG 3.61Å; M45-E92 HydrophobicContact SD-CB 3.88Å; M45-E92 HydrophobicContact SD-CG 4.4Å; M45-V93 HydrophobicContact CG-CG2 4.2Å; M45-V93 HydrophobicContact SD-CG2 4.32Å
46N98.4Very high97.7Very high69 Ų6946.1 Ų46.137%0.36924%0.243SC..Hα-helixtrans-65.2-33.6178-80.1-49.8000113.1K42 A43 Q44 K50K42-N46 WeakPolarHBondContact O-CB 3.49Å; K42-N46 VanDerWaalsContact O-CG 3.28Å; K42-N46 PolarHBondContact O-N 3.36Å; K42-N46 PolarHBondContact O-ND2 3.43Å; A43-N46 PolarHBondContact O-N 2.89Å; Q44-N46 VanDerWaalsContact C-N 3.34Å; Q44-N46 PolarHBondContact O-N 3.17Å; N46-K50 WeakPolarHBondContact O-CD 3.33Å; N46-K50 WeakPolarHBondContact O-CG 3.25Å; N46-K50 PolarHBondContact O-N 2.94Å
47E98.3Very high97.8Very high116 Ų11644.4 Ų44.454%0.54224%0.236SC..Hα-helixtrans-66.9-48.9172.3-171-173.2171.200110.9Y36 A43 Q44 M45 L49 K50 S51Y36-E47 HydrophobicContact CE2-CB 4.08Å; Y36-E47 HydrophobicContact CE2-CG 3.82Å; Y36-E47 VanDerWaalsContact OH-CD 3.25Å; Y36-E47 PolarHBondContact OH-OE2 2.87Å; A43-E47 PolarHBondContact O-N 3.33Å; Q44-E47 WeakPolarHBondContact O-CB 3.32Å; Q44-E47 PolarHBondContact O-N 3.34Å; M45-E47 VanDerWaalsContact C-N 3.31Å; M45-E47 PolarHBondContact O-N 2.85Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 3.45Å; E47-K50 CarbonylContact O-C 3.47Å; E47-K50 PolarHBondContact O-N 3.49Å; E47-S51 WeakPolarHBondContact O-CB 3.24Å; E47-S51 PolarHBondContact O-N 3.22Å
48A98Very high97.8Very high0 Ų041.4 Ų41.40%022%0.222CC..Hα-helixtrans-55.5-43.4178.400000112.2Y36 A39 Q44 M45 K50 S51 I56Y36-A48 HydrophobicContact CD1-CB 3.5Å; Y36-A48 VanDerWaalsContact CD2-CA 3.45Å; Y36-A48 HydrophobicContact CD2-CB 3.65Å; Y36-A48 HydrophobicContact CE1-CB 3.91Å; Y36-A48 HydrophobicContact CE2-CB 4.04Å; Y36-A48 HydrophobicContact CG-CB 3.35Å; A39-A48 HydrophobicContact CB-CB 4.2Å; Q44-A48 WeakPolarHBondContact O-CB 3.22Å; Q44-A48 PolarHBondContact O-N 2.94Å; M45-A48 WeakPolarHBondContact O-CB 3.23Å; M45-A48 PolarHBondContact O-N 3.2Å; A48-K50 VanDerWaalsContact C-N 3.28Å; A48-K50 PolarHBondContact O-N 3.44Å; A48-S51 PolarHBondContact O-N 3.11Å; A48-S51 PolarHBondContact O-OG 2.89Å; A48-I56 HydrophobicContact CB-CD1 3.68Å; A48-I56 HydrophobicContact CB-CG1 3.94Å; A48-I56 HydrophobicContact CB-CG2 3.9Å
49L97.8Very high97.9Very high36 Ų3640.1 Ų40.119%0.18821%0.211CC..Hα-helixtrans-63.5-31.1178-69.2169.2000113.3M45 E47 I56 E92 V93M45-L49 HydrophobicContact CG-CD1 4.09Å; M45-L49 WeakPolarHBondContact O-CG 3.43Å; M45-L49 PolarHBondContact O-N 3.12Å; E47-L49 VanDerWaalsContact C-N 3.29Å; E47-L49 PolarHBondContact O-N 3.45Å; L49-I56 HydrophobicContact CD2-CD1 3.97Å; L49-I56 HydrophobicContact CG-CD1 4.35Å; L49-E92 HydrophobicContact CD1-CB 4.07Å; L49-V93 HydrophobicContact CD2-CG2 4.14Å
50K97.4Very high97.9Very high178 Ų17840.1 Ų40.177%0.77421%0.211SC*.Hα-helixtrans-90.1-16.6178.4-66170.9-171.6172.20113.2N46 E47 A48N46-K50 WeakPolarHBondContact O-CD 3.33Å; N46-K50 WeakPolarHBondContact O-CG 3.25Å; N46-K50 PolarHBondContact O-N 2.94Å; E47-K50 CarbonylContact O-C 3.47Å; E47-K50 PolarHBondContact O-N 3.49Å; A48-K50 VanDerWaalsContact C-N 3.28Å; A48-K50 PolarHBondContact O-N 3.44Å
51S96.3Very high97.8Very high35 Ų3540 Ų4025%0.24521%0.211CC..SBendtrans-71.8171.7-178.279.20000112.9E47 A48 A53 K98E47-S51 WeakPolarHBondContact O-CB 3.24Å; E47-S51 PolarHBondContact O-N 3.22Å; A48-S51 PolarHBondContact O-N 3.11Å; A48-S51 PolarHBondContact O-OG 2.89Å; S51-A53 PolarHBondContact O-N 2.95Å; S51-A53 VanDerWaalsContact OG-CB 3.23Å; S51-A53 WeakPolarHBondContact OG-CB 3.36Å; S51-A53 PolarHBondContact OG-N 3.27Å; S51-A53 VanDerWaalsContact OG-N 3.11Å; S51-K98 PolarHBondContact O-NZ 3.13Å
52T94.7Very high97.6Very high117 Ų11739.8 Ų39.872%0.71821%0.211SC*.SBendtrans-81.54.5171.155.30000113.3T34T34-T52 PolarHBondContact OG1-O 3.01Å
53A97Very high97.1Very high5 Ų537.2 Ų37.24%0.04120%0.201CC..  trans-58.3142.817800000111.6T34 S51 K98T34-A53 VanDerWaalsContact OG1-CA 3.25Å; T34-A53 WeakPolarHBondContact OG1-CA 3.41Å; S51-A53 PolarHBondContact O-N 2.95Å; S51-A53 VanDerWaalsContact OG-CB 3.23Å; S51-A53 WeakPolarHBondContact OG-CB 3.36Å; S51-A53 PolarHBondContact OG-N 3.27Å; S51-A53 VanDerWaalsContact OG-N 3.11Å; A53-K98 WeakPolarHBondContact O-CD 3.38Å; A53-K98 VanDerWaalsContact O-CE 3.27Å; A53-K98 WeakPolarHBondContact O-CE 3.48Å; A53-K98 PolarHBondContact O-NZ 3.18Å
54H98Very high96.1Very high19 Ų1939.5 Ų39.59%0.08821%0.213CC..SBendtrans-87.3-42.5172.9-67.3114.7000110.6F19 Q24 E32 I33 T34 K98 G99F19-H54 HydrophobicContact CD1-CB 4.26Å; F19-H54 AromaticContact CD1-CD2 3.84Å; F19-H54 HydrophobicContact CD2-CB 4.22Å; F19-H54 HydrophobicContact CE1-CB 3.88Å; F19-H54 HydrophobicContact CE2-CB 3.82Å; F19-H54 HydrophobicContact CG-CB 4.45Å; F19-H54 HydrophobicContact CZ-CB 3.66Å; F19-H54 VanDerWaalsContact CZ-O 3.28Å; F19-H54 WeakPolarHBondContact CZ-O 3.48Å; Q24-H54 PolarHBondContact O-NE2 3.38Å; E32-H54 PolarHBondContact O-CE1 3.45Å; E32-H54 PolarHBondContact O-ND1 3.43Å; I33-H54 HydrophobicContact CG2-CB 4.21Å; T34-H54 PolarHBondContact N-ND1 3.22Å; T34-H54 VanDerWaalsContact N-ND1 3.17Å; T34-H54 PolarHBondContact O-N 3.3Å; T34-H54 PolarHBondContact OG1-CE1 3.41Å; T34-H54 PolarHBondContact OG1-N 3.34Å; T34-H54 PolarHBondContact OG1-ND1 3.06Å; H54-K98 WeakPolarHBondContact O-CA 3.43Å; H54-G99 PolarHBondContact O-N 3.32Å
55M98.5Very high94.8Very high0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-113.2139.7179.8-64.7-65-7200110.6I15 F19 I33 T34 W35 Y36 G99 I100 W129I15-M55 HydrophobicContact CD1-CE 3.99Å; I15-M55 HydrophobicContact CD1-CG 3.44Å; I15-M55 VanDerWaalsContact CD1-CG 3.44Å; I15-M55 HydrophobicContact CD1-SD 3.41Å; I15-M55 WeakPolarHBondContact CD1-SD 3.21Å; I15-M55 HydrophobicContact CG1-SD 4.21Å; F19-M55 HydrophobicContact CE2-CG 4.27Å; F19-M55 HydrophobicContact CE2-SD 3.92Å; F19-M55 HydrophobicContact CZ-SD 4.07Å; I33-M55 HydrophobicContact CG2-CG 3.97Å; T34-M55 PolarHBondContact O-N 3.38Å; W35-M55 WeakPolarHBondContact CA-O 3.33Å; W35-M55 HydrophobicContact CD2-CB 3.89Å; W35-M55 HydrophobicContact CD2-CG 4.38Å; W35-M55 HydrophobicContact CE3-CB 3.38Å; W35-M55 HydrophobicContact CE3-CG 4.05Å; W35-M55 HydrophobicContact CH2-CB 3.99Å; W35-M55 HydrophobicContact CH2-CE 4.14Å; W35-M55 HydrophobicContact CH2-CG 3.72Å; W35-M55 HydrophobicContact CZ2-CB 4.49Å; W35-M55 HydrophobicContact CZ2-CG 4.13Å; W35-M55 HydrophobicContact CZ3-CB 3.44Å; W35-M55 VanDerWaalsContact CZ3-CB 3.44Å; W35-M55 HydrophobicContact CZ3-CE 4.05Å; W35-M55 HydrophobicContact CZ3-CG 3.7Å; Y36-M55 PolarHBondContact N-O 3.31Å; M55-G99 WeakPolarHBondContact CA-O 3.48Å; M55-G99 VanDerWaalsContact SD-C 3.55Å; M55-G99 WeakPolarHBondContact SD-CA 3.37Å; M55-I100 WeakPolarHBondContact CE-O 3.49Å; M55-W129 HydrophobicContact CE-CD2 4.3Å; M55-W129 HydrophobicContact CE-CG 4.19Å
56I98.6Very high93.2Very high0 Ų044.7 Ų44.70%026%0.262CS..EExtended strand (participates in β ladder)trans-109.8122.7168.8-54.6177.1000107.7A39 A48 L49 W89 K98 G99 I100 K101A39-I56 HydrophobicContact CB-CG2 3.36Å; A48-I56 HydrophobicContact CB-CD1 3.68Å; A48-I56 HydrophobicContact CB-CG1 3.94Å; A48-I56 HydrophobicContact CB-CG2 3.9Å; L49-I56 HydrophobicContact CD2-CD1 3.97Å; L49-I56 HydrophobicContact CG-CD1 4.35Å; I56-W89 HydrophobicContact CB-CZ2 4.26Å; I56-W89 HydrophobicContact CG2-CH2 4.46Å; I56-W89 HydrophobicContact CG2-CZ2 3.7Å; I56-K98 HydrophobicContact CD1-CB 3.85Å; I56-K98 HydrophobicContact CD1-CG 3.77Å; I56-K98 HydrophobicContact CG1-CB 3.97Å; I56-K98 HydrophobicContact CG1-CG 4.17Å; I56-G99 PolarHBondContact N-O 2.99Å; I56-I100 CarbonylContact O-C 3.42Å; I56-I100 WeakPolarHBondContact O-CA 3.41Å; I56-K101 PolarHBondContact O-N 3.44Å
57E98.6Very high91.9Very high1 Ų144.1 Ų44.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-100.3140.4172.7-174.5-72.7138.300109.2Y36 H37 A38 A39 K101 D103Y36-E57 PolarHBondContact O-N 3.29Å; H37-E57 IonicContact CE1-OE2 3.92Å; H37-E57 IonicContact CG-OE2 3.77Å; H37-E57 IonicContact ND1-OE2 2.78Å; A38-E57 WeakPolarHBondContact CA-OE2 3.05Å; A38-E57 PolarHBondContact N-O 3.18Å; A38-E57 PolarHBondContact N-OE2 2.81Å; A39-E57 WeakPolarHBondContact CB-O 3.29Å; A39-E57 PolarHBondContact N-O 3.48Å; E57-K101 VanDerWaalsContact CA-O 3.29Å; E57-K101 WeakPolarHBondContact CA-O 3.28Å; E57-K101 HydrophobicContact CB-CB 4.13Å; E57-K101 HydrophobicContact CB-CD 4.39Å; E57-K101 HydrophobicContact CG-CB 4.1Å; E57-K101 HydrophobicContact CG-CD 3.8Å; E57-K101 HydrophobicContact CG-CG 3.99Å; E57-D103 WeakPolarHBondContact OE1-CB 3.1Å
58A98.4Very high90.2Very high0 Ų047.5 Ų47.50%028%0.279CS..EExtended strand (participates in β ladder)trans-154.6148.917100000111.8A39 N40 M74 W89 K101 L102 D103A39-A58 HydrophobicContact CB-CB 4.3Å; N40-A58 WeakPolarHBondContact OD1-CA 3.26Å; A58-M74 HydrophobicContact CB-CE 3.12Å; A58-W89 HydrophobicContact CB-CZ2 4Å; A58-K101 PolarHBondContact N-O 2.88Å; A58-L102 WeakPolarHBondContact O-CA 3.07Å; A58-D103 PolarHBondContact O-N 2.7Å
59D98.6Very high88.8Confident3 Ų355.4 Ų55.42%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-87.7138.6-173.3-56.2-77.8000111.3N40 M74 A75 H76 D103 K105N40-D59 PolarHBondContact ND2-OD2 2.98Å; N40-D59 PolarHBondContact OD1-N 3.17Å; N40-D59 PolarHBondContact OD1-OD2 3.26Å; D59-M74 CarbonylContact O-C 3.49Å; D59-M74 WeakPolarHBondContact O-CA 3.49Å; D59-A75 WeakPolarHBondContact CB-O 3.34Å; D59-A75 PolarHBondContact O-N 3.15Å; D59-H76 HydrophobicContact CB-CB 3.97Å; D59-H76 IonicContact OD1-CD2 3.98Å; D59-H76 PolarHBondContact OD1-CD2 3.08Å; D59-H76 VanDerWaalsContact OD1-CD2 3.29Å; D59-H76 WeakPolarHBondContact OD2-CB 3.47Å; D59-H76 IonicContact OD2-CD2 4Å; D59-H76 IonicContact OD2-CG 2.64Å; D59-D103 CarbonylContact C-O 3.56Å; D59-D103 VanDerWaalsContact CA-O 3.27Å; D59-D103 WeakPolarHBondContact CA-O 3.2Å; D59-K105 HydrophobicContact CB-CG 4.25Å; D59-K105 WeakPolarHBondContact OD1-CE 3.25Å; D59-K105 IonicContact OD1-NZ 3.99Å; D59-K105 PolarHBondContact OD1-NZ 3.38Å
60V98.4Very high88.1Confident0 Ų054.6 Ų54.60%031%0.313CS..EExtended strand (participates in β ladder)trans-123.2125.7-176-1730000110.4P72 I73 M74 L86 L102 D103 F104 K105 A109 S113V60-P72 HydrophobicContact CG1-CB 3.92Å; V60-I73 WeakPolarHBondContact CA-O 3.42Å; V60-M74 HydrophobicContact CG2-CE 4.21Å; V60-M74 HydrophobicContact CG2-SD 4.08Å; V60-L86 HydrophobicContact CG1-CD2 4.26Å; V60-L86 HydrophobicContact CG2-CD1 4.5Å; V60-L102 HydrophobicContact CG2-CB 4.1Å; V60-L102 HydrophobicContact CG2-CD2 4.09Å; V60-D103 PolarHBondContact N-O 3.24Å; V60-F104 HydrophobicContact CB-CD1 4.12Å; V60-F104 HydrophobicContact CB-CE1 4.12Å; V60-F104 HydrophobicContact CG1-CD1 4.17Å; V60-F104 HydrophobicContact CG1-CE1 3.85Å; V60-F104 HydrophobicContact CG1-CZ 4.44Å; V60-F104 WeakPolarHBondContact O-CA 3.46Å; V60-K105 PolarHBondContact O-N 3.3Å; V60-A109 HydrophobicContact CG1-CB 4.13Å; V60-S113 WeakPolarHBondContact CG1-OG 3.35Å
61L95.7Very high87.8Confident9 Ų950.7 Ų50.75%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-140.6162.3170.163.980.9000112I73 A75 P77 K105 S106L61-I73 HydrophobicContact CD1-CD1 3.91Å; L61-I73 HydrophobicContact CD1-CG1 3.79Å; L61-I73 HydrophobicContact CG-CG1 4.38Å; L61-I73 PolarHBondContact N-O 3Å; L61-I73 VanDerWaalsContact N-O 3.14Å; L61-I73 PolarHBondContact O-N 3.26Å; L61-A75 HydrophobicContact CD1-CB 4.43Å; L61-A75 HydrophobicContact CD2-CB 3.93Å; L61-A75 WeakPolarHBondContact CD2-O 3.45Å; L61-A75 HydrophobicContact CG-CB 4.03Å; L61-P77 HydrophobicContact CD2-CG 4.18Å; L61-K105 HydrophobicContact CB-CB 4.28Å; L61-S106 WeakPolarHBondContact CA-OG 3.27Å
62L93.9Very high87.9Confident42 Ų4249.2 Ų49.222%0.2229%0.287CS..  trans-91.4124.2170.7-160.370000108.1S64 S70 P72 S106 A108 A109L62-S64 PolarHBondContact O-N 3.46Å; L62-S70 VanDerWaalsContact CD1-O 3.3Å; L62-S70 WeakPolarHBondContact CD1-O 3.2Å; L62-P72 HydrophobicContact CD1-CG 4.33Å; L62-S106 PolarHBondContact N-OG 2.93Å; L62-S106 VanDerWaalsContact N-OG 3.14Å; L62-A108 HydrophobicContact CB-CB 4.23Å; L62-A108 HydrophobicContact CD2-CB 3.84Å; L62-A109 HydrophobicContact CB-CB 4.17Å
63P88.2Confident88Confident16 Ų1644.2 Ų44.210%0.10426%0.256CS..  trans-54.2138.4176.6-21.129.3000110.9D65 Q71 I73P63-D65 HydrophobicContact CB-CB 4.48Å; P63-D65 PolarHBondContact O-N 2.86Å; P63-Q71 WeakPolarHBondContact CD-O 3.41Å; P63-I73 HydrophobicContact CG-CB 4.41Å; P63-I73 HydrophobicContact CG-CD1 3.87Å; P63-I73 HydrophobicContact CG-CG1 3.83Å; P63-I73 HydrophobicContact CG-CG2 3.76Å
64S75.9Confident88Confident113 Ų11344 Ų4479%0.7925%0.254SS*.  trans-8947.8173.6-60.60000111.1L62 G66L62-S64 PolarHBondContact O-N 3.46Å; S64-G66 VanDerWaalsContact C-N 3.32Å
65D72.5Confident88Confident100 Ų10043.1 Ų43.154%0.53525%0.25SS..SBendtrans-87.7-2.1-179.564.2-0.8000113.2P63 S67 S70P63-D65 HydrophobicContact CB-CB 4.48Å; P63-D65 PolarHBondContact O-N 2.86Å; D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3.39Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 VanDerWaalsContact OD1-N 3.16Å; D65-S70 PolarHBondContact OD1-OG 3.32Å
66G63.3Low87.8Confident80 Ų8047.2 Ų47.283%0.82527%0.269SS*.  trans76.39.8177.300000114.2S64S64-G66 VanDerWaalsContact C-N 3.32Å
67S71.1Confident87.5Confident57 Ų5750 Ų5040%0.39929%0.287SS..  trans-83.8138.6177.7107.50000111.2D65 H69 S70D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3.39Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 VanDerWaalsContact OD1-N 3.16Å; S67-H69 PolarHBondContact O-N 3.11Å; S67-H69 PolarHBondContact OG-N 3.31Å; S67-S70 WeakPolarHBondContact CB-OG 3.42Å; S67-S70 PolarHBondContact O-OG 3Å; S67-S70 WeakPolarHBondContact OG-CA 3.37Å; S67-S70 PolarHBondContact OG-N 3.21Å; S67-S70 PolarHBondContact OG-OG 3.25Å
68E63.1Low87.1Confident187 Ų18756.1 Ų56.187%0.87433%0.327SS*.THydrogen-bonded Turntrans-71.4-7.6174.4-67.1-171.9165.300112.9
69H68.9Low86.8Confident165 Ų16560.9 Ų60.976%0.76435%0.349SS*.THydrogen-bonded Turntrans-120.422.1-176.8-59.6-40.7000112.5S67 Q71S67-H69 PolarHBondContact O-N 3.11Å; S67-H69 PolarHBondContact OG-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.06Å
70S82.5Confident86.4Confident19 Ų1963.8 Ų63.813%0.13337%0.367CS..PPolyproline II helixtrans-60.9132.3-179-51.80000108.8L62 D65 S67L62-S70 VanDerWaalsContact CD1-O 3.3Å; L62-S70 WeakPolarHBondContact CD1-O 3.2Å; D65-S70 PolarHBondContact OD1-OG 3.32Å; S67-S70 WeakPolarHBondContact CB-OG 3.42Å; S67-S70 PolarHBondContact O-OG 3Å; S67-S70 WeakPolarHBondContact OG-CA 3.37Å; S67-S70 PolarHBondContact OG-N 3.21Å; S67-S70 PolarHBondContact OG-OG 3.25Å
71Q92.6Very high86Confident96 Ų9669.3 Ų69.345%0.44940%0.397SS..PPolyproline II helixtrans-94.6147.4177.1-65.8-172.2-22.600109.5P63 H69 I73P63-Q71 WeakPolarHBondContact CD-O 3.41Å; H69-Q71 PolarHBondContact O-N 3.06Å; Q71-I73 PolarHBondContact O-N 3.12Å
72P97Very high85.9Confident4 Ų470.5 Ų70.53%0.02641%0.406CS..PPolyproline II helixtrans-58135.7172.5-23.933.8000111.3V60 L62 L86 A109 P112 S113 L116V60-P72 HydrophobicContact CG1-CB 3.92Å; L62-P72 HydrophobicContact CD1-CG 4.33Å; P72-L86 HydrophobicContact CB-CB 4.02Å; P72-L86 HydrophobicContact CB-CD2 4.09Å; P72-L86 WeakPolarHBondContact O-CB 3.4Å; P72-L86 PolarHBondContact O-N 2.97Å; P72-A109 HydrophobicContact CB-CB 4.48Å; P72-P112 HydrophobicContact CG-CB 3.66Å; P72-S113 WeakPolarHBondContact CB-OG 3.46Å; P72-S113 WeakPolarHBondContact CG-OG 3.41Å; P72-L116 HydrophobicContact CG-CD1 4.43Å
73I97.3Very high86Confident13 Ų1372.6 Ų72.67%0.06742%0.417CS..EExtended strand (participates in β ladder)trans-119160.5176.862.6163.9000110.5V60 L61 P63 Q71 A75 T80 N81 T85V60-I73 WeakPolarHBondContact CA-O 3.42Å; L61-I73 HydrophobicContact CD1-CD1 3.91Å; L61-I73 HydrophobicContact CD1-CG1 3.79Å; L61-I73 HydrophobicContact CG-CG1 4.38Å; L61-I73 PolarHBondContact N-O 3Å; L61-I73 VanDerWaalsContact N-O 3.14Å; L61-I73 PolarHBondContact O-N 3.26Å; P63-I73 HydrophobicContact CG-CB 4.41Å; P63-I73 HydrophobicContact CG-CD1 3.87Å; P63-I73 HydrophobicContact CG-CG1 3.83Å; P63-I73 HydrophobicContact CG-CG2 3.76Å; Q71-I73 PolarHBondContact O-N 3.12Å; I73-A75 HydrophobicContact CD1-CB 3.98Å; I73-A75 HydrophobicContact CG1-CB 4.27Å; I73-A75 PolarHBondContact O-N 3.32Å; I73-T80 WeakPolarHBondContact CD1-O 3.41Å; I73-N81 VanDerWaalsContact CD1-CA 3.49Å; I73-T85 HydrophobicContact CG2-CG2 4.4Å
74M98Very high86.5Confident0 Ų071.8 Ų71.80%041%0.412CS..EExtended strand (participates in β ladder)trans-89.298.5177.9-53.1-55.2-72.700109.6N40 A58 D59 V60 S82 N84 L86 W89 L102N40-M74 WeakPolarHBondContact O-CB 3.47Å; A58-M74 HydrophobicContact CB-CE 3.12Å; D59-M74 CarbonylContact O-C 3.49Å; D59-M74 WeakPolarHBondContact O-CA 3.49Å; V60-M74 HydrophobicContact CG2-CE 4.21Å; V60-M74 HydrophobicContact CG2-SD 4.08Å; M74-S82 WeakPolarHBondContact O-CB 3.27Å; M74-S82 PolarHBondContact O-OG 2.92Å; M74-N84 HydrophobicContact CB-CB 4.44Å; M74-N84 HydrophobicContact CG-CB 4.45Å; M74-N84 PolarHBondContact N-O 3.13Å; M74-L86 HydrophobicContact CE-CD1 4.33Å; M74-L86 HydrophobicContact SD-CB 3.94Å; M74-L86 HydrophobicContact SD-CD1 3.57Å; M74-L86 VanDerWaalsContact SD-CD1 3.57Å; M74-L86 HydrophobicContact SD-CG 4.35Å; M74-W89 HydrophobicContact CE-CB 4.35Å; M74-W89 HydrophobicContact CE-CD2 3.71Å; M74-W89 HydrophobicContact CE-CE3 4.31Å; M74-W89 HydrophobicContact CE-CG 3.7Å; M74-W89 HydrophobicContact CE-CZ2 4.37Å; M74-W89 HydrophobicContact CG-CB 3.74Å; M74-W89 HydrophobicContact CG-CG 3.86Å; M74-W89 HydrophobicContact SD-CB 4.04Å; M74-W89 HydrophobicContact SD-CD2 4.48Å; M74-W89 HydrophobicContact SD-CG 4.04Å; M74-L102 HydrophobicContact CE-CD2 4.02Å
75A96.4Very high87.5Confident0 Ų068 Ų680%038%0.384CS..  trans-158.9148.5-175.400000113.1D59 L61 I73D59-A75 WeakPolarHBondContact CB-O 3.34Å; D59-A75 PolarHBondContact O-N 3.15Å; L61-A75 HydrophobicContact CD1-CB 4.43Å; L61-A75 HydrophobicContact CD2-CB 3.93Å; L61-A75 WeakPolarHBondContact CD2-O 3.45Å; L61-A75 HydrophobicContact CG-CB 4.03Å; I73-A75 HydrophobicContact CD1-CB 3.98Å; I73-A75 HydrophobicContact CG1-CB 4.27Å; I73-A75 PolarHBondContact O-N 3.32Å
76H94.4Very high88.8Confident86 Ų8663.2 Ų63.240%0.39836%0.358SS..  trans-116.5130.3173.7-170.8-69.5000110.4D59 E79 K105D59-H76 HydrophobicContact CB-CB 3.97Å; D59-H76 IonicContact OD1-CD2 3.98Å; D59-H76 PolarHBondContact OD1-CD2 3.08Å; D59-H76 VanDerWaalsContact OD1-CD2 3.29Å; D59-H76 WeakPolarHBondContact OD2-CB 3.47Å; D59-H76 IonicContact OD2-CD2 4Å; D59-H76 IonicContact OD2-CG 2.64Å; H76-E79 CarbonylContact C-O 3.54Å; H76-E79 WeakPolarHBondContact O-CB 3.44Å; H76-E79 PolarHBondContact O-N 2.86Å; H76-K105 WeakPolarHBondContact CD2-CE 3.04Å; H76-K105 PolarHBondContact CD2-NZ 3.16Å; H76-K105 PolarHBondContact NE2-NZ 3.23Å
77P91.9Very high90.4Very high59 Ų5963.7 Ų63.738%0.38334%0.339SS..THydrogen-bonded Turntrans-53.1139.8174.8-27.936.4000112.9L61 K105L61-P77 HydrophobicContact CD2-CG 4.18Å; P77-K105 HydrophobicContact CG-CB 4.31Å
78P91.9Very high91.7Very high129 Ų12964.7 Ų64.784%0.83834%0.338SS*.THydrogen-bonded Turncis-82.9-1.614.634.4-37.2000114.8T80P78-T80 PolarHBondContact O-N 2.79Å
79E91.5Very high93.4Very high100 Ų10055.8 Ų55.847%0.46730%0.296SS..  trans-73.1122.5174.6-61.8178.3-17500109.6H41 H76H41-E79 IonicContact CE1-OE2 3.79Å; H41-E79 PolarHBondContact CE1-OE2 3.41Å; H41-E79 IonicContact NE2-OE2 3.8Å; H41-E79 PolarHBondContact NE2-OE2 2.85Å; H76-E79 CarbonylContact C-O 3.54Å; H76-E79 WeakPolarHBondContact O-CB 3.44Å; H76-E79 PolarHBondContact O-N 2.86Å
80T89.8Confident94.8Very high64 Ų6448 Ų4839%0.39326%0.26SS..  trans-115.68.8178.9630000112.7I73 P78I73-T80 WeakPolarHBondContact CD1-O 3.41Å; P78-T80 PolarHBondContact O-N 2.79Å
81N90.3Very high95.5Very high117 Ų11750.3 Ų50.363%0.62627%0.273SS*.  trans-133.7152.6178.9-63.6-30.1000108.5I73I73-N81 VanDerWaalsContact CD1-CA 3.49Å
82S93.8Very high95.8Very high33 Ų3348.8 Ų48.823%0.23127%0.266CS..  trans-151.5154.6176.6-171.80000110.5N40 H41 M74 N84N40-S82 PolarHBondContact O-OG 2.93Å; H41-S82 PolarHBondContact ND1-OG 3.04Å; M74-S82 WeakPolarHBondContact O-CB 3.27Å; M74-S82 PolarHBondContact O-OG 2.92Å; S82-N84 PolarHBondContact O-N 3.47Å; S82-N84 PolarHBondContact OG-N 2.61Å
83D96.2Very high95.8Very high86 Ų8648.7 Ų48.746%0.4627%0.265SS..SBendtrans-78.5-0.5170.975.2-17.4000112.8H41 K42H41-D83 VanDerWaalsContact CA-OD1 3.24Å; H41-D83 WeakPolarHBondContact CA-OD1 3.33Å; H41-D83 WeakPolarHBondContact CB-OD1 3.13Å; H41-D83 IonicContact CG-OD1 3.31Å; H41-D83 IonicContact ND1-OD1 3.01Å; K42-D83 WeakPolarHBondContact CD-O 3.44Å; K42-D83 WeakPolarHBondContact CE-O 3.49Å; K42-D83 PolarHBondContact N-OD1 3.49Å; K42-D83 PolarHBondContact NZ-O 2.95Å
84N97.8Very high95.7Very high0 Ų049.5 Ų49.50%027%0.271CS..  trans-129.8112.8-174.1-153.84000110.9N40 K42 M45 M74 S82 E88 W89N40-N84 WeakPolarHBondContact O-CB 3.44Å; K42-N84 HydrophobicContact CG-CB 3.91Å; M45-N84 PolarHBondContact SD-ND2 2.75Å; M74-N84 HydrophobicContact CB-CB 4.44Å; M74-N84 HydrophobicContact CG-CB 4.45Å; M74-N84 PolarHBondContact N-O 3.13Å; S82-N84 PolarHBondContact O-N 3.47Å; S82-N84 PolarHBondContact OG-N 2.61Å; N84-E88 WeakPolarHBondContact OD1-CB 3.31Å; N84-W89 PolarHBondContact OD1-N 3.19Å
85T97.8Very high95.6Very high32 Ų3256.1 Ų56.120%0.19630%0.3CS..BIsolated β-bridgetrans-74.5157.5168.1620000110.4I73 Q87 E88 W89I73-T85 HydrophobicContact CG2-CG2 4.4Å; T85-Q87 PolarHBondContact O-N 2.86Å; T85-E88 PolarHBondContact N-OE2 2.68Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 WeakPolarHBondContact OG1-CB 3.33Å; T85-E88 VanDerWaalsContact OG1-CG 3.22Å; T85-E88 WeakPolarHBondContact OG1-CG 3.32Å; T85-E88 PolarHBondContact OG1-N 2.96Å; T85-E88 VanDerWaalsContact OG1-N 3.12Å; T85-E88 PolarHBondContact OG1-OE2 2.78Å; T85-W89 WeakPolarHBondContact O-CB 3.2Å; T85-W89 PolarHBondContact O-N 3.04Å
86L98.3Very high95.6Very high0 Ų057.4 Ų57.40%031%0.309CS..Hα-helixtrans-59.1-34.5172.5175.761.4000111.5V60 P72 M74 W89 L90 L102 S113 L116V60-L86 HydrophobicContact CG1-CD2 4.26Å; V60-L86 HydrophobicContact CG2-CD1 4.5Å; P72-L86 HydrophobicContact CB-CB 4.02Å; P72-L86 HydrophobicContact CB-CD2 4.09Å; P72-L86 WeakPolarHBondContact O-CB 3.4Å; P72-L86 PolarHBondContact O-N 2.97Å; M74-L86 HydrophobicContact CE-CD1 4.33Å; M74-L86 HydrophobicContact SD-CB 3.94Å; M74-L86 HydrophobicContact SD-CD1 3.57Å; M74-L86 VanDerWaalsContact SD-CD1 3.57Å; M74-L86 HydrophobicContact SD-CG 4.35Å; L86-W89 PolarHBondContact O-N 3.37Å; L86-L90 HydrophobicContact CD1-CD1 3.96Å; L86-L90 HydrophobicContact CD1-CD2 4.38Å; L86-L90 HydrophobicContact CD1-CG 3.83Å; L86-L90 HydrophobicContact CD2-CD1 4.49Å; L86-L90 HydrophobicContact CG-CD1 3.87Å; L86-L90 HydrophobicContact CG-CG 4.21Å; L86-L90 WeakPolarHBondContact O-CB 3.24Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.13Å; L86-L102 HydrophobicContact CD1-CD1 4.21Å; L86-L102 HydrophobicContact CD1-CD2 4.15Å; L86-S113 WeakPolarHBondContact CD2-OG 3.18Å; L86-L116 HydrophobicContact CB-CD1 4.24Å; L86-L116 HydrophobicContact CD2-CD1 4.13Å; L86-L116 HydrophobicContact CG-CD1 4.23Å
87Q97.9Very high95.5Very high91 Ų9157.1 Ų57.143%0.42531%0.31SS..Hα-helixtrans-65.6-46178.6-175.1170.814.400112.1T85 W89 T91 L116T85-Q87 PolarHBondContact O-N 2.86Å; Q87-W89 VanDerWaalsContact C-N 3.33Å; Q87-T91 WeakPolarHBondContact O-CB 3.34Å; Q87-T91 PolarHBondContact O-N 2.78Å; Q87-T91 PolarHBondContact O-OG1 2.79Å; Q87-L116 HydrophobicContact CB-CD1 4.3Å; Q87-L116 HydrophobicContact CB-CD2 4.16Å; Q87-L116 HydrophobicContact CG-CD2 4.28Å
88E98.3Very high95.8Very high77 Ų7755 Ų5536%0.3630%0.295SS..Hα-helixtrans-63.4-42.2174.4-71.6168.2124.800110.9K42 N84 T85 T91 E92K42-E88 WeakPolarHBondContact CE-OE1 3.12Å; K42-E88 VanDerWaalsContact NZ-CD 3.34Å; K42-E88 IonicContact NZ-OE1 3.45Å; K42-E88 PolarHBondContact NZ-OE1 3.28Å; K42-E88 IonicContact NZ-OE2 2.76Å; K42-E88 PolarHBondContact NZ-OE2 3.02Å; N84-E88 WeakPolarHBondContact OD1-CB 3.31Å; T85-E88 PolarHBondContact N-OE2 2.68Å; T85-E88 PolarHBondContact O-N 3.06Å; T85-E88 WeakPolarHBondContact OG1-CB 3.33Å; T85-E88 VanDerWaalsContact OG1-CG 3.22Å; T85-E88 WeakPolarHBondContact OG1-CG 3.32Å; T85-E88 PolarHBondContact OG1-N 2.96Å; T85-E88 VanDerWaalsContact OG1-N 3.12Å; T85-E88 PolarHBondContact OG1-OE2 2.78Å; E88-T91 WeakPolarHBondContact O-CB 3.18Å; E88-T91 PolarHBondContact O-N 3.48Å; E88-E92 PolarHBondContact O-N 3.29Å; E88-E92 VanDerWaalsContact O-N 3.16Å
89W98.6Very high96Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-60.1-49.6178-168.8104.8000112.1A39 M45 I56 A58 M74 N84 T85 L86 Q87 T91 E92 V93 I100 L102A39-W89 PolarHBondContact O-NE1 2.78Å; M45-W89 HydrophobicContact CG-CG 4.47Å; M45-W89 VanDerWaalsContact SD-CA 3.58Å; M45-W89 HydrophobicContact SD-CB 4.06Å; M45-W89 VanDerWaalsContact SD-CD1 3.51Å; M45-W89 HydrophobicContact SD-CD2 4.45Å; M45-W89 HydrophobicContact SD-CG 3.73Å; I56-W89 HydrophobicContact CB-CZ2 4.26Å; I56-W89 HydrophobicContact CG2-CH2 4.46Å; I56-W89 HydrophobicContact CG2-CZ2 3.7Å; A58-W89 HydrophobicContact CB-CZ2 4Å; M74-W89 HydrophobicContact CE-CB 4.35Å; M74-W89 HydrophobicContact CE-CD2 3.71Å; M74-W89 HydrophobicContact CE-CE3 4.31Å; M74-W89 HydrophobicContact CE-CG 3.7Å; M74-W89 HydrophobicContact CE-CZ2 4.37Å; M74-W89 HydrophobicContact CG-CB 3.74Å; M74-W89 HydrophobicContact CG-CG 3.86Å; M74-W89 HydrophobicContact SD-CB 4.04Å; M74-W89 HydrophobicContact SD-CD2 4.48Å; M74-W89 HydrophobicContact SD-CG 4.04Å; N84-W89 PolarHBondContact OD1-N 3.19Å; T85-W89 WeakPolarHBondContact O-CB 3.2Å; T85-W89 PolarHBondContact O-N 3.04Å; L86-W89 PolarHBondContact O-N 3.37Å; Q87-W89 VanDerWaalsContact C-N 3.33Å; W89-T91 VanDerWaalsContact C-N 3.28Å; W89-T91 PolarHBondContact O-N 3.4Å; W89-E92 PolarHBondContact O-N 3.15Å; W89-V93 HydrophobicContact CD2-CG2 3.67Å; W89-V93 HydrophobicContact CE3-CB 4.01Å; W89-V93 HydrophobicContact CE3-CG2 3.66Å; W89-V93 HydrophobicContact CG-CG2 4.47Å; W89-V93 HydrophobicContact CH2-CB 4.16Å; W89-V93 HydrophobicContact CH2-CG1 3.95Å; W89-V93 HydrophobicContact CH2-CG2 3.72Å; W89-V93 HydrophobicContact CZ2-CG2 3.74Å; W89-V93 HydrophobicContact CZ3-CB 3.81Å; W89-V93 HydrophobicContact CZ3-CG1 3.89Å; W89-V93 HydrophobicContact CZ3-CG2 3.68Å; W89-V93 WeakPolarHBondContact O-CB 3.48Å; W89-V93 WeakPolarHBondContact O-CG2 3.48Å; W89-V93 PolarHBondContact O-N 2.89Å; W89-I100 HydrophobicContact CH2-CB 3.92Å; W89-I100 HydrophobicContact CH2-CG2 3.63Å; W89-I100 HydrophobicContact CZ3-CB 4.25Å; W89-I100 HydrophobicContact CZ3-CD1 4.23Å; W89-I100 HydrophobicContact CZ3-CG2 3.89Å; W89-L102 HydrophobicContact CH2-CD2 4.24Å; W89-L102 HydrophobicContact CZ3-CD2 4.07Å
90L98.5Very high96.4Very high3 Ų344.1 Ų44.12%0.01623%0.233CC..Hα-helixtrans-62-36.7176.4-71.9172000111.8L86 E92 T94 I100 L116 L117 V120L86-L90 HydrophobicContact CD1-CD1 3.96Å; L86-L90 HydrophobicContact CD1-CD2 4.38Å; L86-L90 HydrophobicContact CD1-CG 3.83Å; L86-L90 HydrophobicContact CD2-CD1 4.49Å; L86-L90 HydrophobicContact CG-CD1 3.87Å; L86-L90 HydrophobicContact CG-CG 4.21Å; L86-L90 WeakPolarHBondContact O-CB 3.24Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.49Å; L86-L90 PolarHBondContact O-N 3.13Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 2.91Å; L90-T94 VanDerWaalsContact O-CB 3.31Å; L90-T94 WeakPolarHBondContact O-CB 3.12Å; L90-T94 WeakPolarHBondContact O-CG2 3.45Å; L90-T94 PolarHBondContact O-N 2.99Å; L90-T94 PolarHBondContact O-OG1 2.82Å; L90-I100 HydrophobicContact CD2-CD1 4.19Å; L90-L116 HydrophobicContact CD1-CB 4.16Å; L90-L117 HydrophobicContact CD1-CD2 4.15Å; L90-L117 HydrophobicContact CD1-CG 4.36Å; L90-L117 HydrophobicContact CD2-CD2 3.85Å; L90-V120 HydrophobicContact CB-CG1 4.47Å; L90-V120 HydrophobicContact CB-CG2 4.49Å; L90-V120 HydrophobicContact CD1-CG2 4.19Å; L90-V120 HydrophobicContact CD2-CG2 4.33Å
91T98Very high96.8Very high66 Ų6641.4 Ų41.441%0.40522%0.216SC..Hα-helixtrans-60.4-40.7178.1-62.20000111.7Q87 E88 W89 T94 K95Q87-T91 WeakPolarHBondContact O-CB 3.34Å; Q87-T91 PolarHBondContact O-N 2.78Å; Q87-T91 PolarHBondContact O-OG1 2.79Å; E88-T91 WeakPolarHBondContact O-CB 3.18Å; E88-T91 PolarHBondContact O-N 3.48Å; W89-T91 VanDerWaalsContact C-N 3.28Å; W89-T91 PolarHBondContact O-N 3.4Å; T91-T94 PolarHBondContact O-OG1 2.68Å; T91-T94 VanDerWaalsContact O-OG1 3.11Å; T91-K95 VanDerWaalsContact O-CE 3.26Å; T91-K95 WeakPolarHBondContact O-CE 3.34Å
92E98.1Very high97.2Very high65 Ų6535.8 Ų35.830%0.30419%0.186SC..Hα-helixtrans-80.1-43.7177.6-63.9-51131.700112.5M45 L49 E88 W89 L90 T94 K95M45-E92 HydrophobicContact CE-CB 3.67Å; M45-E92 HydrophobicContact CE-CG 3.61Å; M45-E92 HydrophobicContact SD-CB 3.88Å; M45-E92 HydrophobicContact SD-CG 4.4Å; L49-E92 HydrophobicContact CD1-CB 4.07Å; E88-E92 PolarHBondContact O-N 3.29Å; E88-E92 VanDerWaalsContact O-N 3.16Å; W89-E92 PolarHBondContact O-N 3.15Å; L90-E92 VanDerWaalsContact C-N 3.31Å; L90-E92 PolarHBondContact O-N 2.91Å; E92-T94 VanDerWaalsContact C-N 3.31Å; E92-T94 PolarHBondContact O-N 3.02Å; E92-K95 WeakPolarHBondContact O-CB 3.47Å; E92-K95 PolarHBondContact O-N 3.45Å; E92-K95 IonicContact OE1-NZ 3.43Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.24Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å
93V96.6Very high97.5Very high1 Ų135 Ų351%0.00618%0.179CC..Hα-helixtrans-67.5-32.1-175.2175.80000112.7M45 L49 W89 K95 S96 I100 R126M45-V93 HydrophobicContact CG-CG2 4.2Å; M45-V93 HydrophobicContact SD-CG2 4.32Å; L49-V93 HydrophobicContact CD2-CG2 4.14Å; W89-V93 HydrophobicContact CD2-CG2 3.67Å; W89-V93 HydrophobicContact CE3-CB 4.01Å; W89-V93 HydrophobicContact CE3-CG2 3.66Å; W89-V93 HydrophobicContact CG-CG2 4.47Å; W89-V93 HydrophobicContact CH2-CB 4.16Å; W89-V93 HydrophobicContact CH2-CG1 3.95Å; W89-V93 HydrophobicContact CH2-CG2 3.72Å; W89-V93 HydrophobicContact CZ2-CG2 3.74Å; W89-V93 HydrophobicContact CZ3-CB 3.81Å; W89-V93 HydrophobicContact CZ3-CG1 3.89Å; W89-V93 HydrophobicContact CZ3-CG2 3.68Å; W89-V93 WeakPolarHBondContact O-CB 3.48Å; W89-V93 WeakPolarHBondContact O-CG2 3.48Å; W89-V93 PolarHBondContact O-N 2.89Å; V93-K95 PolarHBondContact O-N 3.03Å; V93-S96 PolarHBondContact O-N 2.74Å; V93-S96 PolarHBondContact O-OG 3.3Å; V93-I100 HydrophobicContact CG1-CG2 3.4Å; V93-R126 PolarHBondContact O-NH1 2.89Å; V93-R126 VanDerWaalsContact O-NH1 3.11Å
94T96.5Very high97.6Very high31 Ų3131 Ų3119%0.1916%0.158CC..THydrogen-bonded Turntrans-61.6-21.5173.951.90000113.4L90 T91 E92 S96 V120 L124 R126L90-T94 VanDerWaalsContact O-CB 3.31Å; L90-T94 WeakPolarHBondContact O-CB 3.12Å; L90-T94 WeakPolarHBondContact O-CG2 3.45Å; L90-T94 PolarHBondContact O-N 2.99Å; L90-T94 PolarHBondContact O-OG1 2.82Å; T91-T94 PolarHBondContact O-OG1 2.68Å; T91-T94 VanDerWaalsContact O-OG1 3.11Å; E92-T94 VanDerWaalsContact C-N 3.31Å; E92-T94 PolarHBondContact O-N 3.02Å; T94-S96 VanDerWaalsContact C-N 3.28Å; T94-S96 PolarHBondContact O-N 3.44Å; T94-V120 HydrophobicContact CG2-CB 3.94Å; T94-V120 HydrophobicContact CG2-CG1 4.29Å; T94-V120 HydrophobicContact CG2-CG2 4.34Å; T94-L124 HydrophobicContact CG2-CD1 4.14Å; T94-R126 PolarHBondContact O-NH2 2.89Å
95K96Very high97.5Very high139 Ų13933.5 Ų33.560%0.60417%0.169SC*.THydrogen-bonded Turntrans-78-12175.7-55.8172.6-169.1165.50113.4T91 E92 V93T91-K95 VanDerWaalsContact O-CE 3.26Å; T91-K95 WeakPolarHBondContact O-CE 3.34Å; E92-K95 WeakPolarHBondContact O-CB 3.47Å; E92-K95 PolarHBondContact O-N 3.45Å; E92-K95 IonicContact OE1-NZ 3.43Å; E92-K95 PolarHBondContact OE1-NZ 3.33Å; E92-K95 IonicContact OE2-NZ 3.24Å; E92-K95 PolarHBondContact OE2-NZ 3.37Å; V93-K95 PolarHBondContact O-N 3.03Å
96S94.9Very high97.4Very high27 Ų2733.4 Ų33.419%0.18917%0.169CC..SBendtrans-96.5-175.9178.376.10000112.4V93 T94 K98 R126V93-S96 PolarHBondContact O-N 2.74Å; V93-S96 PolarHBondContact O-OG 3.3Å; T94-S96 VanDerWaalsContact C-N 3.28Å; T94-S96 PolarHBondContact O-N 3.44Å; S96-K98 WeakPolarHBondContact OG-CG 3.27Å; S96-K98 PolarHBondContact OG-N 3.49Å; S96-R126 PolarHBondContact O-NH1 3.11Å; S96-R126 PolarHBondContact O-NH2 3.24Å; S96-R126 PolarHBondContact OG-NH1 3.31Å
97N92.9Very high97.3Very high80 Ų8036.6 Ų36.643%0.42819%0.186SC..  trans-1078.5168.866-16.1000113.4Q24Q24-N97 PolarHBondContact NE2-ND2 2.82Å
98K97.1Very high97.2Very high15 Ų1535.3 Ų35.37%0.06519%0.19CC..  trans-71.5134.4-176.9-52.7-66.9-171.4-169.50110.6S51 A53 H54 I56 S96 R126S51-K98 PolarHBondContact O-NZ 3.13Å; A53-K98 WeakPolarHBondContact O-CD 3.38Å; A53-K98 VanDerWaalsContact O-CE 3.27Å; A53-K98 WeakPolarHBondContact O-CE 3.48Å; A53-K98 PolarHBondContact O-NZ 3.18Å; H54-K98 WeakPolarHBondContact O-CA 3.43Å; I56-K98 HydrophobicContact CD1-CB 3.85Å; I56-K98 HydrophobicContact CD1-CG 3.77Å; I56-K98 HydrophobicContact CG1-CB 3.97Å; I56-K98 HydrophobicContact CG1-CG 4.17Å; S96-K98 WeakPolarHBondContact OG-CG 3.27Å; S96-K98 PolarHBondContact OG-N 3.49Å; K98-R126 WeakPolarHBondContact O-CD 3.37Å; K98-R126 PolarHBondContact O-NH1 3.36Å
99G98.1Very high97.1Very high0 Ų031.6 Ų31.60%017%0.173CC..EExtended strand (participates in β ladder)trans-70.9163.1165.900000110.3H54 M55 I56 P127H54-G99 PolarHBondContact O-N 3.32Å; M55-G99 WeakPolarHBondContact CA-O 3.48Å; M55-G99 VanDerWaalsContact SD-C 3.55Å; M55-G99 WeakPolarHBondContact SD-CA 3.37Å; I56-G99 PolarHBondContact N-O 2.99Å; G99-P127 WeakPolarHBondContact CA-O 3.25Å
100I98.5Very high97.1Very high0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-127.7145.9-174.969.5171.5000112M55 I56 W89 L90 V93 L102 L117 L124 P127 V128 W129M55-I100 WeakPolarHBondContact CE-O 3.49Å; I56-I100 CarbonylContact O-C 3.42Å; I56-I100 WeakPolarHBondContact O-CA 3.41Å; W89-I100 HydrophobicContact CH2-CB 3.92Å; W89-I100 HydrophobicContact CH2-CG2 3.63Å; W89-I100 HydrophobicContact CZ3-CB 4.25Å; W89-I100 HydrophobicContact CZ3-CD1 4.23Å; W89-I100 HydrophobicContact CZ3-CG2 3.89Å; L90-I100 HydrophobicContact CD2-CD1 4.19Å; V93-I100 HydrophobicContact CG1-CG2 3.4Å; I100-L102 HydrophobicContact CD1-CD1 4.37Å; I100-L102 HydrophobicContact CD1-CG 4.37Å; I100-L117 HydrophobicContact CD1-CD2 4.42Å; I100-L124 HydrophobicContact CD1-CD2 3.72Å; I100-L124 HydrophobicContact CG1-CD2 4.42Å; I100-P127 PolarHBondContact N-O 3.31Å; I100-V128 HydrophobicContact CD1-CG1 4.03Å; I100-V128 HydrophobicContact CD1-CG2 4.27Å; I100-V128 HydrophobicContact CG1-CB 4.2Å; I100-V128 HydrophobicContact CG1-CG1 3.87Å; I100-V128 HydrophobicContact CG1-CG2 3.95Å; I100-V128 WeakPolarHBondContact O-CA 3.23Å; I100-W129 PolarHBondContact O-N 2.73Å
101K98.8Very high97Very high6 Ų637 Ų373%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-126.3120.7167.7179.4-178.8169.1-174.70108.3W35 I56 E57 A58 W129 N131 S164W35-K101 HydrophobicContact CZ3-CB 4.26Å; W35-K101 HydrophobicContact CZ3-CD 4.03Å; I56-K101 PolarHBondContact O-N 3.44Å; E57-K101 VanDerWaalsContact CA-O 3.29Å; E57-K101 WeakPolarHBondContact CA-O 3.28Å; E57-K101 HydrophobicContact CB-CB 4.13Å; E57-K101 HydrophobicContact CB-CD 4.39Å; E57-K101 HydrophobicContact CG-CB 4.1Å; E57-K101 HydrophobicContact CG-CD 3.8Å; E57-K101 HydrophobicContact CG-CG 3.99Å; A58-K101 PolarHBondContact N-O 2.88Å; K101-W129 CarbonylContact C-O 3.57Å; K101-W129 VanDerWaalsContact CA-O 3.29Å; K101-W129 WeakPolarHBondContact CA-O 3.46Å; K101-W129 HydrophobicContact CB-CB 3.99Å; K101-W129 HydrophobicContact CD-CE3 4.31Å; K101-W129 HydrophobicContact CG-CB 3.96Å; K101-N131 VanDerWaalsContact CE-CG 3.47Å; K101-N131 WeakPolarHBondContact CE-OD1 3.46Å; K101-N131 HydrophobicContact CG-CB 4.16Å; K101-N131 PolarHBondContact NZ-OD1 3.29Å; K101-S164 WeakPolarHBondContact CE-OG 3.42Å
102L98.9Very high97Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-106.1114.6178.5-63.3178.3000109.5A58 V60 M74 L86 W89 I100 F104 L117 W129 I130 N131A58-L102 WeakPolarHBondContact O-CA 3.07Å; V60-L102 HydrophobicContact CG2-CB 4.1Å; V60-L102 HydrophobicContact CG2-CD2 4.09Å; M74-L102 HydrophobicContact CE-CD2 4.02Å; L86-L102 HydrophobicContact CD1-CD1 4.21Å; L86-L102 HydrophobicContact CD1-CD2 4.15Å; W89-L102 HydrophobicContact CH2-CD2 4.24Å; W89-L102 HydrophobicContact CZ3-CD2 4.07Å; I100-L102 HydrophobicContact CD1-CD1 4.37Å; I100-L102 HydrophobicContact CD1-CG 4.37Å; L102-F104 HydrophobicContact CB-CE2 3.98Å; L102-L117 HydrophobicContact CD1-CD1 3.96Å; L102-L117 HydrophobicContact CD1-CD2 4.09Å; L102-L117 HydrophobicContact CD1-CG 4.35Å; L102-W129 PolarHBondContact N-O 2.88Å; L102-I130 HydrophobicContact CB-CD1 4.3Å; L102-I130 HydrophobicContact CD1-CD1 4.32Å; L102-N131 WeakPolarHBondContact O-CB 3.42Å; L102-N131 PolarHBondContact O-N 3.19Å
103D98.8Very high97Very high17 Ų1732.9 Ų32.99%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-96.799.4-177.6-171.1-7.1000112.2E57 A58 D59 V60 K105 N131E57-D103 WeakPolarHBondContact OE1-CB 3.1Å; A58-D103 PolarHBondContact O-N 2.7Å; D59-D103 CarbonylContact C-O 3.56Å; D59-D103 VanDerWaalsContact CA-O 3.27Å; D59-D103 WeakPolarHBondContact CA-O 3.2Å; V60-D103 PolarHBondContact N-O 3.24Å; D103-K105 VanDerWaalsContact CG-CE 3.44Å; D103-K105 PolarHBondContact O-N 3.03Å; D103-K105 IonicContact OD1-NZ 3.87Å; D103-K105 PolarHBondContact OD1-NZ 2.94Å; D103-K105 IonicContact OD2-NZ 2.7Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å; D103-N131 HydrophobicContact CB-CB 4.14Å; D103-N131 PolarHBondContact OD1-ND2 2.73Å; D103-N131 PolarHBondContact OD2-ND2 2.98Å
104F98.6Very high97.1Very high2 Ų232.8 Ų32.81%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-73125-178.8-73-93.5000111.1V60 L102 A109 V110 S113 M114 I130 N131 I145 F150V60-F104 HydrophobicContact CB-CD1 4.12Å; V60-F104 HydrophobicContact CB-CE1 4.12Å; V60-F104 HydrophobicContact CG1-CD1 4.17Å; V60-F104 HydrophobicContact CG1-CE1 3.85Å; V60-F104 HydrophobicContact CG1-CZ 4.44Å; V60-F104 WeakPolarHBondContact O-CA 3.46Å; L102-F104 HydrophobicContact CB-CE2 3.98Å; F104-A109 HydrophobicContact CD1-CB 4.13Å; F104-A109 HydrophobicContact CE1-CB 4.29Å; F104-V110 HydrophobicContact CB-CG2 4.41Å; F104-V110 HydrophobicContact CD1-CB 4.36Å; F104-V110 HydrophobicContact CD1-CG2 3.65Å; F104-V110 HydrophobicContact CE1-CB 4.39Å; F104-V110 HydrophobicContact CE1-CG2 4.17Å; F104-V110 HydrophobicContact CG-CG2 4.08Å; F104-S113 VanDerWaalsContact CE1-CB 3.48Å; F104-S113 WeakPolarHBondContact CE1-OG 3.1Å; F104-M114 HydrophobicContact CE1-CE 4.32Å; F104-M114 HydrophobicContact CE2-CE 3.86Å; F104-M114 HydrophobicContact CZ-CE 3.44Å; F104-M114 VanDerWaalsContact CZ-CE 3.44Å; F104-I130 HydrophobicContact CD2-CG2 4.07Å; F104-I130 HydrophobicContact CE2-CD1 4.28Å; F104-I130 HydrophobicContact CE2-CG2 3.86Å; F104-N131 PolarHBondContact N-O 3.17Å; F104-I145 HydrophobicContact CB-CD1 3.8Å; F104-I145 WeakPolarHBondContact O-CD1 3.41Å; F104-F150 HydrophobicContact CB-CE2 4.08Å; F104-F150 HydrophobicContact CD2-CE2 4.08Å; F104-F150 HydrophobicContact CG-CE2 4.15Å
105K97.2Very high97.2Very high52 Ų5236.4 Ų36.423%0.22619%0.194CC..SBendtrans-103.4-3.5173.7-50.5-58.5176176.50113.2D59 V60 L61 H76 P77 D103D59-K105 HydrophobicContact CB-CG 4.25Å; D59-K105 WeakPolarHBondContact OD1-CE 3.25Å; D59-K105 IonicContact OD1-NZ 3.99Å; D59-K105 PolarHBondContact OD1-NZ 3.38Å; V60-K105 PolarHBondContact O-N 3.3Å; L61-K105 HydrophobicContact CB-CB 4.28Å; H76-K105 WeakPolarHBondContact CD2-CE 3.04Å; H76-K105 PolarHBondContact CD2-NZ 3.16Å; H76-K105 PolarHBondContact NE2-NZ 3.23Å; P77-K105 HydrophobicContact CG-CB 4.31Å; D103-K105 VanDerWaalsContact CG-CE 3.44Å; D103-K105 PolarHBondContact O-N 3.03Å; D103-K105 IonicContact OD1-NZ 3.87Å; D103-K105 PolarHBondContact OD1-NZ 2.94Å; D103-K105 IonicContact OD2-NZ 2.7Å; D103-K105 PolarHBondContact OD2-NZ 3.23Å
106S94.4Very high97.3Very high29 Ų2931 Ų3120%0.20317%0.171CC..  trans-148.6134.4176.269.60000111.5L61 L62 A108 A109L61-S106 WeakPolarHBondContact CA-OG 3.27Å; L62-S106 PolarHBondContact N-OG 2.93Å; L62-S106 VanDerWaalsContact N-OG 3.14Å; S106-A108 PolarHBondContact O-N 3.23Å; S106-A109 PolarHBondContact O-N 2.82Å; S106-A109 WeakPolarHBondContact OG-CB 3.5Å
107L96.4Very high97.4Very high68 Ų6829.7 Ų29.736%0.35616%0.162SC..G310 helixtrans-60.3-34.2174.8-175.764.5000111.8A109 V110 I145 D146 P149 F150L107-A109 PolarHBondContact O-N 3.2Å; L107-V110 HydrophobicContact CD1-CG2 4.19Å; L107-V110 WeakPolarHBondContact O-CB 3.23Å; L107-V110 WeakPolarHBondContact O-CG2 3.31Å; L107-V110 PolarHBondContact O-N 3.13Å; L107-I145 HydrophobicContact CB-CG2 4.34Å; L107-I145 HydrophobicContact CD1-CG2 4.06Å; L107-D146 HydrophobicContact CD2-CB 4.39Å; L107-P149 HydrophobicContact CD1-CB 4.22Å; L107-P149 HydrophobicContact CD1-CG 4.15Å; L107-P149 HydrophobicContact CD2-CB 4.12Å; L107-P149 HydrophobicContact CD2-CG 3.67Å; L107-F150 HydrophobicContact CD1-CB 4.06Å
108A95.3Very high97.6Very high63 Ų6330 Ų3052%0.52116%0.161SC..G310 helixtrans-62.3-23.7179.800000113.7L62 S106 P112L62-A108 HydrophobicContact CB-CB 4.23Å; L62-A108 HydrophobicContact CD2-CB 3.84Å; S106-A108 PolarHBondContact O-N 3.23Å; A108-P112 WeakPolarHBondContact O-CD 3.23Å
109A96.8Very high97.6Very high0 Ų035 Ų350%019%0.189CC..G310 helixtrans-80.8-19.9176.500000113.3V60 L62 P72 F104 S106 L107 P112 S113V60-A109 HydrophobicContact CG1-CB 4.13Å; L62-A109 HydrophobicContact CB-CB 4.17Å; P72-A109 HydrophobicContact CB-CB 4.48Å; F104-A109 HydrophobicContact CD1-CB 4.13Å; F104-A109 HydrophobicContact CE1-CB 4.29Å; S106-A109 PolarHBondContact O-N 2.82Å; S106-A109 WeakPolarHBondContact OG-CB 3.5Å; L107-A109 PolarHBondContact O-N 3.2Å; A109-P112 WeakPolarHBondContact O-CD 3.5Å; A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.43Å; A109-S113 PolarHBondContact O-OG 2.8Å
110V98.1Very high97.5Very high1 Ų136.1 Ų36.11%0.00620%0.195CC..Hα-helixtrans-62.5-57.3-165.5179.30000111.6F104 L107 S113 M114 F150 T153 V154F104-V110 HydrophobicContact CB-CG2 4.41Å; F104-V110 HydrophobicContact CD1-CB 4.36Å; F104-V110 HydrophobicContact CD1-CG2 3.65Å; F104-V110 HydrophobicContact CE1-CB 4.39Å; F104-V110 HydrophobicContact CE1-CG2 4.17Å; F104-V110 HydrophobicContact CG-CG2 4.08Å; L107-V110 HydrophobicContact CD1-CG2 4.19Å; L107-V110 WeakPolarHBondContact O-CB 3.23Å; L107-V110 WeakPolarHBondContact O-CG2 3.31Å; L107-V110 PolarHBondContact O-N 3.13Å; V110-S113 PolarHBondContact O-N 3.1Å; V110-M114 HydrophobicContact CG1-CE 4.34Å; V110-M114 HydrophobicContact CG1-CG 4.47Å; V110-M114 VanDerWaalsContact O-CG 3.31Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.74Å; V110-F150 HydrophobicContact CG1-CD2 4.17Å; V110-F150 HydrophobicContact CG1-CE2 4.5Å; V110-F150 HydrophobicContact CG2-CD2 3.69Å; V110-F150 HydrophobicContact CG2-CE2 4.08Å; V110-T153 HydrophobicContact CG1-CG2 3.85Å; V110-V154 HydrophobicContact CG1-CG2 3.9Å
111E97.7Very high97.3Very high115 Ų11538.3 Ų38.354%0.53721%0.205SC..Hα-helixtrans-62.4-49.4-178.5176.7174.5-156.500112.7S113 M114 M115 T153 F157E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.39Å; E111-M114 PolarHBondContact O-N 3.4Å; E111-M114 VanDerWaalsContact O-N 3.08Å; E111-M115 WeakPolarHBondContact O-CG 3.35Å; E111-M115 PolarHBondContact O-N 3.24Å; E111-T153 HydrophobicContact CB-CG2 3.95Å; E111-F157 HydrophobicContact CG-CE2 4.47Å
112P97.2Very high97Very high44 Ų4448.3 Ų48.329%0.28624%0.242SC..Hα-helixtrans-57-37.9174.6-26.234.5000113.4P72 A108 A109 M115 L116P72-P112 HydrophobicContact CG-CB 3.66Å; A108-P112 WeakPolarHBondContact O-CD 3.23Å; A109-P112 WeakPolarHBondContact O-CD 3.5Å; P112-M115 PolarHBondContact O-N 2.78Å; P112-L116 WeakPolarHBondContact O-CG 3.34Å; P112-L116 PolarHBondContact O-N 2.94Å
113S98.4Very high96.7Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-67.4-39.1175.3-67.90000112.8V60 P72 L86 F104 A109 V110 E111 M115 L116 L117V60-S113 WeakPolarHBondContact CG1-OG 3.35Å; P72-S113 WeakPolarHBondContact CB-OG 3.46Å; P72-S113 WeakPolarHBondContact CG-OG 3.41Å; L86-S113 WeakPolarHBondContact CD2-OG 3.18Å; F104-S113 VanDerWaalsContact CE1-CB 3.48Å; F104-S113 WeakPolarHBondContact CE1-OG 3.1Å; A109-S113 WeakPolarHBondContact O-CB 3.41Å; A109-S113 PolarHBondContact O-N 3.43Å; A109-S113 PolarHBondContact O-OG 2.8Å; V110-S113 PolarHBondContact O-N 3.1Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.39Å; S113-M115 VanDerWaalsContact C-N 3.3Å; S113-M115 PolarHBondContact O-N 2.86Å; S113-L116 PolarHBondContact O-N 2.83Å; S113-L117 WeakPolarHBondContact O-CB 3.45Å; S113-L117 WeakPolarHBondContact O-CG 3.18Å; S113-L117 PolarHBondContact O-N 3.42Å
114M98.3Very high96.4Very high0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-62.7-39175.9-65.8-47.1107.200111.5F104 V110 E111 L116 L117 E118 I130 T153 V154 F157 F158F104-M114 HydrophobicContact CE1-CE 4.32Å; F104-M114 HydrophobicContact CE2-CE 3.86Å; F104-M114 HydrophobicContact CZ-CE 3.44Å; F104-M114 VanDerWaalsContact CZ-CE 3.44Å; V110-M114 HydrophobicContact CG1-CE 4.34Å; V110-M114 HydrophobicContact CG1-CG 4.47Å; V110-M114 VanDerWaalsContact O-CG 3.31Å; V110-M114 WeakPolarHBondContact O-CG 3.35Å; V110-M114 PolarHBondContact O-N 2.74Å; E111-M114 PolarHBondContact O-N 3.4Å; E111-M114 VanDerWaalsContact O-N 3.08Å; M114-L116 PolarHBondContact O-N 3.14Å; M114-L117 HydrophobicContact CE-CD1 3.85Å; M114-L117 WeakPolarHBondContact O-CB 3.29Å; M114-L117 PolarHBondContact O-N 3.29Å; M114-L117 HydrophobicContact SD-CD1 4.08Å; M114-E118 PolarHBondContact O-N 3.01Å; M114-I130 HydrophobicContact CE-CD1 4.29Å; M114-T153 HydrophobicContact CG-CG2 4.25Å; M114-V154 HydrophobicContact CE-CG2 4.17Å; M114-V154 HydrophobicContact SD-CB 4.45Å; M114-V154 HydrophobicContact SD-CG1 4.36Å; M114-V154 HydrophobicContact SD-CG2 4.04Å; M114-F157 HydrophobicContact CB-CB 4.02Å; M114-F157 HydrophobicContact CB-CD1 3.92Å; M114-F157 HydrophobicContact CB-CD2 3.52Å; M114-F157 HydrophobicContact CB-CE1 4.23Å; M114-F157 HydrophobicContact CB-CE2 3.87Å; M114-F157 HydrophobicContact CB-CG 3.56Å; M114-F157 HydrophobicContact CB-CZ 4.22Å; M114-F157 HydrophobicContact CG-CB 4.31Å; M114-F157 HydrophobicContact CG-CD2 3.94Å; M114-F157 HydrophobicContact CG-CG 4.2Å; M114-F158 HydrophobicContact CB-CE2 3.99Å; M114-F158 HydrophobicContact CG-CE2 4.27Å; M114-F158 HydrophobicContact SD-CD2 3.59Å; M114-F158 VanDerWaalsContact SD-CD2 3.59Å; M114-F158 HydrophobicContact SD-CE2 3.58Å; M114-F158 VanDerWaalsContact SD-CE2 3.58Å
115M97.8Very high96.2Very high107 Ų10759.6 Ų59.653%0.52729%0.292SS..Hα-helixtrans-62.1-42.1174.5-65.4177.969.700112.3E111 P112 S113 E118 N119 F157E111-M115 WeakPolarHBondContact O-CG 3.35Å; E111-M115 PolarHBondContact O-N 3.24Å; P112-M115 PolarHBondContact O-N 2.78Å; S113-M115 VanDerWaalsContact C-N 3.3Å; S113-M115 PolarHBondContact O-N 2.86Å; M115-E118 PolarHBondContact O-N 3.46Å; M115-N119 PolarHBondContact O-ND2 3.25Å; M115-F157 HydrophobicContact CG-CE1 4.08Å; M115-F157 HydrophobicContact CG-CZ 3.95Å
116L98.1Very high96.1Very high25 Ų2557.7 Ų57.713%0.13128%0.284CS..Hα-helixtrans-65.6-40175.8-69.7174.4000112.1P72 L86 Q87 L90 P112 S113 M114 N119P72-L116 HydrophobicContact CG-CD1 4.43Å; L86-L116 HydrophobicContact CB-CD1 4.24Å; L86-L116 HydrophobicContact CD2-CD1 4.13Å; L86-L116 HydrophobicContact CG-CD1 4.23Å; Q87-L116 HydrophobicContact CB-CD1 4.3Å; Q87-L116 HydrophobicContact CB-CD2 4.16Å; Q87-L116 HydrophobicContact CG-CD2 4.28Å; L90-L116 HydrophobicContact CD1-CB 4.16Å; P112-L116 WeakPolarHBondContact O-CG 3.34Å; P112-L116 PolarHBondContact O-N 2.94Å; S113-L116 PolarHBondContact O-N 2.83Å; M114-L116 PolarHBondContact O-N 3.14Å; L116-N119 WeakPolarHBondContact O-CB 3.22Å; L116-N119 PolarHBondContact O-N 2.95Å
117L98.1Very high96.2Very high0 Ų056.3 Ų56.30%027%0.274CS..Hα-helixtrans-62.9-39176.5-84.4171.2000112.4W11 L90 I100 L102 S113 M114 N119 V120 K121 L124 I130 F158W11-L117 HydrophobicContact CH2-CB 3.93Å; W11-L117 HydrophobicContact CH2-CD2 4.04Å; W11-L117 HydrophobicContact CH2-CG 4.45Å; W11-L117 HydrophobicContact CZ3-CB 4.42Å; L90-L117 HydrophobicContact CD1-CD2 4.15Å; L90-L117 HydrophobicContact CD1-CG 4.36Å; L90-L117 HydrophobicContact CD2-CD2 3.85Å; I100-L117 HydrophobicContact CD1-CD2 4.42Å; L102-L117 HydrophobicContact CD1-CD1 3.96Å; L102-L117 HydrophobicContact CD1-CD2 4.09Å; L102-L117 HydrophobicContact CD1-CG 4.35Å; S113-L117 WeakPolarHBondContact O-CB 3.45Å; S113-L117 WeakPolarHBondContact O-CG 3.18Å; S113-L117 PolarHBondContact O-N 3.42Å; M114-L117 HydrophobicContact CE-CD1 3.85Å; M114-L117 WeakPolarHBondContact O-CB 3.29Å; M114-L117 PolarHBondContact O-N 3.29Å; M114-L117 HydrophobicContact SD-CD1 4.08Å; L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-N 3.2Å; L117-V120 VanDerWaalsContact O-CG2 3.3Å; L117-V120 WeakPolarHBondContact O-CG2 3.35Å; L117-V120 PolarHBondContact O-N 3.34Å; L117-V120 VanDerWaalsContact O-N 3.11Å; L117-K121 PolarHBondContact O-N 2.96Å; L117-L124 HydrophobicContact CD2-CD2 4.46Å; L117-I130 HydrophobicContact CD1-CD1 4.05Å; L117-F158 HydrophobicContact CB-CE2 3.81Å; L117-F158 HydrophobicContact CB-CZ 3.65Å; L117-F158 HydrophobicContact CD1-CE2 4.25Å
118E97.1Very high96.3Very high86 Ų8653 Ų5340%0.40226%0.257SS..Hα-helixtrans-62.1-36.3178.7-170.663.1-157.700111.1M114 M115 V120 K121 F158M114-E118 PolarHBondContact O-N 3.01Å; M115-E118 PolarHBondContact O-N 3.46Å; E118-V120 VanDerWaalsContact C-N 3.25Å; E118-V120 PolarHBondContact O-N 3.2Å; E118-K121 WeakPolarHBondContact O-CB 3.25Å; E118-K121 PolarHBondContact O-N 2.82Å; E118-K121 IonicContact OE1-NZ 3.05Å; E118-K121 WeakPolarHBondContact OE2-CD 3.33Å; E118-K121 IonicContact OE2-NZ 3.56Å; E118-K121 PolarHBondContact OE2-NZ 2.86Å; E118-F158 HydrophobicContact CB-CZ 4.18Å; E118-F158 WeakPolarHBondContact OE2-CE1 3.42Å
119N96.5Very high96.5Very high120 Ų12050.3 Ų50.364%0.64223%0.234SC*.Hα-helixtrans-63.6-29.4177.2-65.3-35000113.1M115 L116 L117M115-N119 PolarHBondContact O-ND2 3.25Å; L116-N119 WeakPolarHBondContact O-CB 3.22Å; L116-N119 PolarHBondContact O-N 2.95Å; L117-N119 VanDerWaalsContact C-N 3.26Å; L117-N119 PolarHBondContact O-N 3.2Å
120V95.8Very high96.6Very high23 Ų2350.3 Ų50.314%0.13923%0.234CC..Hα-helixtrans-103.4-5.3-178.9-60.50000113.7L90 T94 L117 E118 R122 H123 L124L90-V120 HydrophobicContact CB-CG1 4.47Å; L90-V120 HydrophobicContact CB-CG2 4.49Å; L90-V120 HydrophobicContact CD1-CG2 4.19Å; L90-V120 HydrophobicContact CD2-CG2 4.33Å; T94-V120 HydrophobicContact CG2-CB 3.94Å; T94-V120 HydrophobicContact CG2-CG1 4.29Å; T94-V120 HydrophobicContact CG2-CG2 4.34Å; L117-V120 VanDerWaalsContact O-CG2 3.3Å; L117-V120 WeakPolarHBondContact O-CG2 3.35Å; L117-V120 PolarHBondContact O-N 3.34Å; L117-V120 VanDerWaalsContact O-N 3.11Å; E118-V120 VanDerWaalsContact C-N 3.25Å; E118-V120 PolarHBondContact O-N 3.2Å; V120-R122 PolarHBondContact O-N 2.83Å; V120-R122 VanDerWaalsContact O-N 3.07Å; V120-H123 WeakPolarHBondContact O-CA 3.06Å; V120-H123 WeakPolarHBondContact O-CB 3.27Å; V120-H123 PolarHBondContact O-N 3.29Å; V120-L124 PolarHBondContact O-N 2.78Å
121K94.4Very high96.6Very high46 Ų4650.4 Ų50.420%0.223%0.234CC..THydrogen-bonded Turntrans-50.5-38.8-174.4-172.4-175.3-158.4158.60114.9W11 L117 E118 H123 L124 F158W11-K121 HydrophobicContact CH2-CB 4.41Å; W11-K121 HydrophobicContact CH2-CG 4.32Å; W11-K121 HydrophobicContact CZ2-CB 3.94Å; W11-K121 HydrophobicContact CZ2-CG 3.77Å; L117-K121 PolarHBondContact O-N 2.96Å; E118-K121 WeakPolarHBondContact O-CB 3.25Å; E118-K121 PolarHBondContact O-N 2.82Å; E118-K121 IonicContact OE1-NZ 3.05Å; E118-K121 WeakPolarHBondContact OE2-CD 3.33Å; E118-K121 IonicContact OE2-NZ 3.56Å; E118-K121 PolarHBondContact OE2-NZ 2.86Å; K121-H123 VanDerWaalsContact C-N 3.26Å; K121-H123 PolarHBondContact O-N 3.14Å; K121-L124 PolarHBondContact O-N 3.45Å; K121-F158 HydrophobicContact CD-CD1 4.35Å; K121-F158 HydrophobicContact CD-CE1 3.92Å; K121-F158 HydrophobicContact CG-CE1 4.38Å
122R92.4Very high96.7Very high216 Ų21644.9 Ų44.982%0.81521%0.208SC*.THydrogen-bonded Turntrans-66.5-28.2179.2-66.5-177-179.8168.61.2113V120 K125V120-R122 PolarHBondContact O-N 2.83Å; V120-R122 VanDerWaalsContact O-N 3.07Å; R122-K125 WeakPolarHBondContact O-CE 3.36Å
123H93.1Very high96.7Very high133 Ų13344.4 Ų44.462%0.61620%0.203SC*.THydrogen-bonded Turntrans-93.2-10.6-179.9-52.2101.5000112.7V120 K121V120-H123 WeakPolarHBondContact O-CA 3.06Å; V120-H123 WeakPolarHBondContact O-CB 3.27Å; V120-H123 PolarHBondContact O-N 3.29Å; K121-H123 VanDerWaalsContact C-N 3.26Å; K121-H123 PolarHBondContact O-N 3.14Å
124L93.1Very high96.8Very high1 Ų144.7 Ų44.71%0.00521%0.205CC..  trans-105.169.8-176.8-156.468.7000110.2W11 T94 I100 L117 V120 K121 R126 V128W11-L124 HydrophobicContact CH2-CD2 4.49Å; W11-L124 HydrophobicContact CZ2-CB 4.22Å; W11-L124 HydrophobicContact CZ2-CD2 3.77Å; W11-L124 HydrophobicContact CZ2-CG 4.48Å; W11-L124 PolarHBondContact NE1-O 3.46Å; T94-L124 HydrophobicContact CG2-CD1 4.14Å; I100-L124 HydrophobicContact CD1-CD2 3.72Å; I100-L124 HydrophobicContact CG1-CD2 4.42Å; L117-L124 HydrophobicContact CD2-CD2 4.46Å; V120-L124 PolarHBondContact O-N 2.78Å; K121-L124 PolarHBondContact O-N 3.45Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 HydrophobicContact CD1-CG 3.98Å; L124-R126 HydrophobicContact CG-CG 4.08Å; L124-R126 PolarHBondContact O-N 2.82Å; L124-V128 HydrophobicContact CD2-CG2 3.42Å; L124-V128 VanDerWaalsContact CD2-CG2 3.42Å; L124-V128 HydrophobicContact CG-CG2 3.88Å
125K93.9Very high96.8Very high122 Ų12245.1 Ų45.153%0.5321%0.207SC..  trans-92.761.7178.8-61.5-56.8-176.9-172.80112.1R122R122-K125 WeakPolarHBondContact O-CE 3.36Å
126R95.1Very high96.8Very high12 Ų1243.4 Ų43.45%0.04520%0.203CC..SBendtrans-158.8168.4-171.366.3-173.290167.58.5110.3Y18 V93 T94 S96 K98 L124 V128Y18-R126 HydrophobicContact CE1-CB 4.32Å; Y18-R126 HydrophobicContact CE2-CB 3.8Å; Y18-R126 WeakPolarHBondContact OH-CB 3.16Å; V93-R126 PolarHBondContact O-NH1 2.89Å; V93-R126 VanDerWaalsContact O-NH1 3.11Å; T94-R126 PolarHBondContact O-NH2 2.89Å; S96-R126 PolarHBondContact O-NH1 3.11Å; S96-R126 PolarHBondContact O-NH2 3.24Å; S96-R126 PolarHBondContact OG-NH1 3.31Å; K98-R126 WeakPolarHBondContact O-CD 3.37Å; K98-R126 PolarHBondContact O-NH1 3.36Å; L124-R126 VanDerWaalsContact C-N 3.34Å; L124-R126 HydrophobicContact CD1-CG 3.98Å; L124-R126 HydrophobicContact CG-CG 4.08Å; L124-R126 PolarHBondContact O-N 2.82Å; R126-V128 PolarHBondContact O-N 3.05Å
127P97.2Very high96.7Very high0 Ų042.6 Ų42.60%020%0.201CC..  trans-58132176-26.535.6000112.6I15 Y18 G99 I100I15-P127 HydrophobicContact CG1-CG 4.42Å; Y18-P127 HydrophobicContact CD1-CG 3.96Å; Y18-P127 HydrophobicContact CD2-CG 4.3Å; Y18-P127 VanDerWaalsContact CG-CD 3.44Å; Y18-P127 HydrophobicContact CG-CG 3.76Å; G99-P127 WeakPolarHBondContact CA-O 3.25Å; I100-P127 PolarHBondContact N-O 3.31Å
128V98.3Very high96.6Very high0 Ų042.8 Ų42.80%020%0.202CC..EExtended strand (participates in β ladder)trans-128.7120.3174.6178.60000108.2W11 I100 L124 R126 I130 V161 T162W11-V128 HydrophobicContact CB-CB 3.87Å; W11-V128 HydrophobicContact CB-CG2 4.16Å; W11-V128 HydrophobicContact CD2-CB 3.75Å; W11-V128 HydrophobicContact CD2-CG1 4.2Å; W11-V128 HydrophobicContact CD2-CG2 3.58Å; W11-V128 HydrophobicContact CE3-CB 3.92Å; W11-V128 HydrophobicContact CE3-CG1 3.9Å; W11-V128 HydrophobicContact CE3-CG2 4.15Å; W11-V128 HydrophobicContact CG-CB 3.74Å; W11-V128 HydrophobicContact CG-CG2 3.56Å; W11-V128 HydrophobicContact CZ2-CG2 4.33Å; W11-V128 HydrophobicContact CZ3-CG1 4.21Å; W11-V128 PolarHBondContact O-N 3.2Å; W11-V128 VanDerWaalsContact O-N 3.14Å; I100-V128 HydrophobicContact CD1-CG1 4.03Å; I100-V128 HydrophobicContact CD1-CG2 4.27Å; I100-V128 HydrophobicContact CG1-CB 4.2Å; I100-V128 HydrophobicContact CG1-CG1 3.87Å; I100-V128 HydrophobicContact CG1-CG2 3.95Å; I100-V128 WeakPolarHBondContact O-CA 3.23Å; L124-V128 HydrophobicContact CD2-CG2 3.42Å; L124-V128 VanDerWaalsContact CD2-CG2 3.42Å; L124-V128 HydrophobicContact CG-CG2 3.88Å; R126-V128 PolarHBondContact O-N 3.05Å; V128-I130 HydrophobicContact CG1-CD1 4.12Å; V128-V161 HydrophobicContact CG1-CG2 4.48Å; V128-V161 WeakPolarHBondContact O-CG2 3.48Å; V128-T162 PolarHBondContact O-N 2.84Å
129W98.8Very high96.5Very high6 Ų640.8 Ų40.82%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-108.7129.1-179.4-68.518.1000109.4I15 W35 M55 I100 K101 L102 T162 T200 T228 F255I15-W129 HydrophobicContact CB-CZ2 4.06Å; I15-W129 HydrophobicContact CD1-CH2 4.32Å; I15-W129 HydrophobicContact CD1-CZ2 3.8Å; I15-W129 HydrophobicContact CG2-CZ2 3.91Å; W35-W129 HydrophobicContact CH2-CD2 4.32Å; W35-W129 AromaticContact CH2-CE3 3.62Å; W35-W129 HydrophobicContact CH2-CE3 3.62Å; W35-W129 AromaticContact CH2-CH2 3.71Å; W35-W129 HydrophobicContact CH2-CH2 3.71Å; W35-W129 HydrophobicContact CH2-CZ2 4.4Å; W35-W129 AromaticContact CH2-CZ3 3.26Å; W35-W129 HydrophobicContact CH2-CZ3 3.26Å; W35-W129 HydrophobicContact CZ2-CH2 4Å; W35-W129 AromaticContact CZ2-CZ3 3.86Å; W35-W129 HydrophobicContact CZ2-CZ3 3.86Å; W35-W129 HydrophobicContact CZ3-CE3 4.24Å; W35-W129 HydrophobicContact CZ3-CZ3 4.23Å; M55-W129 HydrophobicContact CE-CD2 4.3Å; M55-W129 HydrophobicContact CE-CG 4.19Å; I100-W129 PolarHBondContact O-N 2.73Å; K101-W129 CarbonylContact C-O 3.57Å; K101-W129 VanDerWaalsContact CA-O 3.29Å; K101-W129 WeakPolarHBondContact CA-O 3.46Å; K101-W129 HydrophobicContact CB-CB 3.99Å; K101-W129 HydrophobicContact CD-CE3 4.31Å; K101-W129 HydrophobicContact CG-CB 3.96Å; L102-W129 PolarHBondContact N-O 2.88Å; W129-T162 VanDerWaalsContact CA-O 3.32Å; W129-T162 WeakPolarHBondContact CA-O 3.44Å; W129-T162 VanDerWaalsContact CD1-CB 3.41Å; W129-T162 HydrophobicContact CD2-CG2 4.04Å; W129-T162 HydrophobicContact CG-CG2 3.98Å; W129-T162 HydrophobicContact CZ2-CG2 4.47Å; W129-T200 HydrophobicContact CE3-CG2 3.72Å; W129-T200 HydrophobicContact CH2-CG2 4.22Å; W129-T200 HydrophobicContact CZ3-CG2 3.55Å; W129-T228 WeakPolarHBondContact CZ3-OG1 3.45Å; W129-F255 AromaticContact CH2-CD2 3.73Å; W129-F255 HydrophobicContact CH2-CD2 3.73Å; W129-F255 AromaticContact CH2-CE2 3.94Å; W129-F255 HydrophobicContact CH2-CE2 3.94Å; W129-F255 HydrophobicContact CH2-CG 4.15Å; W129-F255 HydrophobicContact CZ2-CE2 4.42Å
130I98.9Very high96.1Very high0 Ų036 Ų360%017%0.173CC..EExtended strand (participates in β ladder)trans-109.4114.3178-59.4-61.7000107.9L102 F104 M114 L117 V128 F150 V154 V161 T162 S164L102-I130 HydrophobicContact CB-CD1 4.3Å; L102-I130 HydrophobicContact CD1-CD1 4.32Å; F104-I130 HydrophobicContact CD2-CG2 4.07Å; F104-I130 HydrophobicContact CE2-CD1 4.28Å; F104-I130 HydrophobicContact CE2-CG2 3.86Å; M114-I130 HydrophobicContact CE-CD1 4.29Å; L117-I130 HydrophobicContact CD1-CD1 4.05Å; V128-I130 HydrophobicContact CG1-CD1 4.12Å; I130-F150 HydrophobicContact CG2-CE2 4.21Å; I130-F150 HydrophobicContact CG2-CZ 3.66Å; I130-V154 HydrophobicContact CB-CG1 4.25Å; I130-V154 HydrophobicContact CG1-CG1 4.24Å; I130-V154 HydrophobicContact CG2-CG1 4.05Å; I130-V154 HydrophobicContact CG2-CG2 3.77Å; I130-V161 HydrophobicContact CB-CG2 4.4Å; I130-V161 HydrophobicContact CG1-CG2 3.59Å; I130-T162 PolarHBondContact N-O 3.16Å; I130-S164 PolarHBondContact O-N 3.27Å
131N98.9Very high95.7Very high2 Ų241.9 Ų41.91%0.01120%0.204CC..EExtended strand (participates in β ladder)trans-108.7141.4-171-176.7105000112K101 L102 D103 F104 S164 P202K101-N131 VanDerWaalsContact CE-CG 3.47Å; K101-N131 WeakPolarHBondContact CE-OD1 3.46Å; K101-N131 HydrophobicContact CG-CB 4.16Å; K101-N131 PolarHBondContact NZ-OD1 3.29Å; L102-N131 WeakPolarHBondContact O-CB 3.42Å; L102-N131 PolarHBondContact O-N 3.19Å; D103-N131 HydrophobicContact CB-CB 4.14Å; D103-N131 PolarHBondContact OD1-ND2 2.73Å; D103-N131 PolarHBondContact OD2-ND2 2.98Å; F104-N131 PolarHBondContact N-O 3.17Å; N131-S164 WeakPolarHBondContact CA-O 3.34Å; N131-S164 VanDerWaalsContact CG-O 3.28Å; N131-S164 WeakPolarHBondContact OD1-CB 3.36Å; N131-S164 PolarHBondContact OD1-O 2.92Å; N131-S164 VanDerWaalsContact OD1-O 3.08Å; N131-S164 PolarHBondContact OD1-OG 3.47Å; N131-P202 VanDerWaalsContact OD1-CG 3.25Å; N131-P202 WeakPolarHBondContact OD1-CG 3.2Å
132A98.8Very high95.6Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-156.4146.9165.200000110.9I134 I145 F150 S164 G166A132-I134 HydrophobicContact CB-CG2 3.87Å; A132-I134 PolarHBondContact O-N 3.35Å; A132-I145 HydrophobicContact CB-CB 4.33Å; A132-I145 HydrophobicContact CB-CD1 3.94Å; A132-I145 HydrophobicContact CB-CG2 4.49Å; A132-F150 HydrophobicContact CB-CD1 4.21Å; A132-F150 HydrophobicContact CB-CD2 4.02Å; A132-F150 HydrophobicContact CB-CE1 3.74Å; A132-F150 HydrophobicContact CB-CE2 3.54Å; A132-F150 HydrophobicContact CB-CG 4.33Å; A132-F150 HydrophobicContact CB-CZ 3.36Å; A132-S164 PolarHBondContact N-O 3.29Å; A132-S164 VanDerWaalsContact N-O 3.15Å; A132-G166 PolarHBondContact O-N 3.09Å
133D98.6Very high95.6Very high34 Ų3443.2 Ų43.218%0.18223%0.226CC..EExtended strand (participates in β ladder)trans-82.899.7165.1-71.5-25000109.7V144 I145 G166 W167 T168D133-V144 WeakPolarHBondContact O-CA 3.15Å; D133-I145 PolarHBondContact O-N 3.25Å; D133-G166 WeakPolarHBondContact OD1-CA 3.37Å; D133-W167 PolarHBondContact OD1-N 2.63Å; D133-T168 HydrophobicContact CB-CG2 3.69Å
134I98.7Very high95.8Very high6 Ų639.2 Ų39.23%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-99.1-9.7-17360.7161.6000113.8A132 I145 A147 F150 L165 G166 M188 I191A132-I134 HydrophobicContact CB-CG2 3.87Å; A132-I134 PolarHBondContact O-N 3.35Å; I134-I145 WeakPolarHBondContact CA-O 3.25Å; I134-A147 HydrophobicContact CB-CB 3.95Å; I134-A147 HydrophobicContact CD1-CB 3.95Å; I134-A147 HydrophobicContact CG1-CB 4.5Å; I134-A147 HydrophobicContact CG2-CB 4.39Å; I134-F150 HydrophobicContact CG2-CD1 4.26Å; I134-L165 HydrophobicContact CD1-CB 4.07Å; I134-L165 HydrophobicContact CD1-CD1 4.1Å; I134-L165 HydrophobicContact CD1-CD2 4.28Å; I134-L165 HydrophobicContact CD1-CG 4.35Å; I134-L165 HydrophobicContact CG1-CB 4.29Å; I134-L165 HydrophobicContact CG2-CD2 4.46Å; I134-G166 PolarHBondContact N-O 2.88Å; I134-G166 VanDerWaalsContact N-O 3.09Å; I134-M188 HydrophobicContact CD1-SD 4.12Å; I134-M188 HydrophobicContact CG1-CE 4.2Å; I134-M188 HydrophobicContact CG1-SD 4.44Å; I134-I191 HydrophobicContact CD1-CD1 4.28Å; I134-I191 HydrophobicContact CD1-CG2 4.04Å
135L98.6Very high96Very high9 Ų939.7 Ų39.75%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-132.9151.8-179.7-73179.2000112V144 W167 T168 E187 M188 I191L135-V144 WeakPolarHBondContact O-CG1 3.5Å; L135-W167 HydrophobicContact CB-CG 4.18Å; L135-W167 CarbonylContact O-C 3.33Å; L135-W167 WeakPolarHBondContact O-CA 3.3Å; L135-W167 WeakPolarHBondContact O-CB 3.32Å; L135-T168 PolarHBondContact O-N 3.15Å; L135-E187 HydrophobicContact CD1-CB 4.15Å; L135-E187 HydrophobicContact CD1-CG 3.92Å; L135-E187 HydrophobicContact CD2-CG 3.89Å; L135-M188 HydrophobicContact CD1-CB 3.91Å; L135-M188 HydrophobicContact CD1-CE 4.03Å; L135-M188 HydrophobicContact CD1-SD 4.25Å; L135-I191 HydrophobicContact CD1-CD1 4.09Å; L135-I191 HydrophobicContact CD2-CD1 3.88Å; L135-I191 HydrophobicContact CG-CD1 4.1Å
136P97.9Very high96.2Very high70 Ų7038.6 Ų38.646%0.45521%0.214SC..EExtended strand (participates in β ladder)trans-73130.7171.129.9-32.8000109.9V144P136-V144 HydrophobicContact CB-CG1 4.48Å
137G97.3Very high96.4Very high8 Ų838.8 Ų38.88%0.08222%0.218CC..  trans-115.2-173.2-179.400000113.2N139 G140 T168G137-N139 PolarHBondContact O-N 2.69Å; G137-G140 PolarHBondContact O-N 3.45Å; G137-G140 VanDerWaalsContact O-N 3.16Å; G137-T168 CarbonylContact C-O 3.56Å; G137-T168 WeakPolarHBondContact CA-O 3.32Å; G137-T168 PolarHBondContact N-O 2.87Å
138P96.1Very high96.4Very high4 Ų445 Ų453%0.02624%0.244CC..THydrogen-bonded Turntrans-60.8127.8-178.1-16.426.6000111.4G140 T169 G170 E178 G179 Y180 M184 L207P138-G140 PolarHBondContact O-N 3.47Å; P138-T169 WeakPolarHBondContact O-CA 3.48Å; P138-G170 PolarHBondContact O-N 2.83Å; P138-E178 WeakPolarHBondContact CB-O 3.44Å; P138-G179 WeakPolarHBondContact CG-O 3.1Å; P138-Y180 HydrophobicContact CG-CD1 4.04Å; P138-Y180 HydrophobicContact CG-CE1 4.33Å; P138-Y180 HydrophobicContact CG-CG 4.14Å; P138-Y180 VanDerWaalsContact CG-N 3.29Å; P138-M184 HydrophobicContact CG-CE 4.26Å; P138-M184 HydrophobicContact CG-SD 3.86Å; P138-L207 HydrophobicContact CB-CD1 4.1Å; P138-L207 HydrophobicContact CG-CD1 4.33Å
139N93.1Very high96.4Very high45 Ų4547 Ų4724%0.24126%0.258CS..THydrogen-bonded Turntrans56.613.4-178.7-43.6-61000114.7G137 G170G137-N139 PolarHBondContact O-N 2.69Å; N139-G170 WeakPolarHBondContact CB-O 3Å; N139-G170 PolarHBondContact ND2-O 3.01Å; N139-G170 WeakPolarHBondContact O-CA 3.44Å; N139-G170 PolarHBondContact O-N 2.91Å
140G89.8Confident96.4Very high18 Ų1846.7 Ų46.719%0.18626%0.257CS..  trans-75.4126.7179.700000111.5G137 P138 T168G137-G140 PolarHBondContact O-N 3.45Å; G137-G140 VanDerWaalsContact O-N 3.16Å; P138-G140 PolarHBondContact O-N 3.47Å; G140-T168 WeakPolarHBondContact CA-O 3.22Å
141N87.6Confident96.4Very high147 Ų14747.3 Ų47.379%0.78626%0.26SS*.  trans-116.8-4.7176.5-63.9-40000112.9
142S90.5Very high96.4Very high86 Ų8651.2 Ų51.260%0.60128%0.281SS*.SBendtrans-75.2151.3178.5-59.50000111.1V144S142-V144 PolarHBondContact O-N 2.81Å
143K93.1Very high96.4Very high204 Ų20452.9 Ų52.989%0.88729%0.291SS*.PPolyproline II helixtrans-66.8130.7172.2-174.3179.5177.4-176.80109.6
144V97.2Very high96.4Very high49 Ų4951.2 Ų51.230%0.29728%0.282SS..PPolyproline II helixtrans-77.3156.4174.2-59.60000111.1D133 L135 P136 S142 T168D133-V144 WeakPolarHBondContact O-CA 3.15Å; L135-V144 WeakPolarHBondContact O-CG1 3.5Å; P136-V144 HydrophobicContact CB-CG1 4.48Å; S142-V144 PolarHBondContact O-N 2.81Å; V144-T168 HydrophobicContact CG1-CG2 3.82Å
145I97.9Very high96.4Very high11 Ų1153.1 Ų53.16%0.05629%0.294CS..PPolyproline II helixtrans-79.7135.9165-68.5-172.4000108.7F104 L107 A132 D133 I134 A147 F150F104-I145 HydrophobicContact CB-CD1 3.8Å; F104-I145 WeakPolarHBondContact O-CD1 3.41Å; L107-I145 HydrophobicContact CB-CG2 4.34Å; L107-I145 HydrophobicContact CD1-CG2 4.06Å; A132-I145 HydrophobicContact CB-CB 4.33Å; A132-I145 HydrophobicContact CB-CD1 3.94Å; A132-I145 HydrophobicContact CB-CG2 4.49Å; D133-I145 PolarHBondContact O-N 3.25Å; I134-I145 WeakPolarHBondContact CA-O 3.25Å; I145-A147 PolarHBondContact O-N 3.5Å; I145-A147 VanDerWaalsContact O-N 3.16Å; I145-F150 HydrophobicContact CG2-CB 3.76Å; I145-F150 HydrophobicContact CG2-CD2 3.96Å; I145-F150 HydrophobicContact CG2-CG 4.05Å
146D98.3Very high96.3Very high100 Ų10060.7 Ų60.754%0.53533%0.327SS..PPolyproline II helixtrans-64.4117.7175.4-171.6-12.3000110L107 K148 P149 F150L107-D146 HydrophobicContact CD2-CB 4.39Å; D146-K148 PolarHBondContact O-N 3.23Å; D146-P149 HydrophobicContact CB-CG 3.7Å; D146-P149 VanDerWaalsContact CG-CD 3.42Å; D146-P149 WeakPolarHBondContact O-CD 3.17Å; D146-P149 WeakPolarHBondContact OD1-CD 3.41Å; D146-F150 WeakPolarHBondContact O-CB 2.86Å; D146-F150 PolarHBondContact O-N 3.32Å
147A98.3Very high96.3Very high15 Ų1559.3 Ų59.312%0.12431%0.314CS..Hα-helixtrans-60.1-47.2-17000000112.3I134 I145 F150 L151 I191I134-A147 HydrophobicContact CB-CB 3.95Å; I134-A147 HydrophobicContact CD1-CB 3.95Å; I134-A147 HydrophobicContact CG1-CB 4.5Å; I134-A147 HydrophobicContact CG2-CB 4.39Å; I145-A147 PolarHBondContact O-N 3.5Å; I145-A147 VanDerWaalsContact O-N 3.16Å; A147-F150 PolarHBondContact O-N 2.93Å; A147-L151 WeakPolarHBondContact O-CB 3.42Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 3.47Å; A147-I191 HydrophobicContact CB-CD1 4.17Å; A147-I191 HydrophobicContact CB-CG2 4.47Å
148K98.2Very high96.3Very high130 Ų13059 Ų5957%0.56531%0.31SS*.Hα-helixtrans-63.4-57.4-172.4178.9162.4-179.947.40112.9D146 F150 L151 D152D146-K148 PolarHBondContact O-N 3.23Å; K148-F150 VanDerWaalsContact C-N 3.26Å; K148-F150 PolarHBondContact O-N 2.87Å; K148-L151 PolarHBondContact O-N 3.29Å; K148-D152 WeakPolarHBondContact CE-OD2 3.32Å; K148-D152 WeakPolarHBondContact CG-OD2 3.4Å; K148-D152 IonicContact NZ-OD1 3.25Å; K148-D152 PolarHBondContact NZ-OD1 3.07Å; K148-D152 IonicContact NZ-OD2 3.96Å; K148-D152 PolarHBondContact NZ-OD2 3.28Å; K148-D152 WeakPolarHBondContact O-CB 3.49Å; K148-D152 VanDerWaalsContact O-CG 3.23Å; K148-D152 PolarHBondContact O-N 3.32Å
149P98.5Very high96.3Very high43 Ų4362.5 Ų62.528%0.27933%0.333SS..Hα-helixtrans-62.3-34.7178.925.1-34.3000112.1L107 D146 T153L107-P149 HydrophobicContact CD1-CB 4.22Å; L107-P149 HydrophobicContact CD1-CG 4.15Å; L107-P149 HydrophobicContact CD2-CB 4.12Å; L107-P149 HydrophobicContact CD2-CG 3.67Å; D146-P149 HydrophobicContact CB-CG 3.7Å; D146-P149 VanDerWaalsContact CG-CD 3.42Å; D146-P149 WeakPolarHBondContact O-CD 3.17Å; D146-P149 WeakPolarHBondContact OD1-CD 3.41Å; P149-T153 WeakPolarHBondContact O-CB 3.31Å; P149-T153 PolarHBondContact O-N 3.17Å; P149-T153 PolarHBondContact O-OG1 2.89Å
150F98.8Very high96.3Very high0 Ų062.9 Ų62.90%034%0.335CS..Hα-helixtrans-60.1-53.2174.5175.8-96.6000112.2F104 L107 V110 I130 A132 I134 I145 D146 A147 K148 V154 F163 L165F104-F150 HydrophobicContact CB-CE2 4.08Å; F104-F150 HydrophobicContact CD2-CE2 4.08Å; F104-F150 HydrophobicContact CG-CE2 4.15Å; L107-F150 HydrophobicContact CD1-CB 4.06Å; V110-F150 HydrophobicContact CG1-CD2 4.17Å; V110-F150 HydrophobicContact CG1-CE2 4.5Å; V110-F150 HydrophobicContact CG2-CD2 3.69Å; V110-F150 HydrophobicContact CG2-CE2 4.08Å; I130-F150 HydrophobicContact CG2-CE2 4.21Å; I130-F150 HydrophobicContact CG2-CZ 3.66Å; A132-F150 HydrophobicContact CB-CD1 4.21Å; A132-F150 HydrophobicContact CB-CD2 4.02Å; A132-F150 HydrophobicContact CB-CE1 3.74Å; A132-F150 HydrophobicContact CB-CE2 3.54Å; A132-F150 HydrophobicContact CB-CG 4.33Å; A132-F150 HydrophobicContact CB-CZ 3.36Å; I134-F150 HydrophobicContact CG2-CD1 4.26Å; I145-F150 HydrophobicContact CG2-CB 3.76Å; I145-F150 HydrophobicContact CG2-CD2 3.96Å; I145-F150 HydrophobicContact CG2-CG 4.05Å; D146-F150 WeakPolarHBondContact O-CB 2.86Å; D146-F150 PolarHBondContact O-N 3.32Å; A147-F150 PolarHBondContact O-N 2.93Å; K148-F150 VanDerWaalsContact C-N 3.26Å; K148-F150 PolarHBondContact O-N 2.87Å; F150-V154 HydrophobicContact CE2-CG2 4.29Å; F150-V154 HydrophobicContact CZ-CG2 4.31Å; F150-V154 VanDerWaalsContact O-CG2 3.3Å; F150-V154 WeakPolarHBondContact O-CG2 3.47Å; F150-V154 PolarHBondContact O-N 3.32Å; F150-F163 HydrophobicContact CE1-CD1 4.23Å; F150-F163 HydrophobicContact CE1-CE1 4.13Å; F150-L165 HydrophobicContact CD1-CD2 4.44Å; F150-L165 HydrophobicContact CE1-CD2 3.83Å
151L98.7Very high96.6Very high12 Ų1262 Ų626%0.06333%0.326CS..Hα-helixtrans-66.4-41.8-178-67.2172000112A147 K148 T155 F163 L165 I191 L195A147-L151 WeakPolarHBondContact O-CB 3.42Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 3.47Å; K148-L151 PolarHBondContact O-N 3.29Å; L151-T155 WeakPolarHBondContact O-CB 2.95Å; L151-T155 PolarHBondContact O-N 2.95Å; L151-T155 PolarHBondContact O-OG1 3.45Å; L151-F163 HydrophobicContact CD2-CD1 4.04Å; L151-F163 HydrophobicContact CD2-CD2 4.35Å; L151-F163 HydrophobicContact CD2-CE1 3.74Å; L151-F163 HydrophobicContact CD2-CE2 4.07Å; L151-F163 HydrophobicContact CD2-CG 4.34Å; L151-F163 HydrophobicContact CD2-CZ 3.76Å; L151-L165 HydrophobicContact CD2-CD1 3.94Å; L151-L165 HydrophobicContact CD2-CD2 4.04Å; L151-I191 HydrophobicContact CD1-CG2 3.58Å; L151-L195 HydrophobicContact CD1-CD2 4.37Å; L151-L195 HydrophobicContact CD2-CD1 4.1Å; L151-L195 HydrophobicContact CD2-CD2 4.3Å
152D98.5Very high97.2Very high84 Ų8455.4 Ų55.445%0.44929%0.291SS..Hα-helixtrans-61.5-48.4178.1-73.1-14000110.5K148 F156K148-D152 WeakPolarHBondContact CE-OD2 3.32Å; K148-D152 WeakPolarHBondContact CG-OD2 3.4Å; K148-D152 IonicContact NZ-OD1 3.25Å; K148-D152 PolarHBondContact NZ-OD1 3.07Å; K148-D152 IonicContact NZ-OD2 3.96Å; K148-D152 PolarHBondContact NZ-OD2 3.28Å; K148-D152 WeakPolarHBondContact O-CB 3.49Å; K148-D152 VanDerWaalsContact O-CG 3.23Å; K148-D152 PolarHBondContact O-N 3.32Å; D152-F156 VanDerWaalsContact O-CB 3.29Å; D152-F156 WeakPolarHBondContact O-CB 3.35Å; D152-F156 PolarHBondContact O-N 3.26Å
153T98.8Very high97.6Very high35 Ų3551.3 Ų51.322%0.21526%0.262CS..Hα-helixtrans-63.5-49.5179.1-63.10000111.5V110 E111 M114 P149 T155 F156 F157V110-T153 HydrophobicContact CG1-CG2 3.85Å; E111-T153 HydrophobicContact CB-CG2 3.95Å; M114-T153 HydrophobicContact CG-CG2 4.25Å; P149-T153 WeakPolarHBondContact O-CB 3.31Å; P149-T153 PolarHBondContact O-N 3.17Å; P149-T153 PolarHBondContact O-OG1 2.89Å; T153-T155 PolarHBondContact O-N 3.07Å; T153-F156 PolarHBondContact O-N 3.46Å; T153-F157 HydrophobicContact CG2-CD2 4.39Å; T153-F157 HydrophobicContact CG2-CE2 4.37Å; T153-F157 WeakPolarHBondContact O-CD2 3.47Å; T153-F157 PolarHBondContact O-N 3.14Å
154V98.7Very high97.8Very high0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-63.4-43.7-178.6175.50000111V110 M114 I130 F150 F156 F157 F158 V161 F163V110-V154 HydrophobicContact CG1-CG2 3.9Å; M114-V154 HydrophobicContact CE-CG2 4.17Å; M114-V154 HydrophobicContact SD-CB 4.45Å; M114-V154 HydrophobicContact SD-CG1 4.36Å; M114-V154 HydrophobicContact SD-CG2 4.04Å; I130-V154 HydrophobicContact CB-CG1 4.25Å; I130-V154 HydrophobicContact CG1-CG1 4.24Å; I130-V154 HydrophobicContact CG2-CG1 4.05Å; I130-V154 HydrophobicContact CG2-CG2 3.77Å; F150-V154 HydrophobicContact CE2-CG2 4.29Å; F150-V154 HydrophobicContact CZ-CG2 4.31Å; F150-V154 VanDerWaalsContact O-CG2 3.3Å; F150-V154 WeakPolarHBondContact O-CG2 3.47Å; F150-V154 PolarHBondContact O-N 3.32Å; V154-F156 VanDerWaalsContact C-N 3.31Å; V154-F156 PolarHBondContact O-N 2.96Å; V154-F157 PolarHBondContact O-N 2.95Å; V154-F158 PolarHBondContact O-N 3.12Å; V154-V161 HydrophobicContact CG1-CG1 3.89Å; V154-F163 HydrophobicContact CB-CE1 3.69Å; V154-F163 HydrophobicContact CB-CZ 3.88Å; V154-F163 HydrophobicContact CG1-CD1 4.45Å; V154-F163 HydrophobicContact CG1-CE1 3.42Å; V154-F163 VanDerWaalsContact CG1-CE1 3.42Å; V154-F163 HydrophobicContact CG1-CZ 3.67Å; V154-F163 HydrophobicContact CG2-CE1 4.27Å
155T97.9Very high97.9Very high46 Ų4639.2 Ų39.228%0.28221%0.206SC..Hα-helixtrans-66.4-33.6-179.8-57.90000112.3L151 T153 Q197L151-T155 WeakPolarHBondContact O-CB 2.95Å; L151-T155 PolarHBondContact O-N 2.95Å; L151-T155 PolarHBondContact O-OG1 3.45Å; T153-T155 PolarHBondContact O-N 3.07Å; T155-Q197 PolarHBondContact OG1-NE2 2.82Å
156F97.9Very high97.9Very high168 Ų16838.7 Ų38.774%0.73720%0.203SC*.Hα-helixtrans-60.6-43.6175.8174.1-99.7000112.2D152 T153 V154D152-F156 VanDerWaalsContact O-CB 3.29Å; D152-F156 WeakPolarHBondContact O-CB 3.35Å; D152-F156 PolarHBondContact O-N 3.26Å; T153-F156 PolarHBondContact O-N 3.46Å; V154-F156 VanDerWaalsContact C-N 3.31Å; V154-F156 PolarHBondContact O-N 2.96Å
157F98.1Very high98Very high41 Ų4134 Ų3418%0.1818%0.178CC..Hα-helixtrans-81.4-42.4178.2-77.3-94.2000112.9E111 M114 M115 T153 V154E111-F157 HydrophobicContact CG-CE2 4.47Å; M114-F157 HydrophobicContact CB-CB 4.02Å; M114-F157 HydrophobicContact CB-CD1 3.92Å; M114-F157 HydrophobicContact CB-CD2 3.52Å; M114-F157 HydrophobicContact CB-CE1 4.23Å; M114-F157 HydrophobicContact CB-CE2 3.87Å; M114-F157 HydrophobicContact CB-CG 3.56Å; M114-F157 HydrophobicContact CB-CZ 4.22Å; M114-F157 HydrophobicContact CG-CB 4.31Å; M114-F157 HydrophobicContact CG-CD2 3.94Å; M114-F157 HydrophobicContact CG-CG 4.2Å; M115-F157 HydrophobicContact CG-CE1 4.08Å; M115-F157 HydrophobicContact CG-CZ 3.95Å; T153-F157 HydrophobicContact CG2-CD2 4.39Å; T153-F157 HydrophobicContact CG2-CE2 4.37Å; T153-F157 WeakPolarHBondContact O-CD2 3.47Å; T153-F157 PolarHBondContact O-N 3.14Å; V154-F157 PolarHBondContact O-N 2.95Å
158F97.1Very high97.9Very high0 Ų033.4 Ų33.40%017%0.173CC..  trans-134.580.3-169.5-52.8-68.7000111W11 M114 L117 E118 K121 V154 D160 V161W11-F158 HydrophobicContact CD2-CD1 4.5Å; W11-F158 HydrophobicContact CE3-CB 4.12Å; W11-F158 AromaticContact CE3-CD1 3.62Å; W11-F158 HydrophobicContact CE3-CD1 3.62Å; W11-F158 HydrophobicContact CE3-CD2 4.38Å; W11-F158 HydrophobicContact CE3-CE1 4.14Å; W11-F158 AromaticContact CE3-CG 3.77Å; W11-F158 HydrophobicContact CE3-CG 3.77Å; W11-F158 AromaticContact CH2-CD1 3.71Å; W11-F158 HydrophobicContact CH2-CD1 3.71Å; W11-F158 AromaticContact CH2-CE1 3.32Å; W11-F158 HydrophobicContact CH2-CE1 3.32Å; W11-F158 HydrophobicContact CH2-CE2 4.2Å; W11-F158 HydrophobicContact CH2-CG 4.31Å; W11-F158 AromaticContact CH2-CZ 3.62Å; W11-F158 HydrophobicContact CH2-CZ 3.62Å; W11-F158 HydrophobicContact CZ2-CE1 4.27Å; W11-F158 HydrophobicContact CZ3-CB 4.21Å; W11-F158 AromaticContact CZ3-CD1 3.15Å; W11-F158 HydrophobicContact CZ3-CD1 3.15Å; W11-F158 AromaticContact CZ3-CD2 3.66Å; W11-F158 HydrophobicContact CZ3-CD2 3.66Å; W11-F158 AromaticContact CZ3-CE1 3.25Å; W11-F158 HydrophobicContact CZ3-CE1 3.25Å; W11-F158 AromaticContact CZ3-CE2 3.74Å; W11-F158 HydrophobicContact CZ3-CE2 3.74Å; W11-F158 AromaticContact CZ3-CG 3.38Å; W11-F158 HydrophobicContact CZ3-CG 3.38Å; W11-F158 AromaticContact CZ3-CZ 3.57Å; W11-F158 HydrophobicContact CZ3-CZ 3.57Å; M114-F158 HydrophobicContact CB-CE2 3.99Å; M114-F158 HydrophobicContact CG-CE2 4.27Å; M114-F158 HydrophobicContact SD-CD2 3.59Å; M114-F158 VanDerWaalsContact SD-CD2 3.59Å; M114-F158 HydrophobicContact SD-CE2 3.58Å; M114-F158 VanDerWaalsContact SD-CE2 3.58Å; L117-F158 HydrophobicContact CB-CE2 3.81Å; L117-F158 HydrophobicContact CB-CZ 3.65Å; L117-F158 HydrophobicContact CD1-CE2 4.25Å; E118-F158 HydrophobicContact CB-CZ 4.18Å; E118-F158 WeakPolarHBondContact OE2-CE1 3.42Å; K121-F158 HydrophobicContact CD-CD1 4.35Å; K121-F158 HydrophobicContact CD-CE1 3.92Å; K121-F158 HydrophobicContact CG-CE1 4.38Å; V154-F158 PolarHBondContact O-N 3.12Å; F158-D160 PolarHBondContact O-N 3.34Å; F158-V161 HydrophobicContact CB-CB 4.05Å; F158-V161 HydrophobicContact CB-CG1 4.46Å; F158-V161 VanDerWaalsContact O-CG1 3.32Å; F158-V161 WeakPolarHBondContact O-CG1 3.48Å
159P95.1Very high97.8Very high78 Ų7828 Ų2851%0.50615%0.151SC..THydrogen-bonded Turntrans-65.5-21.5174.727.5-35.3000112.4Q197P159-Q197 WeakPolarHBondContact O-CG 3.45Å
160D93Very high97.5Very high54 Ų5426.5 Ų26.529%0.28914%0.143SC..THydrogen-bonded Turntrans-103.744.2-177.773-50000112.9S10 W11 S12 F158S10-D160 PolarHBondContact OG-O 3.13Å; S10-D160 PolarHBondContact OG-OD2 3.14Å; W11-D160 CarbonylContact C-O 3.56Å; W11-D160 VanDerWaalsContact C-O 3.31Å; W11-D160 WeakPolarHBondContact CA-O 3.42Å; W11-D160 WeakPolarHBondContact CB-O 3.34Å; W11-D160 PolarHBondContact N-O 3.49Å; S12-D160 VanDerWaalsContact CB-C 3.44Å; S12-D160 WeakPolarHBondContact CB-O 3.24Å; S12-D160 PolarHBondContact N-O 2.63Å; S12-D160 PolarHBondContact OG-O 3.08Å; S12-D160 VanDerWaalsContact OG-O 3.13Å; F158-D160 PolarHBondContact O-N 3.34Å
161V97.4Very high97.3Very high0 Ų028.7 Ų28.70%015%0.151CC..  trans-108.6161.2179.376.10000112.4W11 V128 I130 V154 F158 F163 Q197W11-V161 HydrophobicContact CB-CG2 4.47Å; W11-V161 HydrophobicContact CE3-CG2 4.25Å; V128-V161 HydrophobicContact CG1-CG2 4.48Å; V128-V161 WeakPolarHBondContact O-CG2 3.48Å; I130-V161 HydrophobicContact CB-CG2 4.4Å; I130-V161 HydrophobicContact CG1-CG2 3.59Å; V154-V161 HydrophobicContact CG1-CG1 3.89Å; F158-V161 HydrophobicContact CB-CB 4.05Å; F158-V161 HydrophobicContact CB-CG1 4.46Å; F158-V161 VanDerWaalsContact O-CG1 3.32Å; F158-V161 WeakPolarHBondContact O-CG1 3.48Å; V161-F163 HydrophobicContact CG1-CE1 4.47Å; V161-F163 HydrophobicContact CG1-CE2 4.35Å; V161-F163 HydrophobicContact CG1-CZ 4.29Å; V161-Q197 HydrophobicContact CG1-CG 4.45Å; V161-Q197 WeakPolarHBondContact O-CB 3.48Å; V161-Q197 WeakPolarHBondContact O-CG 3.47Å
162T98.6Very high96.8Very high7 Ų731 Ų314%0.04316%0.161CC..EExtended strand (participates in β ladder)trans-94127.1165.7-59.20000109.7V128 W129 I130 P198V128-T162 PolarHBondContact O-N 2.84Å; W129-T162 VanDerWaalsContact CA-O 3.32Å; W129-T162 WeakPolarHBondContact CA-O 3.44Å; W129-T162 VanDerWaalsContact CD1-CB 3.41Å; W129-T162 HydrophobicContact CD2-CG2 4.04Å; W129-T162 HydrophobicContact CG-CG2 3.98Å; W129-T162 HydrophobicContact CZ2-CG2 4.47Å; I130-T162 PolarHBondContact N-O 3.16Å; T162-P198 HydrophobicContact CG2-CB 4.14Å
163F98.9Very high96.4Very high0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-86.8143.8171.8-78.1-65.1000111.4F150 L151 V154 V161 L165 L195 Q197 P198 V199 T200F150-F163 HydrophobicContact CE1-CD1 4.23Å; F150-F163 HydrophobicContact CE1-CE1 4.13Å; L151-F163 HydrophobicContact CD2-CD1 4.04Å; L151-F163 HydrophobicContact CD2-CD2 4.35Å; L151-F163 HydrophobicContact CD2-CE1 3.74Å; L151-F163 HydrophobicContact CD2-CE2 4.07Å; L151-F163 HydrophobicContact CD2-CG 4.34Å; L151-F163 HydrophobicContact CD2-CZ 3.76Å; V154-F163 HydrophobicContact CB-CE1 3.69Å; V154-F163 HydrophobicContact CB-CZ 3.88Å; V154-F163 HydrophobicContact CG1-CD1 4.45Å; V154-F163 HydrophobicContact CG1-CE1 3.42Å; V154-F163 VanDerWaalsContact CG1-CE1 3.42Å; V154-F163 HydrophobicContact CG1-CZ 3.67Å; V154-F163 HydrophobicContact CG2-CE1 4.27Å; V161-F163 HydrophobicContact CG1-CE1 4.47Å; V161-F163 HydrophobicContact CG1-CE2 4.35Å; V161-F163 HydrophobicContact CG1-CZ 4.29Å; F163-L165 HydrophobicContact CB-CD1 4.14Å; F163-L165 HydrophobicContact CB-CD2 4.14Å; F163-L165 HydrophobicContact CB-CG 3.9Å; F163-L165 HydrophobicContact CD1-CD2 4.11Å; F163-L165 HydrophobicContact CG-CD2 4.39Å; F163-L195 HydrophobicContact CD2-CD1 3.99Å; F163-L195 HydrophobicContact CE2-CD1 4.35Å; F163-L195 HydrophobicContact CE2-CD2 4.24Å; F163-Q197 HydrophobicContact CD2-CB 3.8Å; F163-Q197 HydrophobicContact CD2-CG 4.08Å; F163-Q197 HydrophobicContact CE2-CB 4.19Å; F163-Q197 HydrophobicContact CE2-CG 3.95Å; F163-P198 PolarHBondContact N-O 3.31Å; F163-V199 HydrophobicContact CB-CG1 4.39Å; F163-V199 HydrophobicContact CB-CG2 4.4Å; F163-V199 CarbonylContact O-C 3.48Å; F163-V199 WeakPolarHBondContact O-CA 3.34Å; F163-T200 PolarHBondContact O-N 3.34Å
164S98.8Very high95.8Very high0 Ų039.1 Ų39.10%020%0.203CC..EExtended strand (participates in β ladder)trans-123.687.2172.9179.10000108.6K101 I130 N131 A132 T200 P202K101-S164 WeakPolarHBondContact CE-OG 3.42Å; I130-S164 PolarHBondContact O-N 3.27Å; N131-S164 WeakPolarHBondContact CA-O 3.34Å; N131-S164 VanDerWaalsContact CG-O 3.28Å; N131-S164 WeakPolarHBondContact OD1-CB 3.36Å; N131-S164 PolarHBondContact OD1-O 2.92Å; N131-S164 VanDerWaalsContact OD1-O 3.08Å; N131-S164 PolarHBondContact OD1-OG 3.47Å; A132-S164 PolarHBondContact N-O 3.29Å; A132-S164 VanDerWaalsContact N-O 3.15Å; S164-T200 CarbonylContact C-O 3.52Å; S164-T200 VanDerWaalsContact CA-O 3.29Å; S164-T200 WeakPolarHBondContact CA-O 3.5Å; S164-T200 VanDerWaalsContact CB-CG2 3.5Å; S164-T200 WeakPolarHBondContact OG-CG2 3.32Å; S164-P202 WeakPolarHBondContact OG-CG 3.18Å
165L98.9Very high95.2Very high0 Ų045.6 Ų45.60%023%0.231CC..EExtended strand (participates in β ladder)trans-102.6113.5-166.9-56.8176.8000110.2I134 F150 L151 F163 M188 L195 V199 T200 P202I134-L165 HydrophobicContact CD1-CB 4.07Å; I134-L165 HydrophobicContact CD1-CD1 4.1Å; I134-L165 HydrophobicContact CD1-CD2 4.28Å; I134-L165 HydrophobicContact CD1-CG 4.35Å; I134-L165 HydrophobicContact CG1-CB 4.29Å; I134-L165 HydrophobicContact CG2-CD2 4.46Å; F150-L165 HydrophobicContact CD1-CD2 4.44Å; F150-L165 HydrophobicContact CE1-CD2 3.83Å; L151-L165 HydrophobicContact CD2-CD1 3.94Å; L151-L165 HydrophobicContact CD2-CD2 4.04Å; F163-L165 HydrophobicContact CB-CD1 4.14Å; F163-L165 HydrophobicContact CB-CD2 4.14Å; F163-L165 HydrophobicContact CB-CG 3.9Å; F163-L165 HydrophobicContact CD1-CD2 4.11Å; F163-L165 HydrophobicContact CG-CD2 4.39Å; L165-M188 HydrophobicContact CB-CE 4.24Å; L165-M188 HydrophobicContact CB-SD 3.97Å; L165-M188 WeakPolarHBondContact O-CE 3.49Å; L165-L195 HydrophobicContact CD1-CD1 3.88Å; L165-V199 HydrophobicContact CB-CG1 4.34Å; L165-V199 HydrophobicContact CD1-CG1 3.99Å; L165-V199 HydrophobicContact CG-CG1 4.12Å; L165-T200 PolarHBondContact N-O 2.89Å; L165-P202 VanDerWaalsContact O-CD 3.3Å; L165-P202 WeakPolarHBondContact O-CD 3.37Å
166G98.4Very high94.5Very high0 Ų049.3 Ų49.30%025%0.254CS..EExtended strand (participates in β ladder)trans-109180-171.500000113.7A132 D133 I134 M188A132-G166 PolarHBondContact O-N 3.09Å; D133-G166 WeakPolarHBondContact OD1-CA 3.37Å; I134-G166 PolarHBondContact N-O 2.88Å; I134-G166 VanDerWaalsContact N-O 3.09Å; G166-M188 WeakPolarHBondContact O-CE 3.4Å
167W98.6Very high94.2Very high1 Ų142.5 Ų42.50%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-116.3146165.8-59.2-102.6000109.4D133 L135 T169 Y180 M184 V185 M188 F201 V203 L218D133-W167 PolarHBondContact OD1-N 2.63Å; L135-W167 HydrophobicContact CB-CG 4.18Å; L135-W167 CarbonylContact O-C 3.33Å; L135-W167 WeakPolarHBondContact O-CA 3.3Å; L135-W167 WeakPolarHBondContact O-CB 3.32Å; W167-T169 WeakPolarHBondContact O-CG2 3.32Å; W167-T169 PolarHBondContact O-N 3.08Å; W167-Y180 HydrophobicContact CB-CE1 4.28Å; W167-Y180 AromaticContact CD2-CD1 3.92Å; W167-Y180 HydrophobicContact CD2-CD1 3.92Å; W167-Y180 AromaticContact CD2-CE1 3.83Å; W167-Y180 HydrophobicContact CD2-CE1 3.83Å; W167-Y180 AromaticContact CE3-CD1 3.83Å; W167-Y180 HydrophobicContact CE3-CD1 3.83Å; W167-Y180 AromaticContact CE3-CE1 3.48Å; W167-Y180 HydrophobicContact CE3-CE1 3.48Å; W167-Y180 VanDerWaalsContact CE3-CE1 3.48Å; W167-Y180 HydrophobicContact CG-CD1 4.39Å; W167-Y180 HydrophobicContact CG-CE1 4.2Å; W167-Y180 HydrophobicContact CZ3-CD1 4.16Å; W167-Y180 HydrophobicContact CZ3-CE1 4.05Å; W167-M184 PolarHBondContact NE1-O 3.37Å; W167-V185 HydrophobicContact CZ2-CG1 4.48Å; W167-M188 HydrophobicContact CD2-CE 3.82Å; W167-M188 HydrophobicContact CE3-CE 4.06Å; W167-M188 HydrophobicContact CG-CE 4.45Å; W167-M188 HydrophobicContact CH2-CB 4.03Å; W167-M188 HydrophobicContact CH2-CE 3.98Å; W167-M188 HydrophobicContact CH2-CG 3.87Å; W167-M188 HydrophobicContact CZ2-CB 3.35Å; W167-M188 HydrophobicContact CZ2-CE 3.74Å; W167-M188 HydrophobicContact CZ2-CG 3.68Å; W167-M188 HydrophobicContact CZ3-CE 4.14Å; W167-F201 HydrophobicContact CH2-CB 4.38Å; W167-F201 HydrophobicContact CZ3-CB 4.05Å; W167-V203 HydrophobicContact CZ3-CG1 4.08Å; W167-L218 HydrophobicContact CH2-CD2 3.94Å
168T97.2Very high93.9Very high3 Ų347 Ų472%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-62.7130165.459.80000108.7D133 L135 G137 G140 V144D133-T168 HydrophobicContact CB-CG2 3.69Å; L135-T168 PolarHBondContact O-N 3.15Å; G137-T168 CarbonylContact C-O 3.56Å; G137-T168 WeakPolarHBondContact CA-O 3.32Å; G137-T168 PolarHBondContact N-O 2.87Å; G140-T168 WeakPolarHBondContact CA-O 3.22Å; V144-T168 HydrophobicContact CG1-CG2 3.82Å
169T95.9Very high93.9Very high16 Ų1647.5 Ų47.510%0.09825%0.252CS..  trans-131.7155.4-175.251.30000110.9P138 W167 Y180 R204 L207 W230P138-T169 WeakPolarHBondContact O-CA 3.48Å; W167-T169 WeakPolarHBondContact O-CG2 3.32Å; W167-T169 PolarHBondContact O-N 3.08Å; T169-Y180 HydrophobicContact CG2-CE1 4.16Å; T169-Y180 WeakPolarHBondContact CG2-OH 3.44Å; T169-R204 PolarHBondContact O-NH2 3.28Å; T169-R204 PolarHBondContact OG1-NE 2.81Å; T169-R204 PolarHBondContact OG1-NH2 2.9Å; T169-L207 HydrophobicContact CG2-CD1 4.1Å; T169-W230 VanDerWaalsContact OG1-CZ2 3.25Å; T169-W230 WeakPolarHBondContact OG1-CZ2 3.33Å
170G92.9Very high94.1Very high11 Ų1143.9 Ų43.911%0.11323%0.228CC..  trans-130.8156.8170.100000111.2P138 N139P138-G170 PolarHBondContact O-N 2.83Å; N139-G170 WeakPolarHBondContact CB-O 3Å; N139-G170 PolarHBondContact ND2-O 3.01Å; N139-G170 WeakPolarHBondContact O-CA 3.44Å; N139-G170 PolarHBondContact O-N 2.91Å
171W93.4Very high94.3Very high46 Ų4643.5 Ų43.517%0.17423%0.23CC..  trans-133.4139.8168-177.688.6000109.4P173 N177 A206 N234 D235 N236W171-P173 VanDerWaalsContact CH2-CA 3.4Å; W171-P173 HydrophobicContact CH2-CB 3.53Å; W171-P173 HydrophobicContact CH2-CG 4.31Å; W171-P173 HydrophobicContact CZ2-CB 4.37Å; W171-P173 HydrophobicContact CZ3-CB 3.81Å; W171-P173 HydrophobicContact CZ3-CG 4.09Å; W171-N177 WeakPolarHBondContact CA-OD1 3.5Å; W171-N177 PolarHBondContact NE1-ND2 2.78Å; W171-A206 HydrophobicContact CG-CB 4.19Å; W171-N234 VanDerWaalsContact CE3-O 3.26Å; W171-N234 WeakPolarHBondContact CZ3-O 3.47Å; W171-D235 VanDerWaalsContact CB-OD1 3.31Å; W171-D235 WeakPolarHBondContact CB-OD1 3.29Å; W171-N236 HydrophobicContact CH2-CB 3.71Å; W171-N236 HydrophobicContact CZ2-CB 3.41Å; W171-N236 VanDerWaalsContact CZ2-CB 3.41Å
172H89.1Confident94.4Very high61 Ų6148.7 Ų48.728%0.28225%0.249SC..  trans-136127.5-178.3-65.9-63000111.1E174 K175 N177H172-E174 VanDerWaalsContact C-N 3.27Å; H172-E174 PolarHBondContact O-N 2.99Å; H172-K175 HydrophobicContact CB-CB 3.96Å; H172-K175 HydrophobicContact CB-CD 4.08Å; H172-K175 HydrophobicContact CB-CG 4.04Å; H172-K175 PolarHBondContact O-N 3.43Å; H172-N177 PolarHBondContact N-OD1 3.21Å; H172-N177 PolarHBondContact O-ND2 3.03Å
173P89.3Confident94.4Very high99 Ų9953.3 Ų53.364%0.64328%0.278SS*.THydrogen-bonded Turntrans-65.7-28.7-177.222.9-31.3000113.6W171W171-P173 VanDerWaalsContact CH2-CA 3.4Å; W171-P173 HydrophobicContact CH2-CB 3.53Å; W171-P173 HydrophobicContact CH2-CG 4.31Å; W171-P173 HydrophobicContact CZ2-CB 4.37Å; W171-P173 HydrophobicContact CZ3-CB 3.81Å; W171-P173 HydrophobicContact CZ3-CG 4.09Å
174E87.2Confident94.4Very high190 Ų19055.2 Ų55.289%0.88829%0.287SS*.THydrogen-bonded Turntrans-101.13.4-172.6-62.5178179.900113.4H172H172-E174 VanDerWaalsContact C-N 3.27Å; H172-E174 PolarHBondContact O-N 2.99Å
175K85Confident94.4Very high136 Ų13655.2 Ų55.259%0.59129%0.287SS*.SBendtrans-121.9157.4-177.5-59.1-176.2-178.5175.70111H172 N177H172-K175 HydrophobicContact CB-CB 3.96Å; H172-K175 HydrophobicContact CB-CD 4.08Å; H172-K175 HydrophobicContact CB-CG 4.04Å; H172-K175 PolarHBondContact O-N 3.43Å; K175-N177 PolarHBondContact O-N 3.02Å; K175-N177 PolarHBondContact O-ND2 3.01Å; K175-N177 VanDerWaalsContact O-ND2 3.14Å
176V84Confident94.4Very high125 Ų12560.5 Ų60.576%0.75831%0.31SS*.  trans-65.3118164.11790000107.4E178V176-E178 PolarHBondContact O-N 2.9Å
177N90.5Very high94.4Very high24 Ų2464.8 Ų64.813%0.12833%0.33CS..  trans-87.897175.9-68.7-77000108.2W171 H172 K175 L207W171-N177 WeakPolarHBondContact CA-OD1 3.5Å; W171-N177 PolarHBondContact NE1-ND2 2.78Å; H172-N177 PolarHBondContact N-OD1 3.21Å; H172-N177 PolarHBondContact O-ND2 3.03Å; K175-N177 PolarHBondContact O-N 3.02Å; K175-N177 PolarHBondContact O-ND2 3.01Å; K175-N177 VanDerWaalsContact O-ND2 3.14Å; N177-L207 HydrophobicContact CB-CD2 3.67Å
178E92.8Very high94.4Very high135 Ų13564.7 Ų64.763%0.63133%0.33SS*.  trans-63.8146.8173.9-64.1-174.7173.500110.8P138 V176P138-E178 WeakPolarHBondContact CB-O 3.44Å; V176-E178 PolarHBondContact O-N 2.9Å
179G96.8Very high94.5Very high12 Ų1266.5 Ų66.512%0.12434%0.338CS..  trans-87.7178.6171.700000112.8P138 S181 S211P138-G179 WeakPolarHBondContact CG-O 3.1Å; G179-S181 PolarHBondContact O-N 3.06Å; G179-S211 WeakPolarHBondContact CA-OG 3.48Å
180Y98.4Very high94.6Very high1 Ų173.3 Ų73.30%0.00436%0.363CS..  trans-53.3120.3168.2-52.9-89.8000112.2P138 W167 T169 V203 R204 L207 S211 L215P138-Y180 HydrophobicContact CG-CD1 4.04Å; P138-Y180 HydrophobicContact CG-CE1 4.33Å; P138-Y180 HydrophobicContact CG-CG 4.14Å; P138-Y180 VanDerWaalsContact CG-N 3.29Å; W167-Y180 HydrophobicContact CB-CE1 4.28Å; W167-Y180 AromaticContact CD2-CD1 3.92Å; W167-Y180 HydrophobicContact CD2-CD1 3.92Å; W167-Y180 AromaticContact CD2-CE1 3.83Å; W167-Y180 HydrophobicContact CD2-CE1 3.83Å; W167-Y180 AromaticContact CE3-CD1 3.83Å; W167-Y180 HydrophobicContact CE3-CD1 3.83Å; W167-Y180 AromaticContact CE3-CE1 3.48Å; W167-Y180 HydrophobicContact CE3-CE1 3.48Å; W167-Y180 VanDerWaalsContact CE3-CE1 3.48Å; W167-Y180 HydrophobicContact CG-CD1 4.39Å; W167-Y180 HydrophobicContact CG-CE1 4.2Å; W167-Y180 HydrophobicContact CZ3-CD1 4.16Å; W167-Y180 HydrophobicContact CZ3-CE1 4.05Å; T169-Y180 HydrophobicContact CG2-CE1 4.16Å; T169-Y180 WeakPolarHBondContact CG2-OH 3.44Å; Y180-V203 HydrophobicContact CD2-CG1 4.47Å; Y180-V203 HydrophobicContact CE1-CG1 4.33Å; Y180-V203 HydrophobicContact CE2-CB 3.82Å; Y180-V203 HydrophobicContact CE2-CG1 3.93Å; Y180-V203 VanDerWaalsContact OH-CA 3.27Å; Y180-V203 WeakPolarHBondContact OH-CA 3.39Å; Y180-R204 PolarHBondContact OH-N 2.64Å; Y180-L207 HydrophobicContact CE2-CB 4Å; Y180-S211 WeakPolarHBondContact CA-OG 3.3Å; Y180-S211 PolarHBondContact N-OG 3.39Å; Y180-S211 PolarHBondContact O-OG 2.73Å; Y180-L215 HydrophobicContact CD2-CD1 4.36Å; Y180-L215 HydrophobicContact CD2-CD2 4.38Å; Y180-L215 HydrophobicContact CG-CD2 4.38Å
181S98.4Very high94.8Very high46 Ų4674.4 Ų74.432%0.32237%0.366SS..  trans-80.1166.7178.8730000112.5G179 T183 M184 V185G179-S181 PolarHBondContact O-N 3.06Å; S181-T183 VanDerWaalsContact C-N 3.25Å; S181-T183 PolarHBondContact O-N 2.97Å; S181-T183 PolarHBondContact OG-N 3.19Å; S181-M184 PolarHBondContact N-SD 2.88Å; S181-M184 VanDerWaalsContact N-SD 3.38Å; S181-M184 PolarHBondContact O-N 2.89Å; S181-M184 WeakPolarHBondContact OG-CG 3.33Å; S181-M184 PolarHBondContact OG-N 2.75Å; S181-V185 PolarHBondContact O-N 3.11Å; S181-V185 VanDerWaalsContact O-N 3.16Å
182W98.7Very high95.1Very high109 Ų10972.2 Ų72.241%0.41336%0.358SS..Hα-helixtrans-58.2-37.9172.4-80.9114.8000113V185 K186 Q214 W217W182-V185 HydrophobicContact CE3-CG2 4.03Å; W182-V185 WeakPolarHBondContact O-CG2 3.15Å; W182-K186 WeakPolarHBondContact O-CB 3.35Å; W182-K186 VanDerWaalsContact O-CG 3.23Å; W182-K186 WeakPolarHBondContact O-CG 3.04Å; W182-K186 PolarHBondContact O-N 3.02Å; W182-K186 VanDerWaalsContact O-N 3.13Å; W182-Q214 HydrophobicContact CD2-CG 3.74Å; W182-Q214 HydrophobicContact CE3-CG 4.06Å; W182-Q214 HydrophobicContact CG-CG 4.02Å; W182-Q214 HydrophobicContact CZ2-CG 4.33Å; W182-Q214 HydrophobicContact CZ3-CG 4.48Å; W182-W217 HydrophobicContact CH2-CB 3.72Å; W182-W217 HydrophobicContact CH2-CG 4.04Å; W182-W217 HydrophobicContact CZ3-CB 3.56Å; W182-W217 AromaticContact CZ3-CD2 3.81Å; W182-W217 HydrophobicContact CZ3-CD2 3.81Å; W182-W217 HydrophobicContact CZ3-CE3 4.14Å; W182-W217 AromaticContact CZ3-CG 3.55Å; W182-W217 HydrophobicContact CZ3-CG 3.55Å
183T98.6Very high95.4Very high104 Ų10472.6 Ų72.664%0.63836%0.362SS*.Hα-helixtrans-62.9-47.1177.1-54.20000110.3S181 V185 K186 E187S181-T183 VanDerWaalsContact C-N 3.25Å; S181-T183 PolarHBondContact O-N 2.97Å; S181-T183 PolarHBondContact OG-N 3.19Å; T183-V185 PolarHBondContact O-N 2.78Å; T183-K186 PolarHBondContact O-N 3.47Å; T183-E187 WeakPolarHBondContact O-CB 3.49Å; T183-E187 PolarHBondContact O-N 3.02Å
184M98.7Very high95.6Very high40 Ų4075.7 Ų75.720%0.19737%0.367CS..Hα-helixtrans-59.8-47-179.1-71.5162.7175.400112.6P138 W167 S181 M188P138-M184 HydrophobicContact CG-CE 4.26Å; P138-M184 HydrophobicContact CG-SD 3.86Å; W167-M184 PolarHBondContact NE1-O 3.37Å; S181-M184 PolarHBondContact N-SD 2.88Å; S181-M184 VanDerWaalsContact N-SD 3.38Å; S181-M184 PolarHBondContact O-N 2.89Å; S181-M184 WeakPolarHBondContact OG-CG 3.33Å; S181-M184 PolarHBondContact OG-N 2.75Å; M184-M188 PolarHBondContact O-N 3.34Å; M184-M188 VanDerWaalsContact O-N 3.12Å
185V98.8Very high96.1Very high0 Ų067.6 Ų67.60%033%0.33CS..Hα-helixtrans-72.2-31.6-178.9-60.90000112.9W167 S181 W182 T183 E189 Q214 L215 W217 L218W167-V185 HydrophobicContact CZ2-CG1 4.48Å; S181-V185 PolarHBondContact O-N 3.11Å; S181-V185 VanDerWaalsContact O-N 3.16Å; W182-V185 HydrophobicContact CE3-CG2 4.03Å; W182-V185 WeakPolarHBondContact O-CG2 3.15Å; T183-V185 PolarHBondContact O-N 2.78Å; V185-E189 WeakPolarHBondContact O-CB 3.4Å; V185-E189 PolarHBondContact O-N 3.5Å; V185-Q214 HydrophobicContact CG1-CB 3.87Å; V185-Q214 HydrophobicContact CG2-CB 3.87Å; V185-Q214 HydrophobicContact CG2-CG 4.39Å; V185-L215 HydrophobicContact CG1-CD2 4.22Å; V185-W217 HydrophobicContact CG2-CE3 3.91Å; V185-W217 HydrophobicContact CG2-CZ3 4.12Å; V185-L218 HydrophobicContact CB-CB 4.33Å; V185-L218 HydrophobicContact CB-CD2 4.33Å; V185-L218 HydrophobicContact CG1-CD2 4.39Å
186K98.9Very high96.5Very high112 Ų11264 Ų6449%0.48732%0.322SS..Hα-helixtrans-71.3-36.8175.8-75.4175.9178-176.50112.2W182 T183 E189 Y190 W217W182-K186 WeakPolarHBondContact O-CB 3.35Å; W182-K186 VanDerWaalsContact O-CG 3.23Å; W182-K186 WeakPolarHBondContact O-CG 3.04Å; W182-K186 PolarHBondContact O-N 3.02Å; W182-K186 VanDerWaalsContact O-N 3.13Å; T183-K186 PolarHBondContact O-N 3.47Å; K186-E189 PolarHBondContact O-N 2.82Å; K186-Y190 WeakPolarHBondContact O-CB 3.29Å; K186-Y190 PolarHBondContact O-N 2.92Å; K186-W217 HydrophobicContact CB-CH2 4.42Å; K186-W217 HydrophobicContact CG-CH2 3.62Å; K186-W217 HydrophobicContact CG-CZ2 4.31Å; K186-W217 HydrophobicContact CG-CZ3 3.78Å
187E98.8Very high97.2Very high89 Ų8958.4 Ų58.442%0.41629%0.288SS..Hα-helixtrans-66.4-42.4175-171.4173.2-171.400111.4L135 T183 Y190 I191L135-E187 HydrophobicContact CD1-CB 4.15Å; L135-E187 HydrophobicContact CD1-CG 3.92Å; L135-E187 HydrophobicContact CD2-CG 3.89Å; T183-E187 WeakPolarHBondContact O-CB 3.49Å; T183-E187 PolarHBondContact O-N 3.02Å; E187-Y190 PolarHBondContact O-N 3.21Å; E187-I191 WeakPolarHBondContact O-CG1 3.29Å; E187-I191 PolarHBondContact O-N 3.2Å
188M98.8Very high97.6Very high0 Ų058.3 Ų58.30%029%0.289CS..Hα-helixtrans-61.9-43.8173.4-176.163.98100112.1I134 L135 L165 G166 W167 M184 Y190 I191 C192 F201 L218I134-M188 HydrophobicContact CD1-SD 4.12Å; I134-M188 HydrophobicContact CG1-CE 4.2Å; I134-M188 HydrophobicContact CG1-SD 4.44Å; L135-M188 HydrophobicContact CD1-CB 3.91Å; L135-M188 HydrophobicContact CD1-CE 4.03Å; L135-M188 HydrophobicContact CD1-SD 4.25Å; L165-M188 HydrophobicContact CB-CE 4.24Å; L165-M188 HydrophobicContact CB-SD 3.97Å; L165-M188 WeakPolarHBondContact O-CE 3.49Å; G166-M188 WeakPolarHBondContact O-CE 3.4Å; W167-M188 HydrophobicContact CD2-CE 3.82Å; W167-M188 HydrophobicContact CE3-CE 4.06Å; W167-M188 HydrophobicContact CG-CE 4.45Å; W167-M188 HydrophobicContact CH2-CB 4.03Å; W167-M188 HydrophobicContact CH2-CE 3.98Å; W167-M188 HydrophobicContact CH2-CG 3.87Å; W167-M188 HydrophobicContact CZ2-CB 3.35Å; W167-M188 HydrophobicContact CZ2-CE 3.74Å; W167-M188 HydrophobicContact CZ2-CG 3.68Å; W167-M188 HydrophobicContact CZ3-CE 4.14Å; M184-M188 PolarHBondContact O-N 3.34Å; M184-M188 VanDerWaalsContact O-N 3.12Å; M188-Y190 PolarHBondContact O-N 3.42Å; M188-I191 PolarHBondContact O-N 2.99Å; M188-C192 WeakPolarHBondContact O-CB 3.48Å; M188-C192 PolarHBondContact O-N 3.17Å; M188-C192 PolarHBondContact O-SG 3.05Å; M188-F201 HydrophobicContact CG-CD1 3.68Å; M188-F201 HydrophobicContact CG-CE1 3.43Å; M188-F201 VanDerWaalsContact CG-CE1 3.43Å; M188-F201 HydrophobicContact CG-CZ 4.3Å; M188-F201 HydrophobicContact SD-CD1 4.12Å; M188-F201 HydrophobicContact SD-CE1 3.99Å; M188-L218 HydrophobicContact CG-CD2 4.5Å
189E98.7Very high97.8Very high40 Ų4051.9 Ų51.919%0.18726%0.259CS..Hα-helixtrans-58.7-46.6174.9-174.1-75.6145.200111.8V185 K186 I191 C192 N193 W217 L218 Q221V185-E189 WeakPolarHBondContact O-CB 3.4Å; V185-E189 PolarHBondContact O-N 3.5Å; K186-E189 PolarHBondContact O-N 2.82Å; E189-I191 VanDerWaalsContact C-N 3.26Å; E189-I191 PolarHBondContact O-N 3.42Å; E189-C192 PolarHBondContact O-N 3.29Å; E189-N193 WeakPolarHBondContact O-CB 3.37Å; E189-N193 PolarHBondContact O-N 3.21Å; E189-N193 VanDerWaalsContact OE1-CB 3.31Å; E189-N193 WeakPolarHBondContact OE1-CB 3.25Å; E189-N193 PolarHBondContact OE1-ND2 3.5Å; E189-W217 HydrophobicContact CB-CH2 4.05Å; E189-W217 HydrophobicContact CB-CZ3 4.06Å; E189-W217 HydrophobicContact CG-CH2 3.94Å; E189-W217 HydrophobicContact CG-CZ3 4.29Å; E189-L218 HydrophobicContact CB-CD1 3.8Å; E189-L218 HydrophobicContact CG-CD1 4.42Å; E189-Q221 HydrophobicContact CG-CB 4.03Å; E189-Q221 HydrophobicContact CG-CG 3.77Å
190Y98.6Very high97.9Very high160 Ų16051.3 Ų51.363%0.62725%0.253SS*.Hα-helixtrans-56.4-41179176-96000112.1K186 E187 M188 N193K186-Y190 WeakPolarHBondContact O-CB 3.29Å; K186-Y190 PolarHBondContact O-N 2.92Å; E187-Y190 PolarHBondContact O-N 3.21Å; M188-Y190 PolarHBondContact O-N 3.42Å; Y190-N193 PolarHBondContact O-OD1 2.77Å
191I98.4Very high98Very high34 Ų3451.3 Ų51.317%0.17425%0.253CS..Hα-helixtrans-70.3-43.1175.7-65171.5000111.2I134 L135 A147 L151 E187 M188 E189I134-I191 HydrophobicContact CD1-CD1 4.28Å; I134-I191 HydrophobicContact CD1-CG2 4.04Å; L135-I191 HydrophobicContact CD1-CD1 4.09Å; L135-I191 HydrophobicContact CD2-CD1 3.88Å; L135-I191 HydrophobicContact CG-CD1 4.1Å; A147-I191 HydrophobicContact CB-CD1 4.17Å; A147-I191 HydrophobicContact CB-CG2 4.47Å; L151-I191 HydrophobicContact CD1-CG2 3.58Å; E187-I191 WeakPolarHBondContact O-CG1 3.29Å; E187-I191 PolarHBondContact O-N 3.2Å; M188-I191 PolarHBondContact O-N 2.99Å; E189-I191 VanDerWaalsContact C-N 3.26Å; E189-I191 PolarHBondContact O-N 3.42Å
192C98.3Very high98Very high0 Ų049.3 Ų49.30%024%0.239CC..Hα-helixtrans-83.6-14.3-169.8-640000114.3M188 E189 E194 L195 F201 Y225M188-C192 WeakPolarHBondContact O-CB 3.48Å; M188-C192 PolarHBondContact O-N 3.17Å; M188-C192 PolarHBondContact O-SG 3.05Å; E189-C192 PolarHBondContact O-N 3.29Å; C192-E194 VanDerWaalsContact C-N 3.29Å; C192-E194 PolarHBondContact O-N 2.94Å; C192-L195 HydrophobicContact CB-CD1 4.44Å; C192-L195 WeakPolarHBondContact O-CB 3.47Å; C192-L195 PolarHBondContact O-N 3.45Å; C192-F201 HydrophobicContact CB-CE1 4.47Å; C192-F201 HydrophobicContact CB-CZ 4.49Å; C192-Y225 HydrophobicContact CB-CE1 4.02Å; C192-Y225 WeakPolarHBondContact CB-OH 3.39Å; C192-Y225 PolarHBondContact O-OH 2.97Å
193N96.7Very high98Very high69 Ų6944.1 Ų44.137%0.36922%0.219SC..SBendtrans-70.6-27.4-176.170.225.6000112.5E189 Y190 L195 Y225E189-N193 WeakPolarHBondContact O-CB 3.37Å; E189-N193 PolarHBondContact O-N 3.21Å; E189-N193 VanDerWaalsContact OE1-CB 3.31Å; E189-N193 WeakPolarHBondContact OE1-CB 3.25Å; E189-N193 PolarHBondContact OE1-ND2 3.5Å; Y190-N193 PolarHBondContact O-OD1 2.77Å; N193-L195 VanDerWaalsContact C-N 3.33Å; N193-Y225 PolarHBondContact N-OH 3.04Å
194E93.1Very high97.9Very high163 Ų16340.5 Ų40.576%0.76219%0.194SC*.SBendtrans-77.4-21.1176.5-58-164.8153.300112.5C192C192-E194 VanDerWaalsContact C-N 3.29Å; C192-E194 PolarHBondContact O-N 2.94Å
195L96.3Very high97.9Very high20 Ų2038.6 Ų38.611%0.10518%0.184CC..  trans-69147.8179-60.1178.1000110.8L151 F163 L165 C192 N193 V199 R224L151-L195 HydrophobicContact CD1-CD2 4.37Å; L151-L195 HydrophobicContact CD2-CD1 4.1Å; L151-L195 HydrophobicContact CD2-CD2 4.3Å; F163-L195 HydrophobicContact CD2-CD1 3.99Å; F163-L195 HydrophobicContact CE2-CD1 4.35Å; F163-L195 HydrophobicContact CE2-CD2 4.24Å; L165-L195 HydrophobicContact CD1-CD1 3.88Å; C192-L195 HydrophobicContact CB-CD1 4.44Å; C192-L195 WeakPolarHBondContact O-CB 3.47Å; C192-L195 PolarHBondContact O-N 3.45Å; N193-L195 VanDerWaalsContact C-N 3.33Å; L195-V199 HydrophobicContact CD1-CG2 4.02Å; L195-R224 PolarHBondContact O-NH1 3.32Å; L195-R224 PolarHBondContact O-NH2 3.36Å
196S95.2Very high97.8Very high61 Ų6139 Ų3943%0.42719%0.188SC..  trans-97.9-24.5171.666.40000112.3A3 R224A3-S196 WeakPolarHBondContact CB-O 3.45Å; S196-R224 WeakPolarHBondContact O-CD 3.4Å
197Q97.6Very high97.7Very high7 Ų733.7 Ų33.73%0.03317%0.165CC..SBendtrans-67.3155.2-175.2-65.891.6-34.300113T155 P159 V161 F163 R224T155-Q197 PolarHBondContact OG1-NE2 2.82Å; P159-Q197 WeakPolarHBondContact O-CG 3.45Å; V161-Q197 HydrophobicContact CG1-CG 4.45Å; V161-Q197 WeakPolarHBondContact O-CB 3.48Å; V161-Q197 WeakPolarHBondContact O-CG 3.47Å; F163-Q197 HydrophobicContact CD2-CB 3.8Å; F163-Q197 HydrophobicContact CD2-CG 4.08Å; F163-Q197 HydrophobicContact CE2-CB 4.19Å; F163-Q197 HydrophobicContact CE2-CG 3.95Å; Q197-R224 PolarHBondContact O-NH1 3.16Å
198P98.3Very high97.5Very high23 Ų2329.5 Ų29.515%0.14915%0.145CC..  trans-55.9140.7161.4-2234.3000110.9T162 F163T162-P198 HydrophobicContact CG2-CB 4.14Å; F163-P198 PolarHBondContact N-O 3.31Å
199V98.8Very high97.4Very high0 Ų034.2 Ų34.20%016%0.163CC..EExtended strand (participates in β ladder)trans-129.5125.7177.8-170.40000109F163 L165 L195 F201 R224 Y225 S226F163-V199 HydrophobicContact CB-CG1 4.39Å; F163-V199 HydrophobicContact CB-CG2 4.4Å; F163-V199 CarbonylContact O-C 3.48Å; F163-V199 WeakPolarHBondContact O-CA 3.34Å; L165-V199 HydrophobicContact CB-CG1 4.34Å; L165-V199 HydrophobicContact CD1-CG1 3.99Å; L165-V199 HydrophobicContact CG-CG1 4.12Å; L195-V199 HydrophobicContact CD1-CG2 4.02Å; V199-F201 HydrophobicContact CB-CE1 4.47Å; V199-F201 HydrophobicContact CB-CZ 4.43Å; V199-F201 HydrophobicContact CG1-CD1 4.07Å; V199-F201 HydrophobicContact CG1-CE1 3.55Å; V199-F201 HydrophobicContact CG1-CZ 3.97Å; V199-R224 PolarHBondContact N-O 2.66Å; V199-Y225 HydrophobicContact CB-CD1 3.83Å; V199-Y225 HydrophobicContact CB-CE1 3.99Å; V199-Y225 HydrophobicContact CG2-CD1 4.25Å; V199-Y225 HydrophobicContact CG2-CE1 3.95Å; V199-Y225 CarbonylContact O-C 3.57Å; V199-Y225 VanDerWaalsContact O-CA 3.27Å; V199-Y225 WeakPolarHBondContact O-CA 3.12Å; V199-S226 PolarHBondContact O-N 2.82Å; V199-S226 PolarHBondContact O-OG 3.24Å
200T98.8Very high97.2Very high0 Ų037.1 Ų37.10%018%0.177CC..EExtended strand (participates in β ladder)trans-104145.3164.3-163.20000109.5W129 F163 S164 L165 P202 S226 L227 T228W129-T200 HydrophobicContact CE3-CG2 3.72Å; W129-T200 HydrophobicContact CH2-CG2 4.22Å; W129-T200 HydrophobicContact CZ3-CG2 3.55Å; F163-T200 PolarHBondContact O-N 3.34Å; S164-T200 CarbonylContact C-O 3.52Å; S164-T200 VanDerWaalsContact CA-O 3.29Å; S164-T200 WeakPolarHBondContact CA-O 3.5Å; S164-T200 VanDerWaalsContact CB-CG2 3.5Å; S164-T200 WeakPolarHBondContact OG-CG2 3.32Å; L165-T200 PolarHBondContact N-O 2.89Å; T200-P202 WeakPolarHBondContact O-CD 3.2Å; T200-S226 CarbonylContact C-O 3.54Å; T200-S226 WeakPolarHBondContact CA-O 3.26Å; T200-S226 VanDerWaalsContact CA-OG 3.32Å; T200-S226 WeakPolarHBondContact CA-OG 3.07Å; T200-S226 WeakPolarHBondContact CB-OG 3.46Å; T200-S226 PolarHBondContact OG1-OG 3.45Å; T200-L227 VanDerWaalsContact OG1-C 3.31Å; T200-T228 PolarHBondContact OG1-N 3.31Å; T200-T228 PolarHBondContact OG1-OG1 2.97Å
201F98.9Very high97.2Very high0 Ų029.6 Ų29.60%015%0.147CC..EExtended strand (participates in β ladder)trans-108.4108.4176.3-51.6-68.2000109.5W167 M188 C192 V199 V203 L218 L219 Y225 S226 L227 T228W167-F201 HydrophobicContact CH2-CB 4.38Å; W167-F201 HydrophobicContact CZ3-CB 4.05Å; M188-F201 HydrophobicContact CG-CD1 3.68Å; M188-F201 HydrophobicContact CG-CE1 3.43Å; M188-F201 VanDerWaalsContact CG-CE1 3.43Å; M188-F201 HydrophobicContact CG-CZ 4.3Å; M188-F201 HydrophobicContact SD-CD1 4.12Å; M188-F201 HydrophobicContact SD-CE1 3.99Å; C192-F201 HydrophobicContact CB-CE1 4.47Å; C192-F201 HydrophobicContact CB-CZ 4.49Å; V199-F201 HydrophobicContact CB-CE1 4.47Å; V199-F201 HydrophobicContact CB-CZ 4.43Å; V199-F201 HydrophobicContact CG1-CD1 4.07Å; V199-F201 HydrophobicContact CG1-CE1 3.55Å; V199-F201 HydrophobicContact CG1-CZ 3.97Å; F201-V203 PolarHBondContact O-N 2.88Å; F201-L218 HydrophobicContact CD1-CD2 4.29Å; F201-L218 HydrophobicContact CD2-CD2 3.55Å; F201-L218 HydrophobicContact CD2-CG 3.97Å; F201-L218 HydrophobicContact CE1-CD2 4.34Å; F201-L218 HydrophobicContact CE2-CD1 4.05Å; F201-L218 HydrophobicContact CE2-CD2 3.59Å; F201-L218 HydrophobicContact CE2-CG 3.56Å; F201-L218 HydrophobicContact CG-CD2 3.91Å; F201-L218 HydrophobicContact CZ-CD1 4.05Å; F201-L218 HydrophobicContact CZ-CD2 4.01Å; F201-L218 HydrophobicContact CZ-CG 4.06Å; F201-L219 HydrophobicContact CD2-CD2 4.06Å; F201-L219 HydrophobicContact CE2-CD2 4.23Å; F201-Y225 HydrophobicContact CE2-CD1 4.16Å; F201-Y225 AromaticContact CE2-CD2 3.76Å; F201-Y225 HydrophobicContact CE2-CD2 3.76Å; F201-Y225 HydrophobicContact CE2-CE2 4.42Å; F201-Y225 AromaticContact CE2-CG 3.62Å; F201-Y225 HydrophobicContact CE2-CG 3.62Å; F201-Y225 AromaticContact CZ-CD1 3.96Å; F201-Y225 HydrophobicContact CZ-CD1 3.96Å; F201-Y225 AromaticContact CZ-CD2 3.86Å; F201-Y225 HydrophobicContact CZ-CD2 3.86Å; F201-Y225 HydrophobicContact CZ-CE1 4.17Å; F201-Y225 HydrophobicContact CZ-CE2 4.08Å; F201-Y225 AromaticContact CZ-CG 3.81Å; F201-Y225 HydrophobicContact CZ-CG 3.81Å; F201-S226 VanDerWaalsContact CD2-O 3.31Å; F201-S226 WeakPolarHBondContact CD2-O 3.42Å; F201-S226 PolarHBondContact N-O 2.7Å; F201-L227 HydrophobicContact CB-CD2 3.9Å; F201-L227 HydrophobicContact CD2-CD2 4.17Å; F201-L227 WeakPolarHBondContact O-CA 3.18Å; F201-T228 PolarHBondContact O-N 3.34Å
202P98.6Very high97.2Very high4 Ų428.3 Ų28.33%0.02614%0.141CC..EExtended strand (participates in β ladder)trans-61.7117.6170-22.733.9000110.9N131 S164 L165 T200 T228N131-P202 VanDerWaalsContact OD1-CG 3.25Å; N131-P202 WeakPolarHBondContact OD1-CG 3.2Å; S164-P202 WeakPolarHBondContact OG-CG 3.18Å; L165-P202 VanDerWaalsContact O-CD 3.3Å; L165-P202 WeakPolarHBondContact O-CD 3.37Å; T200-P202 WeakPolarHBondContact O-CD 3.2Å; P202-T228 CarbonylContact C-O 3.58Å; P202-T228 VanDerWaalsContact CA-O 3.23Å; P202-T228 WeakPolarHBondContact CA-O 3.34Å
203V98.6Very high97.2Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-124.6135.6177-65.10000110.8W167 Y180 F201 V208 L215 L227 T228 I229 W230W167-V203 HydrophobicContact CZ3-CG1 4.08Å; Y180-V203 HydrophobicContact CD2-CG1 4.47Å; Y180-V203 HydrophobicContact CE1-CG1 4.33Å; Y180-V203 HydrophobicContact CE2-CB 3.82Å; Y180-V203 HydrophobicContact CE2-CG1 3.93Å; Y180-V203 VanDerWaalsContact OH-CA 3.27Å; Y180-V203 WeakPolarHBondContact OH-CA 3.39Å; F201-V203 PolarHBondContact O-N 2.88Å; V203-V208 HydrophobicContact CB-CG1 4.06Å; V203-V208 HydrophobicContact CG2-CG1 3.65Å; V203-L215 HydrophobicContact CB-CD1 4.44Å; V203-L215 HydrophobicContact CG1-CD1 4.18Å; V203-L215 HydrophobicContact CG1-CD2 3.79Å; V203-L215 HydrophobicContact CG2-CD1 4.36Å; V203-L227 HydrophobicContact CG1-CD2 4.28Å; V203-L227 HydrophobicContact CG2-CB 4.43Å; V203-L227 HydrophobicContact CG2-CD2 4.46Å; V203-T228 PolarHBondContact N-O 2.97Å; V203-I229 HydrophobicContact CG2-CG1 4.08Å; V203-I229 CarbonylContact O-C 3.53Å; V203-I229 VanDerWaalsContact O-CA 3.27Å; V203-I229 WeakPolarHBondContact O-CA 3.36Å; V203-W230 VanDerWaalsContact C-CD1 3.46Å; V203-W230 VanDerWaalsContact O-CD1 3.27Å; V203-W230 PolarHBondContact O-N 3.35Å
204R97.9Very high97.3Very high29 Ų2930.3 Ų30.311%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-76.2127.6-175.8-174.5-176.4-69.9-1315.4110.5T169 Y180 A206 L207 V208 W230 D235T169-R204 PolarHBondContact O-NH2 3.28Å; T169-R204 PolarHBondContact OG1-NE 2.81Å; T169-R204 PolarHBondContact OG1-NH2 2.9Å; Y180-R204 PolarHBondContact OH-N 2.64Å; R204-A206 PolarHBondContact O-N 3.33Å; R204-A206 VanDerWaalsContact O-N 3.13Å; R204-L207 HydrophobicContact CB-CD1 4.01Å; R204-L207 HydrophobicContact CB-CG 4.08Å; R204-L207 HydrophobicContact CG-CG 4.35Å; R204-L207 PolarHBondContact O-N 3.36Å; R204-V208 WeakPolarHBondContact O-CG1 3.45Å; R204-V208 PolarHBondContact O-N 3.44Å; R204-W230 CarbonylContact C-O 3.33Å; R204-W230 WeakPolarHBondContact CA-O 3.3Å; R204-W230 HydrophobicContact CB-CZ2 4.22Å; R204-W230 HydrophobicContact CG-CZ2 4.5Å; R204-W230 VanDerWaalsContact NH2-CH2 3.26Å; R204-D235 WeakPolarHBondContact CD-OD2 3.48Å; R204-D235 WeakPolarHBondContact CG-OD2 3.06Å; R204-D235 IonicContact CZ-OD1 2.77Å; R204-D235 IonicContact CZ-OD2 2.66Å; R204-D235 IonicContact NE-OD2 3.02Å; R204-D235 IonicContact NH1-OD1 3.91Å; R204-D235 PolarHBondContact NH1-OD1 2.92Å; R204-D235 IonicContact NH1-OD2 4Å; R204-D235 PolarHBondContact NH1-OD2 3.11Å
205A97.8Very high97.5Very high0 Ų022.5 Ų22.50%012%0.121CC..G310 helixtrans-50.9-39.6-176.900000113.2L207 V208 I229 W230 Y237 L242 I258A205-L207 PolarHBondContact O-N 3.31Å; A205-L207 VanDerWaalsContact O-N 3.15Å; A205-V208 WeakPolarHBondContact O-CG2 3.47Å; A205-I229 HydrophobicContact CB-CG2 3.74Å; A205-W230 PolarHBondContact N-O 3.07Å; A205-Y237 HydrophobicContact CB-CD1 4.02Å; A205-Y237 HydrophobicContact CB-CD2 3.85Å; A205-Y237 HydrophobicContact CB-CE1 4.24Å; A205-Y237 HydrophobicContact CB-CE2 4.04Å; A205-Y237 HydrophobicContact CB-CG 3.84Å; A205-L242 HydrophobicContact CB-CD2 4.25Å; A205-I258 HydrophobicContact CB-CD1 3.97Å
206A96.7Very high97.6Very high9 Ų923.8 Ų23.87%0.07413%0.127CC..G310 helixtrans-68.6-10.4179.100000115.4W171 R204 D235W171-A206 HydrophobicContact CG-CB 4.19Å; R204-A206 PolarHBondContact O-N 3.33Å; R204-A206 VanDerWaalsContact O-N 3.13Å; A206-D235 HydrophobicContact CB-CB 4.26Å
207L96.9Very high97.8Very high0 Ų024.2 Ų24.20%012%0.12CC..G310 helixtrans-117.9-7.5-172.5-50.1-176.6000113.3P138 T169 N177 Y180 R204 A205 Q210P138-L207 HydrophobicContact CB-CD1 4.1Å; P138-L207 HydrophobicContact CG-CD1 4.33Å; T169-L207 HydrophobicContact CG2-CD1 4.1Å; N177-L207 HydrophobicContact CB-CD2 3.67Å; Y180-L207 HydrophobicContact CE2-CB 4Å; R204-L207 HydrophobicContact CB-CD1 4.01Å; R204-L207 HydrophobicContact CB-CG 4.08Å; R204-L207 HydrophobicContact CG-CG 4.35Å; R204-L207 PolarHBondContact O-N 3.36Å; A205-L207 PolarHBondContact O-N 3.31Å; A205-L207 VanDerWaalsContact O-N 3.15Å; L207-Q210 PolarHBondContact O-OE1 3.25Å
208V95.9Very high97.9Very high1 Ų123.9 Ų23.91%0.00612%0.118CC..SBendtrans-72.7-33.6-172-60.80000112.5V203 R204 A205 Q210 S211 C212 L215 I229 I245V203-V208 HydrophobicContact CB-CG1 4.06Å; V203-V208 HydrophobicContact CG2-CG1 3.65Å; R204-V208 WeakPolarHBondContact O-CG1 3.45Å; R204-V208 PolarHBondContact O-N 3.44Å; A205-V208 WeakPolarHBondContact O-CG2 3.47Å; V208-Q210 VanDerWaalsContact C-N 3.31Å; V208-Q210 PolarHBondContact O-N 2.76Å; V208-S211 CarbonylContact O-C 3.31Å; V208-S211 PolarHBondContact O-N 3.42Å; V208-C212 PolarHBondContact O-N 2.9Å; V208-L215 HydrophobicContact CB-CD1 4.44Å; V208-L215 HydrophobicContact CG1-CD1 4.42Å; V208-I229 HydrophobicContact CG1-CG2 4.33Å; V208-I245 HydrophobicContact CB-CD1 3.91Å; V208-I245 HydrophobicContact CB-CG1 3.88Å; V208-I245 HydrophobicContact CG2-CD1 3.98Å; V208-I245 HydrophobicContact CG2-CG1 3.47Å; V208-I245 VanDerWaalsContact CG2-CG1 3.47Å
209R95.4Very high97.9Very high98 Ų9823.2 Ų23.237%0.3711%0.113SC..G310 helixtrans-59.6-43.2-174.5179.865.4-169.2-143.59.7111.8S211 D241 Y244R209-S211 PolarHBondContact O-N 3.01Å; R209-D241 HydrophobicContact CB-CB 4.3Å; R209-D241 WeakPolarHBondContact CB-OD1 3.37Å; R209-D241 WeakPolarHBondContact CD-OD1 3.31Å; R209-D241 VanDerWaalsContact CG-OD1 3.24Å; R209-D241 WeakPolarHBondContact CG-OD1 3.4Å; R209-Y244 VanDerWaalsContact CZ-CG 3.43Å; R209-Y244 VanDerWaalsContact NH2-CE2 3.32Å
210Q95.1Very high97.8Very high102 Ų10230.3 Ų30.348%0.47714%0.144SC..G310 helixtrans-73.4-15.4-178.1-53.578.611.800112.1L207 V208L207-Q210 PolarHBondContact O-OE1 3.25Å; V208-Q210 VanDerWaalsContact C-N 3.31Å; V208-Q210 PolarHBondContact O-N 2.76Å
211S97.8Very high97.8Very high2 Ų234 Ų341%0.01416%0.162CC..G310 helixtrans-118.312.2-170.8-67.60000115.2G179 Y180 V208 R209 S213 Q214 L215G179-S211 WeakPolarHBondContact CA-OG 3.48Å; Y180-S211 WeakPolarHBondContact CA-OG 3.3Å; Y180-S211 PolarHBondContact N-OG 3.39Å; Y180-S211 PolarHBondContact O-OG 2.73Å; V208-S211 CarbonylContact O-C 3.31Å; V208-S211 PolarHBondContact O-N 3.42Å; R209-S211 PolarHBondContact O-N 3.01Å; S211-S213 PolarHBondContact O-N 3.29Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S211-Q214 VanDerWaalsContact CA-OE1 3.31Å; S211-Q214 PolarHBondContact O-N 2.78Å; S211-Q214 VanDerWaalsContact O-N 3.08Å; S211-Q214 PolarHBondContact O-OE1 2.86Å; S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.84Å
212C97.8Very high97.7Very high7 Ų735 Ų355%0.04717%0.169CC..Hα-helixtrans-52.4-41.4-177.3178.70000112.8V208 L216 Y244 I245V208-C212 PolarHBondContact O-N 2.9Å; C212-L216 WeakPolarHBondContact O-CB 3.47Å; C212-L216 PolarHBondContact O-N 2.85Å; C212-Y244 HydrophobicContact CB-CD1 4.44Å; C212-Y244 HydrophobicContact CB-CE1 3.65Å; C212-I245 HydrophobicContact CB-CD1 4.21Å
213S98.4Very high97.6Very high80 Ų8039.9 Ų39.956%0.55920%0.203SC*.Hα-helixtrans-67.6-41179.9-67.50000112.6S211 W217S211-S213 PolarHBondContact O-N 3.29Å; S211-S213 VanDerWaalsContact O-N 3.15Å; S213-W217 WeakPolarHBondContact O-CB 3.27Å; S213-W217 PolarHBondContact O-N 3.41Å
214Q98.8Very high97.5Very high30 Ų3041.4 Ų41.414%0.1421%0.208CC..Hα-helixtrans-67-47.5179.7-68.976.16.500110.7W182 V185 S211 W217 L218W182-Q214 HydrophobicContact CD2-CG 3.74Å; W182-Q214 HydrophobicContact CE3-CG 4.06Å; W182-Q214 HydrophobicContact CG-CG 4.02Å; W182-Q214 HydrophobicContact CZ2-CG 4.33Å; W182-Q214 HydrophobicContact CZ3-CG 4.48Å; V185-Q214 HydrophobicContact CG1-CB 3.87Å; V185-Q214 HydrophobicContact CG2-CB 3.87Å; V185-Q214 HydrophobicContact CG2-CG 4.39Å; S211-Q214 VanDerWaalsContact CA-OE1 3.31Å; S211-Q214 PolarHBondContact O-N 2.78Å; S211-Q214 VanDerWaalsContact O-N 3.08Å; S211-Q214 PolarHBondContact O-OE1 2.86Å; Q214-W217 PolarHBondContact O-N 3.25Å; Q214-L218 PolarHBondContact O-N 2.94Å
215L98.8Very high97.5Very high0 Ų040.2 Ų40.20%020%0.204CC..Hα-helixtrans-67.9-37.9179.4-64.5177.2000111.9Y180 V185 V203 V208 S211 L218 L219 L227 F249Y180-L215 HydrophobicContact CD2-CD1 4.36Å; Y180-L215 HydrophobicContact CD2-CD2 4.38Å; Y180-L215 HydrophobicContact CG-CD2 4.38Å; V185-L215 HydrophobicContact CG1-CD2 4.22Å; V203-L215 HydrophobicContact CB-CD1 4.44Å; V203-L215 HydrophobicContact CG1-CD1 4.18Å; V203-L215 HydrophobicContact CG1-CD2 3.79Å; V203-L215 HydrophobicContact CG2-CD1 4.36Å; V208-L215 HydrophobicContact CB-CD1 4.44Å; V208-L215 HydrophobicContact CG1-CD1 4.42Å; S211-L215 WeakPolarHBondContact O-CG 3.44Å; S211-L215 PolarHBondContact O-N 2.84Å; L215-L218 WeakPolarHBondContact O-CB 3.18Å; L215-L218 PolarHBondContact O-N 3.36Å; L215-L219 PolarHBondContact O-N 3.11Å; L215-L227 HydrophobicContact CB-CD1 4.22Å; L215-L227 HydrophobicContact CD1-CD1 4.44Å; L215-L227 HydrophobicContact CD2-CD2 4.39Å; L215-F249 HydrophobicContact CB-CE1 4.18Å; L215-F249 HydrophobicContact CB-CZ 3.82Å
216L98.4Very high97.6Very high46 Ų4641 Ų4124%0.24121%0.209CC..Hα-helixtrans-65.9-39.7174.8-176.565.7000111.5C212 L218 K220 F249C212-L216 WeakPolarHBondContact O-CB 3.47Å; C212-L216 PolarHBondContact O-N 2.85Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-K220 WeakPolarHBondContact O-CG 3.25Å; L216-K220 PolarHBondContact O-N 2.87Å; L216-F249 HydrophobicContact CB-CE1 4.12Å; L216-F249 HydrophobicContact CB-CE2 4.48Å; L216-F249 HydrophobicContact CB-CZ 3.86Å; L216-F249 HydrophobicContact CD1-CD1 4.27Å; L216-F249 HydrophobicContact CD1-CE1 4.2Å; L216-F249 HydrophobicContact CD1-CZ 4.47Å
217W98.8Very high97.7Very high70 Ų7040.6 Ų40.627%0.26521%0.206SC..Hα-helixtrans-61.3-43.1172.8174.188.2000111.2W182 V185 K186 E189 S213 Q214 K220 Q221W182-W217 HydrophobicContact CH2-CB 3.72Å; W182-W217 HydrophobicContact CH2-CG 4.04Å; W182-W217 HydrophobicContact CZ3-CB 3.56Å; W182-W217 AromaticContact CZ3-CD2 3.81Å; W182-W217 HydrophobicContact CZ3-CD2 3.81Å; W182-W217 HydrophobicContact CZ3-CE3 4.14Å; W182-W217 AromaticContact CZ3-CG 3.55Å; W182-W217 HydrophobicContact CZ3-CG 3.55Å; V185-W217 HydrophobicContact CG2-CE3 3.91Å; V185-W217 HydrophobicContact CG2-CZ3 4.12Å; K186-W217 HydrophobicContact CB-CH2 4.42Å; K186-W217 HydrophobicContact CG-CH2 3.62Å; K186-W217 HydrophobicContact CG-CZ2 4.31Å; K186-W217 HydrophobicContact CG-CZ3 3.78Å; E189-W217 HydrophobicContact CB-CH2 4.05Å; E189-W217 HydrophobicContact CB-CZ3 4.06Å; E189-W217 HydrophobicContact CG-CH2 3.94Å; E189-W217 HydrophobicContact CG-CZ3 4.29Å; S213-W217 WeakPolarHBondContact O-CB 3.27Å; S213-W217 PolarHBondContact O-N 3.41Å; Q214-W217 PolarHBondContact O-N 3.25Å; W217-K220 PolarHBondContact O-N 2.78Å; W217-Q221 HydrophobicContact CD2-CG 4.5Å; W217-Q221 VanDerWaalsContact CE2-NE2 3.32Å; W217-Q221 HydrophobicContact CE3-CG 4.49Å; W217-Q221 HydrophobicContact CH2-CG 4.16Å; W217-Q221 HydrophobicContact CZ2-CG 4.2Å; W217-Q221 HydrophobicContact CZ3-CG 4.32Å; W217-Q221 WeakPolarHBondContact O-CG 3.5Å; W217-Q221 PolarHBondContact O-NE2 2.99Å
218L98.8Very high97.8Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-59.4-49.5179.3-179.158.2000111.5W167 V185 M188 E189 F201 Q214 L215 L216 K220 Q221 Y225W167-L218 HydrophobicContact CH2-CD2 3.94Å; V185-L218 HydrophobicContact CB-CB 4.33Å; V185-L218 HydrophobicContact CB-CD2 4.33Å; V185-L218 HydrophobicContact CG1-CD2 4.39Å; M188-L218 HydrophobicContact CG-CD2 4.5Å; E189-L218 HydrophobicContact CB-CD1 3.8Å; E189-L218 HydrophobicContact CG-CD1 4.42Å; F201-L218 HydrophobicContact CD1-CD2 4.29Å; F201-L218 HydrophobicContact CD2-CD2 3.55Å; F201-L218 HydrophobicContact CD2-CG 3.97Å; F201-L218 HydrophobicContact CE1-CD2 4.34Å; F201-L218 HydrophobicContact CE2-CD1 4.05Å; F201-L218 HydrophobicContact CE2-CD2 3.59Å; F201-L218 HydrophobicContact CE2-CG 3.56Å; F201-L218 HydrophobicContact CG-CD2 3.91Å; F201-L218 HydrophobicContact CZ-CD1 4.05Å; F201-L218 HydrophobicContact CZ-CD2 4.01Å; F201-L218 HydrophobicContact CZ-CG 4.06Å; Q214-L218 PolarHBondContact O-N 2.94Å; L215-L218 WeakPolarHBondContact O-CB 3.18Å; L215-L218 PolarHBondContact O-N 3.36Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L218-K220 PolarHBondContact O-N 3.01Å; L218-Q221 WeakPolarHBondContact O-CB 3.07Å; L218-Q221 WeakPolarHBondContact O-CG 3.33Å; L218-Q221 PolarHBondContact O-N 3.2Å; L218-Q221 VanDerWaalsContact O-N 3.11Å; L218-Y225 HydrophobicContact CD1-CE2 4.46Å; L218-Y225 WeakPolarHBondContact O-CD2 3.48Å
219L98.3Very high97.9Very high9 Ų940.6 Ų40.65%0.04721%0.206CC..Hα-helixtrans-64.4-24.2179.2-65.1-158.7000114F201 L215 Q221 L227 F249 Q253F201-L219 HydrophobicContact CD2-CD2 4.06Å; F201-L219 HydrophobicContact CE2-CD2 4.23Å; L215-L219 PolarHBondContact O-N 3.11Å; L219-Q221 PolarHBondContact O-N 3.41Å; L219-L227 HydrophobicContact CD1-CD1 4.33Å; L219-L227 HydrophobicContact CD1-CG 3.98Å; L219-L227 HydrophobicContact CD2-CD2 3.98Å; L219-L227 HydrophobicContact CD2-CG 4Å; L219-L227 HydrophobicContact CG-CD2 4.44Å; L219-L227 HydrophobicContact CG-CG 4.16Å; L219-F249 HydrophobicContact CD1-CD1 3.6Å; L219-F249 HydrophobicContact CD1-CE1 3.96Å; L219-F249 HydrophobicContact CG-CD1 4.35Å; L219-F249 HydrophobicContact CG-CE1 4.23Å; L219-Q253 HydrophobicContact CD1-CB 4.09Å
220K97.9Very high98Very high149 Ų14938 Ų3865%0.64820%0.196SC*.THydrogen-bonded Turntrans-73.8-13.4177-75.2173.5179177.80113.7L216 W217 L218 S222L216-K220 WeakPolarHBondContact O-CG 3.25Å; L216-K220 PolarHBondContact O-N 2.87Å; W217-K220 PolarHBondContact O-N 2.78Å; L218-K220 PolarHBondContact O-N 3.01Å; K220-S222 VanDerWaalsContact C-N 3.32Å
221Q98.4Very high98.1Very high79 Ų7933.3 Ų33.337%0.36917%0.174SC..THydrogen-bonded Turntrans-74.7-25.1-177.4-54.1-51.6-57.500112.5E189 W217 L218 L219 Y225E189-Q221 HydrophobicContact CG-CB 4.03Å; E189-Q221 HydrophobicContact CG-CG 3.77Å; W217-Q221 HydrophobicContact CD2-CG 4.5Å; W217-Q221 VanDerWaalsContact CE2-NE2 3.32Å; W217-Q221 HydrophobicContact CE3-CG 4.49Å; W217-Q221 HydrophobicContact CH2-CG 4.16Å; W217-Q221 HydrophobicContact CZ2-CG 4.2Å; W217-Q221 HydrophobicContact CZ3-CG 4.32Å; W217-Q221 WeakPolarHBondContact O-CG 3.5Å; W217-Q221 PolarHBondContact O-NE2 2.99Å; L218-Q221 WeakPolarHBondContact O-CB 3.07Å; L218-Q221 WeakPolarHBondContact O-CG 3.33Å; L218-Q221 PolarHBondContact O-N 3.2Å; L218-Q221 VanDerWaalsContact O-N 3.11Å; L219-Q221 PolarHBondContact O-N 3.41Å; Q221-Y225 HydrophobicContact CB-CD2 4.4Å; Q221-Y225 HydrophobicContact CB-CE2 4.08Å
222S97.6Very high97.9Very high21 Ų2134 Ų3415%0.14718%0.182CC..  trans-158.3138-1791790000111.4K220 R224 Y225K220-S222 VanDerWaalsContact C-N 3.32Å; S222-R224 PolarHBondContact O-N 2.77Å; S222-R224 VanDerWaalsContact O-N 3.13Å; S222-R224 WeakPolarHBondContact OG-CB 2.7Å; S222-R224 PolarHBondContact OG-N 3.32Å; S222-R224 PolarHBondContact OG-NE 3.49Å; S222-Y225 WeakPolarHBondContact O-CB 3.21Å; S222-Y225 PolarHBondContact O-N 3.16Å; S222-Y225 VanDerWaalsContact O-N 3.12Å
223S95.6Very high97.5Very high106 Ų10642.8 Ų42.874%0.74122%0.22SC*.THydrogen-bonded Turntrans-66.3-10.4172.262.40000113.6Y225S223-Y225 VanDerWaalsContact C-N 3.27Å
224R96.6Very high97.2Very high31 Ų3145.7 Ų45.712%0.11723%0.229CC..THydrogen-bonded Turntrans-79.6-10.4174.8-62.5-179.2-67.3118.2-6.2113.1A3 L195 S196 Q197 V199 S222A3-R224 WeakPolarHBondContact O-CD 3.45Å; L195-R224 PolarHBondContact O-NH1 3.32Å; L195-R224 PolarHBondContact O-NH2 3.36Å; S196-R224 WeakPolarHBondContact O-CD 3.4Å; Q197-R224 PolarHBondContact O-NH1 3.16Å; V199-R224 PolarHBondContact N-O 2.66Å; S222-R224 PolarHBondContact O-N 2.77Å; S222-R224 VanDerWaalsContact O-N 3.13Å; S222-R224 WeakPolarHBondContact OG-CB 2.7Å; S222-R224 PolarHBondContact OG-N 3.32Å; S222-R224 PolarHBondContact OG-NE 3.49Å
225Y98.5Very high96.9Very high4 Ų445 Ų452%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-91.5143-172.1-67-9000112.4C192 N193 V199 F201 L218 Q221 S222 S223 Q253C192-Y225 HydrophobicContact CB-CE1 4.02Å; C192-Y225 WeakPolarHBondContact CB-OH 3.39Å; C192-Y225 PolarHBondContact O-OH 2.97Å; N193-Y225 PolarHBondContact N-OH 3.04Å; V199-Y225 HydrophobicContact CB-CD1 3.83Å; V199-Y225 HydrophobicContact CB-CE1 3.99Å; V199-Y225 HydrophobicContact CG2-CD1 4.25Å; V199-Y225 HydrophobicContact CG2-CE1 3.95Å; V199-Y225 CarbonylContact O-C 3.57Å; V199-Y225 VanDerWaalsContact O-CA 3.27Å; V199-Y225 WeakPolarHBondContact O-CA 3.12Å; F201-Y225 HydrophobicContact CE2-CD1 4.16Å; F201-Y225 AromaticContact CE2-CD2 3.76Å; F201-Y225 HydrophobicContact CE2-CD2 3.76Å; F201-Y225 HydrophobicContact CE2-CE2 4.42Å; F201-Y225 AromaticContact CE2-CG 3.62Å; F201-Y225 HydrophobicContact CE2-CG 3.62Å; F201-Y225 AromaticContact CZ-CD1 3.96Å; F201-Y225 HydrophobicContact CZ-CD1 3.96Å; F201-Y225 AromaticContact CZ-CD2 3.86Å; F201-Y225 HydrophobicContact CZ-CD2 3.86Å; F201-Y225 HydrophobicContact CZ-CE1 4.17Å; F201-Y225 HydrophobicContact CZ-CE2 4.08Å; F201-Y225 AromaticContact CZ-CG 3.81Å; F201-Y225 HydrophobicContact CZ-CG 3.81Å; L218-Y225 HydrophobicContact CD1-CE2 4.46Å; L218-Y225 WeakPolarHBondContact O-CD2 3.48Å; Q221-Y225 HydrophobicContact CB-CD2 4.4Å; Q221-Y225 HydrophobicContact CB-CE2 4.08Å; S222-Y225 WeakPolarHBondContact O-CB 3.21Å; S222-Y225 PolarHBondContact O-N 3.16Å; S222-Y225 VanDerWaalsContact O-N 3.12Å; S223-Y225 VanDerWaalsContact C-N 3.27Å; Y225-Q253 PolarHBondContact O-NE2 2.79Å
226S98.8Very high96.6Very high17 Ų1750.4 Ų50.412%0.11926%0.255CS..EExtended strand (participates in β ladder)trans-145.4170.4175.459.10000110.5V199 T200 F201 Q253V199-S226 PolarHBondContact O-N 2.82Å; V199-S226 PolarHBondContact O-OG 3.24Å; T200-S226 CarbonylContact C-O 3.54Å; T200-S226 WeakPolarHBondContact CA-O 3.26Å; T200-S226 VanDerWaalsContact CA-OG 3.32Å; T200-S226 WeakPolarHBondContact CA-OG 3.07Å; T200-S226 WeakPolarHBondContact CB-OG 3.46Å; T200-S226 PolarHBondContact OG1-OG 3.45Å; F201-S226 VanDerWaalsContact CD2-O 3.31Å; F201-S226 WeakPolarHBondContact CD2-O 3.42Å; F201-S226 PolarHBondContact N-O 2.7Å; S226-Q253 CarbonylContact C-O 3.52Å; S226-Q253 VanDerWaalsContact CA-O 3.24Å; S226-Q253 WeakPolarHBondContact CA-O 3.39Å; S226-Q253 WeakPolarHBondContact CB-O 3.31Å
227L98.7Very high96.5Very high1 Ų148.9 Ų48.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-113.4146.2171.8-62.1179.1000110.3T200 F201 V203 L215 L219 F249 Q253 V254 F255T200-L227 VanDerWaalsContact OG1-C 3.31Å; F201-L227 HydrophobicContact CB-CD2 3.9Å; F201-L227 HydrophobicContact CD2-CD2 4.17Å; F201-L227 WeakPolarHBondContact O-CA 3.18Å; V203-L227 HydrophobicContact CG1-CD2 4.28Å; V203-L227 HydrophobicContact CG2-CB 4.43Å; V203-L227 HydrophobicContact CG2-CD2 4.46Å; L215-L227 HydrophobicContact CB-CD1 4.22Å; L215-L227 HydrophobicContact CD1-CD1 4.44Å; L215-L227 HydrophobicContact CD2-CD2 4.39Å; L219-L227 HydrophobicContact CD1-CD1 4.33Å; L219-L227 HydrophobicContact CD1-CG 3.98Å; L219-L227 HydrophobicContact CD2-CD2 3.98Å; L219-L227 HydrophobicContact CD2-CG 4Å; L219-L227 HydrophobicContact CG-CD2 4.44Å; L219-L227 HydrophobicContact CG-CG 4.16Å; L227-F249 HydrophobicContact CD1-CD1 3.9Å; L227-F249 HydrophobicContact CD1-CE1 3.54Å; L227-F249 HydrophobicContact CD1-CZ 4.08Å; L227-Q253 PolarHBondContact N-O 3.03Å; L227-V254 HydrophobicContact CB-CG1 4.37Å; L227-V254 HydrophobicContact CB-CG2 4.47Å; L227-V254 WeakPolarHBondContact O-CA 3.42Å; L227-F255 WeakPolarHBondContact O-CD2 3.24Å; L227-F255 PolarHBondContact O-N 2.91Å
228T98.7Very high96.3Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-119.3105.4163.6-60.20000107.8W129 T200 F201 P202 V203 W230 F255 D257W129-T228 WeakPolarHBondContact CZ3-OG1 3.45Å; T200-T228 PolarHBondContact OG1-N 3.31Å; T200-T228 PolarHBondContact OG1-OG1 2.97Å; F201-T228 PolarHBondContact O-N 3.34Å; P202-T228 CarbonylContact C-O 3.58Å; P202-T228 VanDerWaalsContact CA-O 3.23Å; P202-T228 WeakPolarHBondContact CA-O 3.34Å; V203-T228 PolarHBondContact N-O 2.97Å; T228-W230 PolarHBondContact O-N 3.42Å; T228-F255 CarbonylContact C-O 3.46Å; T228-F255 WeakPolarHBondContact CA-O 3.44Å; T228-F255 HydrophobicContact CG2-CB 4.45Å; T228-D257 HydrophobicContact CG2-CB 4.23Å
229I98.6Very high96.2Very high0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-77.3123.5175.9-52.1-177.4000107.8V203 A205 V208 L242 I245 V254 F255 Y256 D257 I258V203-I229 HydrophobicContact CG2-CG1 4.08Å; V203-I229 CarbonylContact O-C 3.53Å; V203-I229 VanDerWaalsContact O-CA 3.27Å; V203-I229 WeakPolarHBondContact O-CA 3.36Å; A205-I229 HydrophobicContact CB-CG2 3.74Å; V208-I229 HydrophobicContact CG1-CG2 4.33Å; I229-L242 HydrophobicContact CD1-CD2 4.42Å; I229-L242 HydrophobicContact CG2-CD2 3.98Å; I229-I245 HydrophobicContact CD1-CB 4.2Å; I229-I245 HydrophobicContact CD1-CG1 4.47Å; I229-I245 HydrophobicContact CD1-CG2 3.74Å; I229-V254 HydrophobicContact CD1-CG1 3.72Å; I229-V254 HydrophobicContact CG1-CG1 3.87Å; I229-F255 PolarHBondContact N-O 2.97Å; I229-Y256 HydrophobicContact CB-CD1 4.28Å; I229-Y256 HydrophobicContact CD1-CD1 4.1Å; I229-Y256 HydrophobicContact CD1-CE1 3.65Å; I229-Y256 HydrophobicContact CG1-CE1 4.49Å; I229-Y256 CarbonylContact O-C 3.53Å; I229-Y256 WeakPolarHBondContact O-CA 3.36Å; I229-D257 PolarHBondContact O-N 3.32Å; I229-I258 HydrophobicContact CB-CD1 4.44Å; I229-I258 HydrophobicContact CG2-CD1 3.91Å
230W98.3Very high96.2Very high44 Ų4454.1 Ų54.117%0.16728%0.278CS..EExtended strand (participates in β ladder)trans-126.3161.718071.2-87.7000112T169 V203 R204 A205 T228 D257T169-W230 VanDerWaalsContact OG1-CZ2 3.25Å; T169-W230 WeakPolarHBondContact OG1-CZ2 3.33Å; V203-W230 VanDerWaalsContact C-CD1 3.46Å; V203-W230 VanDerWaalsContact O-CD1 3.27Å; V203-W230 PolarHBondContact O-N 3.35Å; R204-W230 CarbonylContact C-O 3.33Å; R204-W230 WeakPolarHBondContact CA-O 3.3Å; R204-W230 HydrophobicContact CB-CZ2 4.22Å; R204-W230 HydrophobicContact CG-CZ2 4.5Å; R204-W230 VanDerWaalsContact NH2-CH2 3.26Å; A205-W230 PolarHBondContact N-O 3.07Å; T228-W230 PolarHBondContact O-N 3.42Å; W230-D257 VanDerWaalsContact CA-O 3.25Å; W230-D257 WeakPolarHBondContact CA-O 3.4Å; W230-D257 HydrophobicContact CB-CB 4.23Å
231T96.4Very high96.1Very high3 Ų348.4 Ų48.42%0.01826%0.255CS..  trans-133.1139.1177.9-172.10000112.9Y237 D257 I258 L259T231-Y237 HydrophobicContact CG2-CE1 4.38Å; T231-Y237 WeakPolarHBondContact OG1-CE1 3.32Å; T231-D257 PolarHBondContact N-O 3.31Å; T231-I258 HydrophobicContact CG2-CD1 4.33Å; T231-I258 HydrophobicContact CG2-CG2 4.19Å; T231-L259 HydrophobicContact CG2-CB 3.71Å; T231-L259 HydrophobicContact CG2-CD1 4.06Å; T231-L259 HydrophobicContact CG2-CG 3.6Å
232G93.3Very high96.1Very high17 Ų1744.7 Ų44.718%0.17524%0.237CC..  trans-77.9158.6164.600000111.8N234 D235G232-N234 PolarHBondContact O-N 3.01Å; G232-N234 VanDerWaalsContact O-N 3.17Å; G232-D235 PolarHBondContact N-OD2 3.42Å; G232-D235 PolarHBondContact O-N 3.16Å
233K90.8Very high96.1Very high192 Ų19246 Ų4684%0.83524%0.242SC*.THydrogen-bonded Turntrans-57.6-29.5-179.7-68-179.1179.8175.60114.4L259K233-L259 HydrophobicContact CG-CD1 3.99Å
234N90.5Very high96.2Very high140 Ų14044.1 Ų44.175%0.74922%0.219SC*.THydrogen-bonded Turntrans-106.92.3-175.3-59.7-35.3000112.6W171 G232W171-N234 VanDerWaalsContact CE3-O 3.26Å; W171-N234 WeakPolarHBondContact CZ3-O 3.47Å; G232-N234 PolarHBondContact O-N 3.01Å; G232-N234 VanDerWaalsContact O-N 3.17Å
235D93.4Very high96.3Very high15 Ų1542.6 Ų42.68%0.0821%0.214CC..  trans-69139.9-178.6-70.5-6.4000109.7W171 R204 A206 G232 Y237W171-D235 VanDerWaalsContact CB-OD1 3.31Å; W171-D235 WeakPolarHBondContact CB-OD1 3.29Å; R204-D235 WeakPolarHBondContact CD-OD2 3.48Å; R204-D235 WeakPolarHBondContact CG-OD2 3.06Å; R204-D235 IonicContact CZ-OD1 2.77Å; R204-D235 IonicContact CZ-OD2 2.66Å; R204-D235 IonicContact NE-OD2 3.02Å; R204-D235 IonicContact NH1-OD1 3.91Å; R204-D235 PolarHBondContact NH1-OD1 2.92Å; R204-D235 IonicContact NH1-OD2 4Å; R204-D235 PolarHBondContact NH1-OD2 3.11Å; A206-D235 HydrophobicContact CB-CB 4.26Å; G232-D235 PolarHBondContact N-OD2 3.42Å; G232-D235 PolarHBondContact O-N 3.16Å; D235-Y237 HydrophobicContact CB-CD1 4.23Å; D235-Y237 HydrophobicContact CB-CE1 4.49Å
236N93.1Very high96.2Very high115 Ų11544.4 Ų44.462%0.61522%0.221SC*.  trans-111.7125.3169.8-17217.9000109.4W171W171-N236 HydrophobicContact CH2-CB 3.71Å; W171-N236 HydrophobicContact CZ2-CB 3.41Å; W171-N236 VanDerWaalsContact CZ2-CB 3.41Å
237Y94.6Very high96.1Very high14 Ų1449.9 Ų49.96%0.05525%0.248CC..  trans-155.3156.6179.361-79.8000108.9A205 T231 D235 L242 I258 Q262A205-Y237 HydrophobicContact CB-CD1 4.02Å; A205-Y237 HydrophobicContact CB-CD2 3.85Å; A205-Y237 HydrophobicContact CB-CE1 4.24Å; A205-Y237 HydrophobicContact CB-CE2 4.04Å; A205-Y237 HydrophobicContact CB-CG 3.84Å; T231-Y237 HydrophobicContact CG2-CE1 4.38Å; T231-Y237 WeakPolarHBondContact OG1-CE1 3.32Å; D235-Y237 HydrophobicContact CB-CD1 4.23Å; D235-Y237 HydrophobicContact CB-CE1 4.49Å; Y237-L242 HydrophobicContact CD2-CD1 4.42Å; Y237-L242 HydrophobicContact CD2-CD2 4.44Å; Y237-L242 HydrophobicContact CD2-CG 4.28Å; Y237-L242 HydrophobicContact CE2-CD1 3.94Å; Y237-L242 HydrophobicContact CE2-CD2 4.48Å; Y237-L242 HydrophobicContact CE2-CG 4.28Å; Y237-I258 HydrophobicContact CE2-CG2 4.34Å; Y237-I258 WeakPolarHBondContact OH-CG2 2.99Å; Y237-Q262 HydrophobicContact CE2-CB 4.02Å; Y237-Q262 HydrophobicContact CE2-CG 4.12Å; Y237-Q262 VanDerWaalsContact OH-CB 3.26Å; Y237-Q262 WeakPolarHBondContact OH-CB 3.45Å
238S95.4Very high96.1Very high38 Ų3853.7 Ų53.727%0.26627%0.266SS..  trans-97.1155.5-177.569.80000111.9E240 D241S238-E240 WeakPolarHBondContact CB-OE2 3.03Å; S238-E240 PolarHBondContact O-N 3.03Å; S238-D241 PolarHBondContact N-OD2 2.9Å; S238-D241 WeakPolarHBondContact O-CB 3.32Å; S238-D241 PolarHBondContact O-N 3.37Å; S238-D241 PolarHBondContact OG-N 3.47Å; S238-D241 VanDerWaalsContact OG-N 3.09Å; S238-D241 PolarHBondContact OG-OD2 3.31Å
239I97.1Very high96Very high24 Ų2454.3 Ų54.312%0.12327%0.269CS..Hα-helixtrans-63.6-32.6170.9-57.5-57.4000109.7D241 L242 L243 Q262 E265 F266 A269I239-D241 VanDerWaalsContact C-N 3.25Å; I239-D241 PolarHBondContact O-N 3.26Å; I239-L242 WeakPolarHBondContact O-CB 3.32Å; I239-L242 PolarHBondContact O-N 3.31Å; I239-L242 VanDerWaalsContact O-N 3.11Å; I239-L243 HydrophobicContact CG2-CD1 4.11Å; I239-L243 HydrophobicContact CG2-CG 4.19Å; I239-L243 WeakPolarHBondContact O-CG 3.39Å; I239-L243 PolarHBondContact O-N 2.92Å; I239-Q262 HydrophobicContact CD1-CB 3.88Å; I239-Q262 HydrophobicContact CD1-CG 4.23Å; I239-Q262 WeakPolarHBondContact CD1-O 3.4Å; I239-E265 HydrophobicContact CD1-CB 3.9Å; I239-E265 HydrophobicContact CG1-CB 4.09Å; I239-F266 HydrophobicContact CD1-CB 4.2Å; I239-F266 HydrophobicContact CG2-CB 4.38Å; I239-F266 HydrophobicContact CG2-CD2 4.46Å; I239-A269 HydrophobicContact CG2-CB 4.42Å
240E97.5Very high96Very high126 Ų12658.2 Ų58.259%0.58929%0.289SS*.Hα-helixtrans-59.3-33.3174.3-67.176.7-17300112.7S238 Y244S238-E240 WeakPolarHBondContact CB-OE2 3.03Å; S238-E240 PolarHBondContact O-N 3.03Å; E240-Y244 WeakPolarHBondContact O-CB 3.43Å; E240-Y244 PolarHBondContact O-N 2.98Å
241D96.8Very high95.9Very high30 Ų3060.1 Ų60.116%0.1630%0.299CS..Hα-helixtrans-68.5-40.4174.9-65-42.5000111.5R209 S238 I239 Y244 I245R209-D241 HydrophobicContact CB-CB 4.3Å; R209-D241 WeakPolarHBondContact CB-OD1 3.37Å; R209-D241 WeakPolarHBondContact CD-OD1 3.31Å; R209-D241 VanDerWaalsContact CG-OD1 3.24Å; R209-D241 WeakPolarHBondContact CG-OD1 3.4Å; S238-D241 PolarHBondContact N-OD2 2.9Å; S238-D241 WeakPolarHBondContact O-CB 3.32Å; S238-D241 PolarHBondContact O-N 3.37Å; S238-D241 PolarHBondContact OG-N 3.47Å; S238-D241 VanDerWaalsContact OG-N 3.09Å; S238-D241 PolarHBondContact OG-OD2 3.31Å; I239-D241 VanDerWaalsContact C-N 3.25Å; I239-D241 PolarHBondContact O-N 3.26Å; D241-Y244 PolarHBondContact O-N 3.49Å; D241-I245 PolarHBondContact O-N 3.17Å; D241-I245 VanDerWaalsContact O-N 3.14Å
242L97.9Very high96Very high0 Ų064.2 Ų64.20%032%0.316CS..Hα-helixtrans-67.4-44.5175.4-61.5-176.7000111.7A205 I229 Y237 I239 Y244 I245 R246 F266A205-L242 HydrophobicContact CB-CD2 4.25Å; I229-L242 HydrophobicContact CD1-CD2 4.42Å; I229-L242 HydrophobicContact CG2-CD2 3.98Å; Y237-L242 HydrophobicContact CD2-CD1 4.42Å; Y237-L242 HydrophobicContact CD2-CD2 4.44Å; Y237-L242 HydrophobicContact CD2-CG 4.28Å; Y237-L242 HydrophobicContact CE2-CD1 3.94Å; Y237-L242 HydrophobicContact CE2-CD2 4.48Å; Y237-L242 HydrophobicContact CE2-CG 4.28Å; I239-L242 WeakPolarHBondContact O-CB 3.32Å; I239-L242 PolarHBondContact O-N 3.31Å; I239-L242 VanDerWaalsContact O-N 3.11Å; L242-Y244 VanDerWaalsContact C-N 3.29Å; L242-Y244 PolarHBondContact O-N 3.25Å; L242-I245 PolarHBondContact O-N 3.45Å; L242-R246 PolarHBondContact O-N 3.06Å; L242-F266 HydrophobicContact CB-CD2 3.59Å; L242-F266 HydrophobicContact CB-CE2 3.67Å; L242-F266 HydrophobicContact CB-CG 4.26Å; L242-F266 HydrophobicContact CB-CZ 4.4Å; L242-F266 HydrophobicContact CD1-CB 3.93Å; L242-F266 HydrophobicContact CD1-CD1 4.38Å; L242-F266 HydrophobicContact CD1-CD2 4.03Å; L242-F266 HydrophobicContact CD1-CG 3.85Å; L242-F266 HydrophobicContact CG-CD2 4.5Å
243L98.1Very high96.2Very high50 Ų5065.6 Ų65.626%0.26232%0.318SS..Hα-helixtrans-60.9-40.7175.6-69174.6000111.2I239 I245 R246 D247 F266 A269 I270I239-L243 HydrophobicContact CG2-CD1 4.11Å; I239-L243 HydrophobicContact CG2-CG 4.19Å; I239-L243 WeakPolarHBondContact O-CG 3.39Å; I239-L243 PolarHBondContact O-N 2.92Å; L243-I245 PolarHBondContact O-N 3.43Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 2.98Å; L243-R246 VanDerWaalsContact O-N 3.13Å; L243-D247 PolarHBondContact O-N 3.44Å; L243-F266 HydrophobicContact CD2-CD2 4.18Å; L243-F266 HydrophobicContact CD2-CE2 4.04Å; L243-F266 HydrophobicContact CG-CD2 4.5Å; L243-A269 HydrophobicContact CD1-CB 4.37Å; L243-A269 HydrophobicContact CD2-CB 4.23Å; L243-I270 HydrophobicContact CD2-CG2 3.45Å; L243-I270 VanDerWaalsContact CD2-CG2 3.45Å
244Y97.8Very high96.5Very high65 Ų6556.5 Ų56.526%0.25528%0.279SS..Hα-helixtrans-61.2-43.2176.4-178.3-94.9000112.5R209 C212 E240 D241 L242 R246 D247 H248R209-Y244 VanDerWaalsContact CZ-CG 3.43Å; R209-Y244 VanDerWaalsContact NH2-CE2 3.32Å; C212-Y244 HydrophobicContact CB-CD1 4.44Å; C212-Y244 HydrophobicContact CB-CE1 3.65Å; E240-Y244 WeakPolarHBondContact O-CB 3.43Å; E240-Y244 PolarHBondContact O-N 2.98Å; D241-Y244 PolarHBondContact O-N 3.49Å; L242-Y244 VanDerWaalsContact C-N 3.29Å; L242-Y244 PolarHBondContact O-N 3.25Å; Y244-R246 VanDerWaalsContact C-N 3.35Å; Y244-D247 PolarHBondContact O-N 3.29Å; Y244-H248 AromaticContact CD2-CE1 3.62Å; Y244-H248 AromaticContact CD2-ND1 3.99Å; Y244-H248 AromaticContact CE2-CE1 3.24Å; Y244-H248 WeakPolarHBondContact CE2-CE1 3.04Å; Y244-H248 AromaticContact CE2-ND1 3.94Å; Y244-H248 AromaticContact CE2-NE2 3.93Å; Y244-H248 AromaticContact CZ-CE1 3.44Å; Y244-H248 VanDerWaalsContact CZ-CE1 3.44Å; Y244-H248 AromaticContact CZ-ND1 3.93Å; Y244-H248 AromaticContact CZ-NE2 3.83Å; Y244-H248 PolarHBondContact O-N 3.22Å; Y244-H248 PolarHBondContact O-ND1 3.14Å
245I97.6Very high96.9Very high0 Ų050.1 Ų50.10%024%0.244CC..Hα-helixtrans-63.7-44.1173.1-64.1-60000110.4V208 C212 I229 D241 L242 L243 D247 H248 F249 V254V208-I245 HydrophobicContact CB-CD1 3.91Å; V208-I245 HydrophobicContact CB-CG1 3.88Å; V208-I245 HydrophobicContact CG2-CD1 3.98Å; V208-I245 HydrophobicContact CG2-CG1 3.47Å; V208-I245 VanDerWaalsContact CG2-CG1 3.47Å; C212-I245 HydrophobicContact CB-CD1 4.21Å; I229-I245 HydrophobicContact CD1-CB 4.2Å; I229-I245 HydrophobicContact CD1-CG1 4.47Å; I229-I245 HydrophobicContact CD1-CG2 3.74Å; D241-I245 PolarHBondContact O-N 3.17Å; D241-I245 VanDerWaalsContact O-N 3.14Å; L242-I245 PolarHBondContact O-N 3.45Å; L243-I245 PolarHBondContact O-N 3.43Å; I245-D247 PolarHBondContact O-N 2.84Å; I245-H248 PolarHBondContact O-N 2.89Å; I245-H248 VanDerWaalsContact O-N 3.08Å; I245-F249 HydrophobicContact CB-CD2 4.49Å; I245-F249 HydrophobicContact CD1-CE2 3.9Å; I245-F249 HydrophobicContact CG2-CD2 3.69Å; I245-F249 HydrophobicContact CG2-CE2 3.98Å; I245-F249 HydrophobicContact CG2-CG 4.2Å; I245-F249 WeakPolarHBondContact O-CD2 3.46Å; I245-F249 PolarHBondContact O-N 2.88Å; I245-F249 VanDerWaalsContact O-N 3.14Å; I245-V254 HydrophobicContact CG2-CG1 4.38Å
246R97.1Very high97.2Very high42 Ų4249.6 Ų49.616%0.15824%0.241CC..Hα-helixtrans-58.8-35.4178.4-173.6175176.277.5-3113.4D29 L242 L243 Y244 H248D29-R246 IonicContact OD1-CZ 3.73Å; D29-R246 IonicContact OD1-NH1 2.85Å; D29-R246 PolarHBondContact OD1-NH1 3.08Å; D29-R246 IonicContact OD1-NH2 3.68Å; D29-R246 IonicContact OD2-CZ 3.47Å; D29-R246 IonicContact OD2-NH1 3.36Å; D29-R246 PolarHBondContact OD2-NH1 3.33Å; D29-R246 IonicContact OD2-NH2 2.68Å; D29-R246 PolarHBondContact OD2-NH2 3.29Å; L242-R246 PolarHBondContact O-N 3.06Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 2.98Å; L243-R246 VanDerWaalsContact O-N 3.13Å; Y244-R246 VanDerWaalsContact C-N 3.35Å; R246-H248 VanDerWaalsContact C-N 3.31Å; R246-H248 PolarHBondContact O-N 3.43Å
247D97.3Very high97.4Very high131 Ų13144.4 Ų44.470%0.70121%0.214SC*.Hα-helixtrans-71.4-23.9178.7-72.2-17.9000113.4L243 Y244 I245L243-D247 PolarHBondContact O-N 3.44Å; Y244-D247 PolarHBondContact O-N 3.29Å; I245-D247 PolarHBondContact O-N 2.84Å
248H97.4Very high97.5Very high81 Ų8144.3 Ų44.338%0.37521%0.214SC..Hα-helixtrans-102.2-14.3-174.1-70.978000114.1Y244 I245 R246Y244-H248 AromaticContact CD2-CE1 3.62Å; Y244-H248 AromaticContact CD2-ND1 3.99Å; Y244-H248 AromaticContact CE2-CE1 3.24Å; Y244-H248 WeakPolarHBondContact CE2-CE1 3.04Å; Y244-H248 AromaticContact CE2-ND1 3.94Å; Y244-H248 AromaticContact CE2-NE2 3.93Å; Y244-H248 AromaticContact CZ-CE1 3.44Å; Y244-H248 VanDerWaalsContact CZ-CE1 3.44Å; Y244-H248 AromaticContact CZ-ND1 3.93Å; Y244-H248 AromaticContact CZ-NE2 3.83Å; Y244-H248 PolarHBondContact O-N 3.22Å; Y244-H248 PolarHBondContact O-ND1 3.14Å; I245-H248 PolarHBondContact O-N 2.89Å; I245-H248 VanDerWaalsContact O-N 3.08Å; R246-H248 VanDerWaalsContact C-N 3.31Å; R246-H248 PolarHBondContact O-N 3.43Å
249F97.9Very high97.5Very high14 Ų1445 Ų456%0.06121%0.214CC..SBendtrans-121150.2-172.7-69.9-105.9000110.9L215 L216 L219 L227 I245 K251 V254L215-F249 HydrophobicContact CB-CE1 4.18Å; L215-F249 HydrophobicContact CB-CZ 3.82Å; L216-F249 HydrophobicContact CB-CE1 4.12Å; L216-F249 HydrophobicContact CB-CE2 4.48Å; L216-F249 HydrophobicContact CB-CZ 3.86Å; L216-F249 HydrophobicContact CD1-CD1 4.27Å; L216-F249 HydrophobicContact CD1-CE1 4.2Å; L216-F249 HydrophobicContact CD1-CZ 4.47Å; L219-F249 HydrophobicContact CD1-CD1 3.6Å; L219-F249 HydrophobicContact CD1-CE1 3.96Å; L219-F249 HydrophobicContact CG-CD1 4.35Å; L219-F249 HydrophobicContact CG-CE1 4.23Å; L227-F249 HydrophobicContact CD1-CD1 3.9Å; L227-F249 HydrophobicContact CD1-CE1 3.54Å; L227-F249 HydrophobicContact CD1-CZ 4.08Å; I245-F249 HydrophobicContact CB-CD2 4.49Å; I245-F249 HydrophobicContact CD1-CE2 3.9Å; I245-F249 HydrophobicContact CG2-CD2 3.69Å; I245-F249 HydrophobicContact CG2-CE2 3.98Å; I245-F249 HydrophobicContact CG2-CG 4.2Å; I245-F249 WeakPolarHBondContact O-CD2 3.46Å; I245-F249 PolarHBondContact O-N 2.88Å; I245-F249 VanDerWaalsContact O-N 3.14Å; F249-K251 PolarHBondContact O-N 3.01Å; F249-V254 HydrophobicContact CB-CG2 3.55Å; F249-V254 HydrophobicContact CD1-CG2 4.27Å; F249-V254 HydrophobicContact CG-CG2 4.13Å
250D97.4Very high97.3Very high81 Ų8149 Ų4943%0.43323%0.232SC..  trans-63.6122169.8-172.9-17.9000108.7K252 Q253D250-K252 PolarHBondContact O-N 3.3Å; D250-K252 WeakPolarHBondContact OD1-CB 3.38Å; D250-K252 WeakPolarHBondContact OD1-CG 3.37Å; D250-K252 PolarHBondContact OD1-N 3.12Å; D250-Q253 HydrophobicContact CB-CG 4.26Å; D250-Q253 PolarHBondContact O-N 2.75Å
251K97.2Very high97.1Very high84 Ų8446.7 Ų46.737%0.36523%0.229SC..G310 helixtrans-56.6-21.617868.6-174.5-160.1154.90113.5E28 D29 G30 F249 Q253E28-K251 WeakPolarHBondContact O-CE 3.44Å; D29-K251 HydrophobicContact CB-CD 4.38Å; D29-K251 WeakPolarHBondContact OD2-CD 3.2Å; D29-K251 IonicContact OD2-NZ 3.48Å; D29-K251 PolarHBondContact OD2-NZ 3.4Å; G30-K251 PolarHBondContact N-O 3.27Å; F249-K251 PolarHBondContact O-N 3.01Å; K251-Q253 VanDerWaalsContact C-N 3.26Å; K251-Q253 PolarHBondContact O-N 3.39Å
252K97.6Very high97Very high89 Ų8947.6 Ų47.639%0.38723%0.232SC..G310 helixtrans-73.4-17.6174-60.2-175.3-170.2-167.70113.4L16 E28 D250L16-K252 HydrophobicContact CD1-CB 4.05Å; L16-K252 HydrophobicContact CD1-CG 4.42Å; L16-K252 WeakPolarHBondContact CD1-O 3.37Å; E28-K252 HydrophobicContact CB-CD 4.1Å; E28-K252 HydrophobicContact CB-CG 4.05Å; E28-K252 WeakPolarHBondContact O-CG 3.49Å; E28-K252 WeakPolarHBondContact OE2-CE 3.49Å; E28-K252 IonicContact OE2-NZ 2.63Å; E28-K252 PolarHBondContact OE2-NZ 2.93Å; D250-K252 PolarHBondContact O-N 3.3Å; D250-K252 WeakPolarHBondContact OD1-CB 3.38Å; D250-K252 WeakPolarHBondContact OD1-CG 3.37Å; D250-K252 PolarHBondContact OD1-N 3.12Å
253Q97.3Very high96.9Very high46 Ų4648.4 Ų48.422%0.21524%0.236CC..G310 helixtrans-108.14.5-176-62-173.9-77.300113.2L219 Y225 S226 L227 D250 K251L219-Q253 HydrophobicContact CD1-CB 4.09Å; Y225-Q253 PolarHBondContact O-NE2 2.79Å; S226-Q253 CarbonylContact C-O 3.52Å; S226-Q253 VanDerWaalsContact CA-O 3.24Å; S226-Q253 WeakPolarHBondContact CA-O 3.39Å; S226-Q253 WeakPolarHBondContact CB-O 3.31Å; L227-Q253 PolarHBondContact N-O 3.03Å; D250-Q253 HydrophobicContact CB-CG 4.26Å; D250-Q253 PolarHBondContact O-N 2.75Å; K251-Q253 VanDerWaalsContact C-N 3.26Å; K251-Q253 PolarHBondContact O-N 3.39Å
254V98.4Very high96.8Very high1 Ų148.4 Ų48.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-129.2116.4-178.3-171.90000110.7G30 L227 I229 I245 F249 Y256G30-V254 CarbonylContact C-O 3.46Å; G30-V254 WeakPolarHBondContact CA-O 3.38Å; L227-V254 HydrophobicContact CB-CG1 4.37Å; L227-V254 HydrophobicContact CB-CG2 4.47Å; L227-V254 WeakPolarHBondContact O-CA 3.42Å; I229-V254 HydrophobicContact CD1-CG1 3.72Å; I229-V254 HydrophobicContact CG1-CG1 3.87Å; I245-V254 HydrophobicContact CG2-CG1 4.38Å; F249-V254 HydrophobicContact CB-CG2 3.55Å; F249-V254 HydrophobicContact CD1-CG2 4.27Å; F249-V254 HydrophobicContact CG-CG2 4.13Å; V254-Y256 HydrophobicContact CB-CE2 4.18Å; V254-Y256 HydrophobicContact CG1-CE1 4.23Å; V254-Y256 HydrophobicContact CG1-CE2 3.78Å; V254-Y256 VanDerWaalsContact O-CE2 3.23Å; V254-Y256 WeakPolarHBondContact O-CE2 3.41Å
255F98.6Very high96.7Very high6 Ų649.9 Ų49.93%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-104.3156.7175.7-53.5-78.6000110.8I15 L16 I33 W35 W129 L227 T228 I229I15-F255 HydrophobicContact CG2-CD1 4.17Å; I15-F255 HydrophobicContact CG2-CE1 3.26Å; I15-F255 HydrophobicContact CG2-CE2 4.27Å; I15-F255 HydrophobicContact CG2-CZ 3.32Å; L16-F255 HydrophobicContact CD1-CE1 4.41Å; L16-F255 HydrophobicContact CD2-CE1 3.95Å; L16-F255 HydrophobicContact CG-CE1 3.98Å; L16-F255 HydrophobicContact CG-CZ 4.36Å; I33-F255 HydrophobicContact CB-CD1 4.26Å; I33-F255 HydrophobicContact CG1-CD1 3.91Å; I33-F255 HydrophobicContact CG1-CE1 4.05Å; W35-F255 HydrophobicContact CZ2-CB 4.04Å; W35-F255 HydrophobicContact CZ2-CG 4.45Å; W129-F255 AromaticContact CH2-CD2 3.73Å; W129-F255 HydrophobicContact CH2-CD2 3.73Å; W129-F255 AromaticContact CH2-CE2 3.94Å; W129-F255 HydrophobicContact CH2-CE2 3.94Å; W129-F255 HydrophobicContact CH2-CG 4.15Å; W129-F255 HydrophobicContact CZ2-CE2 4.42Å; L227-F255 WeakPolarHBondContact O-CD2 3.24Å; L227-F255 PolarHBondContact O-N 2.91Å; T228-F255 CarbonylContact C-O 3.46Å; T228-F255 WeakPolarHBondContact CA-O 3.44Å; T228-F255 HydrophobicContact CG2-CB 4.45Å; I229-F255 PolarHBondContact N-O 2.97Å
256Y98.3Very high96.7Very high4 Ų449.9 Ų49.92%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-130.996.8-171.4-60.3-99.2000110.9A31 I229 V254 I258 F266A31-Y256 HydrophobicContact CB-CD2 3.84Å; A31-Y256 HydrophobicContact CB-CE2 3.96Å; I229-Y256 HydrophobicContact CB-CD1 4.28Å; I229-Y256 HydrophobicContact CD1-CD1 4.1Å; I229-Y256 HydrophobicContact CD1-CE1 3.65Å; I229-Y256 HydrophobicContact CG1-CE1 4.49Å; I229-Y256 CarbonylContact O-C 3.53Å; I229-Y256 WeakPolarHBondContact O-CA 3.36Å; V254-Y256 HydrophobicContact CB-CE2 4.18Å; V254-Y256 HydrophobicContact CG1-CE1 4.23Å; V254-Y256 HydrophobicContact CG1-CE2 3.78Å; V254-Y256 VanDerWaalsContact O-CE2 3.23Å; V254-Y256 WeakPolarHBondContact O-CE2 3.41Å; Y256-I258 VanDerWaalsContact C-N 3.33Å; Y256-I258 HydrophobicContact CD1-CG1 4.44Å; Y256-I258 PolarHBondContact O-N 3.42Å; Y256-F266 HydrophobicContact CD1-CD1 4.23Å; Y256-F266 AromaticContact CD1-CE1 3.53Å; Y256-F266 HydrophobicContact CD1-CE1 3.53Å; Y256-F266 AromaticContact CD1-CZ 3.93Å; Y256-F266 HydrophobicContact CD1-CZ 3.93Å; Y256-F266 HydrophobicContact CD2-CE1 4.06Å; Y256-F266 HydrophobicContact CE1-CD1 4.47Å; Y256-F266 AromaticContact CE1-CE1 3.49Å; Y256-F266 HydrophobicContact CE1-CE1 3.49Å; Y256-F266 VanDerWaalsContact CE1-CE1 3.49Å; Y256-F266 HydrophobicContact CE1-CE2 4.28Å; Y256-F266 AromaticContact CE1-CZ 3.37Å; Y256-F266 HydrophobicContact CE1-CZ 3.37Å; Y256-F266 HydrophobicContact CE2-CE1 4.06Å; Y256-F266 HydrophobicContact CE2-CZ 4.16Å; Y256-F266 AromaticContact CG-CE1 3.83Å; Y256-F266 HydrophobicContact CG-CE1 3.83Å; Y256-F266 AromaticContact CZ-CE1 3.79Å; Y256-F266 AromaticContact CZ-CZ 3.53Å
257D97.8Very high96.7Very high6 Ų648.3 Ų48.33%0.03224%0.238CC..EExtended strand (participates in β ladder)trans-90.668.8169.9-176.219000109.6W35 H37 T228 I229 W230 T231W35-D257 HydrophobicContact CB-CB 4.09Å; W35-D257 WeakPolarHBondContact CB-OD1 3.43Å; W35-D257 HydrophobicContact CD2-CB 4.12Å; W35-D257 HydrophobicContact CG-CB 3.84Å; H37-D257 IonicContact CE1-OD2 3.88Å; H37-D257 IonicContact CG-OD2 3.36Å; H37-D257 IonicContact ND1-OD1 3.46Å; H37-D257 IonicContact ND1-OD2 3.85Å; H37-D257 PolarHBondContact ND1-OD2 3.2Å; T228-D257 HydrophobicContact CG2-CB 4.23Å; I229-D257 PolarHBondContact O-N 3.32Å; W230-D257 VanDerWaalsContact CA-O 3.25Å; W230-D257 WeakPolarHBondContact CA-O 3.4Å; W230-D257 HydrophobicContact CB-CB 4.23Å; T231-D257 PolarHBondContact N-O 3.31Å
258I96.4Very high96.6Very high12 Ų1248.3 Ų48.36%0.06223%0.234CC..  trans-109.9134.6-169.3-58.8-62.2000109.9A205 I229 T231 Y237 Y256 Q262 N263A205-I258 HydrophobicContact CB-CD1 3.97Å; I229-I258 HydrophobicContact CB-CD1 4.44Å; I229-I258 HydrophobicContact CG2-CD1 3.91Å; T231-I258 HydrophobicContact CG2-CD1 4.33Å; T231-I258 HydrophobicContact CG2-CG2 4.19Å; Y237-I258 HydrophobicContact CE2-CG2 4.34Å; Y237-I258 WeakPolarHBondContact OH-CG2 2.99Å; Y256-I258 VanDerWaalsContact C-N 3.33Å; Y256-I258 HydrophobicContact CD1-CG1 4.44Å; Y256-I258 PolarHBondContact O-N 3.42Å; I258-Q262 HydrophobicContact CG2-CB 4.29Å; I258-N263 HydrophobicContact CB-CB 3.98Å; I258-N263 HydrophobicContact CG2-CB 3.91Å; I258-N263 WeakPolarHBondContact O-CB 3.41Å
259L95.1Very high96.6Very high53 Ų5347.3 Ų47.328%0.27724%0.24SC..  trans-72.9153.7176.9-62.3176.3000111.5H37 T231 K233 Q262 N263H37-L259 HydrophobicContact CB-CD2 4.49Å; T231-L259 HydrophobicContact CG2-CB 3.71Å; T231-L259 HydrophobicContact CG2-CD1 4.06Å; T231-L259 HydrophobicContact CG2-CG 3.6Å; K233-L259 HydrophobicContact CG-CD1 3.99Å; L259-Q262 PolarHBondContact O-N 3.24Å; L259-N263 PolarHBondContact O-N 3.4Å
260E93.7Very high96.5Very high107 Ų10748.4 Ų48.450%0.525%0.246SC..THydrogen-bonded Turntrans-74.2149.5170.8-63.1-57159.800111.4N263 H264E260-N263 WeakPolarHBondContact OE1-CB 3.11Å; E260-N263 PolarHBondContact OE1-ND2 3.43Å; E260-H264 WeakPolarHBondContact OE2-CB 3.49Å; E260-H264 PolarHBondContact OE2-N 2.76Å
261P93.6Very high96.4Very high79 Ų7947.7 Ų47.751%0.51326%0.258SS..THydrogen-bonded Turncis-87.9-8.46.134.7-37.2000116.1N263 H264 E265P261-N263 VanDerWaalsContact C-N 3.27Å; P261-N263 PolarHBondContact O-N 2.9Å; P261-H264 WeakPolarHBondContact O-CB 3.22Å; P261-H264 PolarHBondContact O-N 3.45Å; P261-H264 VanDerWaalsContact O-N 3.15Å; P261-E265 PolarHBondContact O-N 3.06Å
262Q95.3Very high96.1Very high49 Ų4945.1 Ų45.123%0.22925%0.248CC..Hα-helixtrans-62.7-33.2-173.3-71.189.6-21.600113Y237 I239 I258 L259 E265 F266Y237-Q262 HydrophobicContact CE2-CB 4.02Å; Y237-Q262 HydrophobicContact CE2-CG 4.12Å; Y237-Q262 VanDerWaalsContact OH-CB 3.26Å; Y237-Q262 WeakPolarHBondContact OH-CB 3.45Å; I239-Q262 HydrophobicContact CD1-CB 3.88Å; I239-Q262 HydrophobicContact CD1-CG 4.23Å; I239-Q262 WeakPolarHBondContact CD1-O 3.4Å; I258-Q262 HydrophobicContact CG2-CB 4.29Å; L259-Q262 PolarHBondContact O-N 3.24Å; Q262-E265 PolarHBondContact O-N 3.32Å; Q262-F266 VanDerWaalsContact O-CB 3.31Å; Q262-F266 WeakPolarHBondContact O-CB 3.37Å; Q262-F266 PolarHBondContact O-N 3.26Å
263N95.3Very high95.3Very high17 Ų1750.1 Ų50.19%0.09127%0.27CS..Hα-helixtrans-61.1-43.9175.9-179.153000112.1I258 L259 E260 P261 K267I258-N263 HydrophobicContact CB-CB 3.98Å; I258-N263 HydrophobicContact CG2-CB 3.91Å; I258-N263 WeakPolarHBondContact O-CB 3.41Å; L259-N263 PolarHBondContact O-N 3.4Å; E260-N263 WeakPolarHBondContact OE1-CB 3.11Å; E260-N263 PolarHBondContact OE1-ND2 3.43Å; P261-N263 VanDerWaalsContact C-N 3.27Å; P261-N263 PolarHBondContact O-N 2.9Å; N263-K267 WeakPolarHBondContact O-CB 3.47Å; N263-K267 WeakPolarHBondContact O-CG 3.49Å; N263-K267 PolarHBondContact O-N 3.44Å; N263-K267 VanDerWaalsContact OD1-CE 3.29Å; N263-K267 WeakPolarHBondContact OD1-CE 3.48Å
264H94.9Very high94Very high50 Ų5050.1 Ų50.123%0.23127%0.273CS..Hα-helixtrans-59.5-49.8173.3-178.789.4000112.1E260 P261 F266 K267 Q268 V274E260-H264 WeakPolarHBondContact OE2-CB 3.49Å; E260-H264 PolarHBondContact OE2-N 2.76Å; P261-H264 WeakPolarHBondContact O-CB 3.22Å; P261-H264 PolarHBondContact O-N 3.45Å; P261-H264 VanDerWaalsContact O-N 3.15Å; H264-F266 PolarHBondContact O-N 3.14Å; H264-K267 PolarHBondContact O-N 2.95Å; H264-Q268 WeakPolarHBondContact O-CB 3.3Å; H264-Q268 PolarHBondContact O-N 2.81Å; H264-V274 WeakPolarHBondContact ND1-CB 3.43Å; H264-V274 WeakPolarHBondContact ND1-CG1 3.41Å
265E96.3Very high92.2Very high95 Ų9556.9 Ų56.944%0.44431%0.309SS..Hα-helixtrans-61.2-43.8-179.3-67.7176.8-169.700112I239 P261 Q262 Q268 A269I239-E265 HydrophobicContact CD1-CB 3.9Å; I239-E265 HydrophobicContact CG1-CB 4.09Å; P261-E265 PolarHBondContact O-N 3.06Å; Q262-E265 PolarHBondContact O-N 3.32Å; E265-Q268 PolarHBondContact O-N 3.19Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.56Å
266F97.4Very high89.9Confident0 Ų067 Ų670%036%0.362CS..Hα-helixtrans-60.4-48.8175.4171.9-114.8000111.6A31 I239 L242 L243 Y256 Q262 H264 Q268 A269 I270A31-F266 HydrophobicContact CB-CE1 4.1Å; I239-F266 HydrophobicContact CD1-CB 4.2Å; I239-F266 HydrophobicContact CG2-CB 4.38Å; I239-F266 HydrophobicContact CG2-CD2 4.46Å; L242-F266 HydrophobicContact CB-CD2 3.59Å; L242-F266 HydrophobicContact CB-CE2 3.67Å; L242-F266 HydrophobicContact CB-CG 4.26Å; L242-F266 HydrophobicContact CB-CZ 4.4Å; L242-F266 HydrophobicContact CD1-CB 3.93Å; L242-F266 HydrophobicContact CD1-CD1 4.38Å; L242-F266 HydrophobicContact CD1-CD2 4.03Å; L242-F266 HydrophobicContact CD1-CG 3.85Å; L242-F266 HydrophobicContact CG-CD2 4.5Å; L243-F266 HydrophobicContact CD2-CD2 4.18Å; L243-F266 HydrophobicContact CD2-CE2 4.04Å; L243-F266 HydrophobicContact CG-CD2 4.5Å; Y256-F266 HydrophobicContact CD1-CD1 4.23Å; Y256-F266 AromaticContact CD1-CE1 3.53Å; Y256-F266 HydrophobicContact CD1-CE1 3.53Å; Y256-F266 AromaticContact CD1-CZ 3.93Å; Y256-F266 HydrophobicContact CD1-CZ 3.93Å; Y256-F266 HydrophobicContact CD2-CE1 4.06Å; Y256-F266 HydrophobicContact CE1-CD1 4.47Å; Y256-F266 AromaticContact CE1-CE1 3.49Å; Y256-F266 HydrophobicContact CE1-CE1 3.49Å; Y256-F266 VanDerWaalsContact CE1-CE1 3.49Å; Y256-F266 HydrophobicContact CE1-CE2 4.28Å; Y256-F266 AromaticContact CE1-CZ 3.37Å; Y256-F266 HydrophobicContact CE1-CZ 3.37Å; Y256-F266 HydrophobicContact CE2-CE1 4.06Å; Y256-F266 HydrophobicContact CE2-CZ 4.16Å; Y256-F266 AromaticContact CG-CE1 3.83Å; Y256-F266 HydrophobicContact CG-CE1 3.83Å; Y256-F266 AromaticContact CZ-CE1 3.79Å; Y256-F266 AromaticContact CZ-CZ 3.53Å; Q262-F266 VanDerWaalsContact O-CB 3.31Å; Q262-F266 WeakPolarHBondContact O-CB 3.37Å; Q262-F266 PolarHBondContact O-N 3.26Å; H264-F266 PolarHBondContact O-N 3.14Å; F266-Q268 VanDerWaalsContact C-N 3.32Å; F266-Q268 PolarHBondContact O-N 2.95Å; F266-A269 WeakPolarHBondContact O-CB 3.09Å; F266-A269 PolarHBondContact O-N 2.91Å; F266-A269 VanDerWaalsContact O-N 3.17Å; F266-I270 HydrophobicContact CD1-CD1 4.39Å; F266-I270 HydrophobicContact CD2-CG2 4.4Å; F266-I270 HydrophobicContact CE1-CD1 3.86Å; F266-I270 HydrophobicContact CE2-CD1 4.49Å; F266-I270 HydrophobicContact CE2-CG2 4.01Å; F266-I270 HydrophobicContact CZ-CD1 3.92Å; F266-I270 HydrophobicContact CZ-CG2 4.41Å; F266-I270 WeakPolarHBondContact O-CG1 3.44Å; F266-I270 PolarHBondContact O-N 2.67Å
267K96.7Very high89.5Confident9 Ų970.1 Ų70.14%0.03938%0.379CS..Hα-helixtrans-62-40.7178.9-76.4-177.5-178.8-163.10112.1A31 T34 N263 H264 I270 G271 I272 V274A31-K267 WeakPolarHBondContact O-CE 3.44Å; A31-K267 PolarHBondContact O-NZ 3.42Å; T34-K267 VanDerWaalsContact CG2-NZ 3.33Å; N263-K267 WeakPolarHBondContact O-CB 3.47Å; N263-K267 WeakPolarHBondContact O-CG 3.49Å; N263-K267 PolarHBondContact O-N 3.44Å; N263-K267 VanDerWaalsContact OD1-CE 3.29Å; N263-K267 WeakPolarHBondContact OD1-CE 3.48Å; H264-K267 PolarHBondContact O-N 2.95Å; K267-I270 WeakPolarHBondContact O-CG1 3.37Å; K267-I270 PolarHBondContact O-N 3.16Å; K267-G271 PolarHBondContact O-N 3.31Å; K267-G271 VanDerWaalsContact O-N 3.13Å; K267-I272 HydrophobicContact CB-CB 4.1Å; K267-I272 HydrophobicContact CB-CG2 4.36Å; K267-I272 HydrophobicContact CD-CG2 4.27Å; K267-I272 HydrophobicContact CG-CB 4.39Å; K267-I272 HydrophobicContact CG-CG2 4.38Å; K267-I272 PolarHBondContact O-N 3.31Å; K267-V274 HydrophobicContact CB-CG2 3.55Å; K267-V274 HydrophobicContact CD-CG2 4.03Å; K267-V274 HydrophobicContact CG-CG2 4.42Å
268Q95.9Very high89Confident131 Ų13173.5 Ų73.561%0.61240%0.397SS*.Hα-helixtrans-61.1-44.8174.1-173.7-179.25.100111.4H264 E265 F266 I270 G271H264-Q268 WeakPolarHBondContact O-CB 3.3Å; H264-Q268 PolarHBondContact O-N 2.81Å; E265-Q268 PolarHBondContact O-N 3.19Å; F266-Q268 VanDerWaalsContact C-N 3.32Å; F266-Q268 PolarHBondContact O-N 2.95Å; Q268-I270 PolarHBondContact O-N 3.2Å; Q268-G271 PolarHBondContact O-N 2.93Å; Q268-G271 VanDerWaalsContact O-N 3.14Å
269A96.9Very high88.6Confident61 Ų6176.9 Ų76.950%0.50442%0.416SS..Hα-helixtrans-61.3-29.5179.600000113.2I239 L243 E265 F266I239-A269 HydrophobicContact CG2-CB 4.42Å; L243-A269 HydrophobicContact CD1-CB 4.37Å; L243-A269 HydrophobicContact CD2-CB 4.23Å; E265-A269 WeakPolarHBondContact O-CB 3.47Å; E265-A269 PolarHBondContact O-N 2.56Å; F266-A269 WeakPolarHBondContact O-CB 3.09Å; F266-A269 PolarHBondContact O-N 2.91Å; F266-A269 VanDerWaalsContact O-N 3.17Å
270I96.6Very high88.2Confident37 Ų3778.3 Ų78.319%0.1942%0.424CS..THydrogen-bonded Turntrans-100.26.6179.768.1174.5000113.5A31 L243 F266 K267 Q268 I272A31-I270 HydrophobicContact CB-CD1 3.62Å; L243-I270 HydrophobicContact CD2-CG2 3.45Å; L243-I270 VanDerWaalsContact CD2-CG2 3.45Å; F266-I270 HydrophobicContact CD1-CD1 4.39Å; F266-I270 HydrophobicContact CD2-CG2 4.4Å; F266-I270 HydrophobicContact CE1-CD1 3.86Å; F266-I270 HydrophobicContact CE2-CD1 4.49Å; F266-I270 HydrophobicContact CE2-CG2 4.01Å; F266-I270 HydrophobicContact CZ-CD1 3.92Å; F266-I270 HydrophobicContact CZ-CG2 4.41Å; F266-I270 WeakPolarHBondContact O-CG1 3.44Å; F266-I270 PolarHBondContact O-N 2.67Å; K267-I270 WeakPolarHBondContact O-CG1 3.37Å; K267-I270 PolarHBondContact O-N 3.16Å; Q268-I270 PolarHBondContact O-N 3.2Å; I270-I272 HydrophobicContact CD1-CD1 3.59Å; I270-I272 HydrophobicContact CD1-CG1 4.12Å; I270-I272 HydrophobicContact CG1-CB 4.49Å; I270-I272 HydrophobicContact CG1-CD1 4.11Å; I270-I272 HydrophobicContact CG1-CG1 4.06Å
271G94.7Very high87.9Confident66 Ų6676.5 Ų76.568%0.6842%0.42SS*.THydrogen-bonded Turntrans78.816.2174.900000115.7K267 Q268K267-G271 PolarHBondContact O-N 3.31Å; K267-G271 VanDerWaalsContact O-N 3.13Å; Q268-G271 PolarHBondContact O-N 2.93Å; Q268-G271 VanDerWaalsContact O-N 3.14Å
272I92.3Very high87.5Confident30 Ų3076.3 Ų76.315%0.15441%0.413CS..  trans-82.7125.3173-66.9178.1000108.9A31 E32 K267 I270 V274A31-I272 HydrophobicContact CB-CD1 3.6Å; E32-I272 HydrophobicContact CG-CD1 3.86Å; E32-I272 HydrophobicContact CG-CG1 4.44Å; K267-I272 HydrophobicContact CB-CB 4.1Å; K267-I272 HydrophobicContact CB-CG2 4.36Å; K267-I272 HydrophobicContact CD-CG2 4.27Å; K267-I272 HydrophobicContact CG-CB 4.39Å; K267-I272 HydrophobicContact CG-CG2 4.38Å; K267-I272 PolarHBondContact O-N 3.31Å; I270-I272 HydrophobicContact CD1-CD1 3.59Å; I270-I272 HydrophobicContact CD1-CG1 4.12Å; I270-I272 HydrophobicContact CG1-CB 4.49Å; I270-I272 HydrophobicContact CG1-CD1 4.11Å; I270-I272 HydrophobicContact CG1-CG1 4.06Å; I272-V274 PolarHBondContact O-N 3.23Å
273K79.8Confident87Confident193 Ų19378.3 Ų78.384%0.83943%0.426SS*.  trans-68.5121.2176-68.1-175.8-179179.30109.9
274V70.4Confident86.3Confident47 Ų4783 Ų8329%0.28545%0.452SS..  trans-98.5111.9170.9-169.80000107.5H264 K267 I272 L276H264-V274 WeakPolarHBondContact ND1-CB 3.43Å; H264-V274 WeakPolarHBondContact ND1-CG1 3.41Å; K267-V274 HydrophobicContact CB-CG2 3.55Å; K267-V274 HydrophobicContact CD-CG2 4.03Å; K267-V274 HydrophobicContact CG-CG2 4.42Å; I272-V274 PolarHBondContact O-N 3.23Å; V274-L276 PolarHBondContact O-N 3.43Å
275N60.1Low85.6Confident143 Ų14385.8 Ų85.877%0.76547%0.471SS*.  trans-78.4112.5170-66-23.8000107.1
276L50.2Low84.6Confident217 Ų21784.9 Ų84.9100%1.13647%0.473SS*.  trans-70.80170.5-68.2168.4000110.8V274V274-L276 PolarHBondContact O-N 3.43Å

Retrieved 276 of 276 residues in 56.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).