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Ubiquitin carboxyl-terminal hydrolase isozyme L5

Protease that specifically cleaves 'Lys-48'-linked polyubiquitin chains. Deubiquitinating enzyme associated with the 19S regulatory subunit of the 26S proteasome. Putative regulatory component of the INO80 complex; however is inactive in the INO80 complex and is activated by a transient interaction of the INO80 complex with the proteasome via ADRM1.

AlphaFold DB , UniProt , Accession Q9Y5K5, Species HUMAN (Homo sapiens, Human), Gene UCHL5, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.7Very low63.1Low245 Ų24590.3 Ų90.3100%1.20755%0.553SS**  055.30-67.4-136.1-109.300110.4G3M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.28Å
2T29.7Very low64.9Low149 Ų14988.8 Ų88.891%0.91454%0.535SS*.  trans-93.864.6170.947.30000107.7N4T2-N4 PolarHBondContact O-N 3.4Å
3G34.8Very low66.7Low65 Ų6584 Ų8467%0.6751%0.509SS*.  trans-77.7116.517600000109.1M1 A5M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.28Å; G3-A5 PolarHBondContact O-N 3.3Å
4N49.1Very low68.5Low105 Ų10579.6 Ų79.656%0.56148%0.481SS*.  trans34.256.9155-78.8-8.4000116.9T2 G6 E7T2-N4 PolarHBondContact O-N 3.4Å; N4-G6 PolarHBondContact O-N 3.18Å; N4-E7 HydrophobicContact CB-CB 3.92Å; N4-E7 PolarHBondContact ND2-OE2 2.73Å; N4-E7 PolarHBondContact O-N 2.69Å
5A48Very low70.3Confident108 Ų10875 Ų7589%0.89345%0.453SS*.THydrogen-bonded Turntrans-69.977.517700000110.4G3G3-A5 PolarHBondContact O-N 3.3Å
6G65.3Low71.7Confident34 Ų3470.4 Ų70.435%0.35143%0.426SS..THydrogen-bonded Turntrans146.4-16.2178.300000115N4N4-G6 PolarHBondContact O-N 3.18Å
7E85.3Confident73Confident105 Ų10566.5 Ų66.549%0.49140%0.402SS..PPolyproline II helixtrans-81.3149.4-173.9-150.8170.9-156.200112.3N4 N141N4-E7 HydrophobicContact CB-CB 3.92Å; N4-E7 PolarHBondContact ND2-OE2 2.73Å; N4-E7 PolarHBondContact O-N 2.69Å; E7-N141 PolarHBondContact O-ND2 3.2Å
8W90.2Very high74.3Confident2 Ų262.8 Ų62.81%0.00838%0.38CS..PPolyproline II helixtrans-103134.5173.2-71.670.7000109.1I84 N86 A87 T90 S131 I136 R137 H140W8-I84 HydrophobicContact CB-CG2 4.05Å; W8-I84 VanDerWaalsContact CD1-CD1 3.49Å; W8-I84 HydrophobicContact CG-CD1 4.48Å; W8-I84 HydrophobicContact CG-CG2 4.15Å; W8-N86 HydrophobicContact CB-CB 3.92Å; W8-N86 WeakPolarHBondContact O-CB 3.46Å; W8-N86 PolarHBondContact O-ND2 3.03Å; W8-A87 HydrophobicContact CD2-CB 3.61Å; W8-A87 HydrophobicContact CE3-CB 3.52Å; W8-A87 HydrophobicContact CG-CB 4.09Å; W8-A87 HydrophobicContact CH2-CB 4.37Å; W8-A87 HydrophobicContact CZ2-CB 4.45Å; W8-A87 HydrophobicContact CZ3-CB 3.93Å; W8-T90 HydrophobicContact CH2-CG2 4.16Å; W8-T90 HydrophobicContact CZ3-CG2 3.95Å; W8-S131 PolarHBondContact NE1-O 3.43Å; W8-S131 VanDerWaalsContact NE1-O 3.14Å; W8-I136 HydrophobicContact CH2-CG2 3.91Å; W8-R137 HydrophobicContact CD2-CG 4.05Å; W8-R137 HydrophobicContact CG-CG 4.33Å; W8-R137 HydrophobicContact CH2-CB 4.19Å; W8-R137 HydrophobicContact CZ2-CB 3.72Å; W8-R137 HydrophobicContact CZ2-CG 4.04Å; W8-R137 VanDerWaalsContact NE1-CD 3.31Å; W8-H140 HydrophobicContact CE3-CB 3.98Å; W8-H140 AromaticContact CE3-CD2 3.72Å; W8-H140 AromaticContact CE3-CE1 3.68Å; W8-H140 AromaticContact CE3-CG 3.46Å; W8-H140 VanDerWaalsContact CE3-CG 3.46Å; W8-H140 AromaticContact CE3-ND1 3.43Å; W8-H140 AromaticContact CE3-NE2 3.86Å; W8-H140 HydrophobicContact CZ3-CB 3.68Å; W8-H140 AromaticContact CZ3-CG 3.57Å; W8-H140 AromaticContact CZ3-ND1 3.48Å; W8-H140 WeakPolarHBondContact CZ3-ND1 3.48Å
9C88.2Confident75.5Confident37 Ų3759.5 Ų59.525%0.2536%0.36CS..PPolyproline II helixtrans-84.6154.7179.9-62.90000112.3M11 H140 N141 A144C9-M11 PolarHBondContact O-N 3.41Å; C9-H140 PolarHBondContact O-NE2 2.85Å; C9-N141 PolarHBondContact N-OD1 2.82Å; C9-A144 HydrophobicContact CB-CB 3.36Å; C9-A144 VanDerWaalsContact SG-CB 3.51Å
10L85Confident76.4Confident127 Ų12758.9 Ų58.967%0.66535%0.353SS*.PPolyproline II helixtrans-71132.4169.5-168.571000109.7
11M84.3Confident77.3Confident16 Ų1656.1 Ų56.18%0.07934%0.337CS..PPolyproline II helixtrans-102.9139.1179.4-162.7174.2-62.700111.3C9 V17 F18 L21 A89 H140C9-M11 PolarHBondContact O-N 3.41Å; M11-V17 HydrophobicContact CG-CG1 3.88Å; M11-V17 HydrophobicContact SD-CG1 3.78Å; M11-F18 HydrophobicContact CG-CE1 4.26Å; M11-F18 HydrophobicContact SD-CD1 4.11Å; M11-F18 HydrophobicContact SD-CE1 3.81Å; M11-L21 HydrophobicContact CE-CD1 3.98Å; M11-L21 HydrophobicContact CE-CD2 3.86Å; M11-L21 HydrophobicContact SD-CD2 3.97Å; M11-A89 HydrophobicContact CB-CB 4.04Å; M11-A89 HydrophobicContact SD-CB 4.11Å; M11-H140 HydrophobicContact CE-CB 4.32Å; M11-H140 VanDerWaalsContact CE-CE1 3.44Å; M11-H140 WeakPolarHBondContact CE-CE1 3.44Å; M11-H140 WeakPolarHBondContact CE-ND1 3.45Å
12E85Confident80.3Confident72 Ų7244.4 Ų44.434%0.33628%0.279SS..PPolyproline II helixtrans-73.3138.5172-176.7168-157.500110.5D14 R145 R288E12-D14 VanDerWaalsContact C-N 3.32Å; E12-D14 HydrophobicContact CG-CB 4.33Å; E12-D14 PolarHBondContact O-N 3.28Å; E12-R145 IonicContact OE1-CZ 3.95Å; E12-R145 IonicContact OE1-NH2 3.45Å; E12-R145 PolarHBondContact OE1-NH2 3.05Å; E12-R145 IonicContact OE2-CZ 3.83Å; E12-R145 IonicContact OE2-NE 3.74Å; E12-R145 PolarHBondContact OE2-NE 3.18Å; E12-R145 IonicContact OE2-NH2 3.15Å; E12-R145 PolarHBondContact OE2-NH2 3.02Å; E12-R288 IonicContact OE2-NE 3.27Å
13S88.3Confident83.5Confident27 Ų2740.8 Ų40.819%0.18925%0.251CS..  trans-76.584175.6-1600000109.7N219 M221S13-N219 PolarHBondContact OG-OD1 3.33Å; S13-M221 WeakPolarHBondContact OG-CE 3.42Å
14D92.4Very high86.4Confident22 Ų2239.6 Ų39.612%0.11824%0.238CC..  trans-134.4128.7-176.1178.7-81.7000110.2E12 G16 V17 F18 R288E12-D14 VanDerWaalsContact C-N 3.32Å; E12-D14 HydrophobicContact CG-CB 4.33Å; E12-D14 PolarHBondContact O-N 3.28Å; D14-G16 VanDerWaalsContact C-N 3.26Å; D14-G16 PolarHBondContact O-N 2.98Å; D14-G16 VanDerWaalsContact OD1-CA 3.24Å; D14-G16 WeakPolarHBondContact OD1-CA 3.05Å; D14-G16 PolarHBondContact OD1-N 3.1Å; D14-V17 HydrophobicContact CB-CB 4.06Å; D14-V17 HydrophobicContact CB-CG2 3.84Å; D14-V17 PolarHBondContact O-N 3.49Å; D14-V17 PolarHBondContact OD1-N 3.02Å; D14-F18 WeakPolarHBondContact O-CD1 3.48Å; D14-F18 PolarHBondContact O-N 2.86Å; D14-R288 VanDerWaalsContact CG-NH2 3.34Å; D14-R288 IonicContact OD1-CZ 2.73Å; D14-R288 IonicContact OD1-NH1 3.63Å; D14-R288 IonicContact OD1-NH2 3.73Å; D14-R288 IonicContact OD2-CZ 3.14Å; D14-R288 IonicContact OD2-NH2 2.66Å; D14-R288 PolarHBondContact OD2-NH2 2.83Å
15P94.9Very high88.7Confident11 Ų1134.6 Ų34.67%0.07121%0.211CC..Hα-helixtrans-64-31.3-176.826.2-36.1000112.6T19 V32 E34 M221P15-T19 VanDerWaalsContact O-CB 3.23Å; P15-T19 WeakPolarHBondContact O-CB 3.43Å; P15-T19 PolarHBondContact O-N 3.41Å; P15-T19 PolarHBondContact O-OG1 3.17Å; P15-V32 HydrophobicContact CB-CG1 4.31Å; P15-V32 WeakPolarHBondContact CB-O 3.38Å; P15-E34 HydrophobicContact CB-CB 4.42Å; P15-E34 HydrophobicContact CG-CB 4.05Å; P15-M221 HydrophobicContact CB-SD 4.45Å
16G93.6Very high91.1Very high2 Ų230.9 Ų30.92%0.02118%0.183CC..Hα-helixtrans-70.1-41.2176.200000112.3D14 E20 Y281D14-G16 VanDerWaalsContact C-N 3.26Å; D14-G16 PolarHBondContact O-N 2.98Å; D14-G16 VanDerWaalsContact OD1-CA 3.24Å; D14-G16 WeakPolarHBondContact OD1-CA 3.05Å; D14-G16 PolarHBondContact OD1-N 3.1Å; G16-E20 WeakPolarHBondContact O-CG 3.37Å; G16-E20 PolarHBondContact O-N 3.32Å; G16-E20 VanDerWaalsContact O-N 3.08Å; G16-Y281 VanDerWaalsContact CA-CD2 3.43Å; G16-Y281 VanDerWaalsContact CA-CG 3.47Å
17V93.8Very high92.7Very high3 Ų329.3 Ų29.32%0.01817%0.167CC..Hα-helixtrans-61.2-48.3172.5174.90000110.3M11 D14 T19 E20 L21 F143M11-V17 HydrophobicContact CG-CG1 3.88Å; M11-V17 HydrophobicContact SD-CG1 3.78Å; D14-V17 HydrophobicContact CB-CB 4.06Å; D14-V17 HydrophobicContact CB-CG2 3.84Å; D14-V17 PolarHBondContact O-N 3.49Å; D14-V17 PolarHBondContact OD1-N 3.02Å; V17-T19 PolarHBondContact O-N 3.41Å; V17-E20 PolarHBondContact O-N 3.13Å; V17-L21 VanDerWaalsContact O-CB 3.32Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 PolarHBondContact O-N 2.91Å; V17-F143 HydrophobicContact CG1-CB 3.98Å; V17-F143 HydrophobicContact CG1-CD1 4.44Å; V17-F143 HydrophobicContact CG1-CG 4.38Å
18F96.1Very high93.3Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-66.9-39.9-177.6-80.434.3000111.7M11 D14 E20 L21 I22 V32 I53 A89 I93 F165 M221M11-F18 HydrophobicContact CG-CE1 4.26Å; M11-F18 HydrophobicContact SD-CD1 4.11Å; M11-F18 HydrophobicContact SD-CE1 3.81Å; D14-F18 WeakPolarHBondContact O-CD1 3.48Å; D14-F18 PolarHBondContact O-N 2.86Å; F18-E20 PolarHBondContact O-N 2.99Å; F18-L21 WeakPolarHBondContact O-CB 3.46Å; F18-L21 PolarHBondContact O-N 3.03Å; F18-I22 WeakPolarHBondContact O-CG1 3.43Å; F18-I22 PolarHBondContact O-N 3.32Å; F18-V32 HydrophobicContact CB-CB 3.95Å; F18-V32 HydrophobicContact CB-CG1 4.01Å; F18-V32 HydrophobicContact CB-CG2 3.7Å; F18-V32 HydrophobicContact CD2-CG1 4.48Å; F18-I53 HydrophobicContact CD2-CD1 4.21Å; F18-I53 HydrophobicContact CE2-CD1 4.15Å; F18-I53 HydrophobicContact CE2-CG2 4.28Å; F18-A89 HydrophobicContact CE1-CB 4.1Å; F18-A89 HydrophobicContact CZ-CB 3.68Å; F18-I93 HydrophobicContact CB-CD1 4.2Å; F18-I93 HydrophobicContact CD1-CD1 4.36Å; F18-I93 HydrophobicContact CD2-CD1 3.53Å; F18-I93 HydrophobicContact CD2-CG1 3.85Å; F18-I93 HydrophobicContact CE2-CD1 3.86Å; F18-I93 HydrophobicContact CE2-CG1 4.07Å; F18-I93 HydrophobicContact CG-CD1 3.79Å; F18-I93 HydrophobicContact CZ-CD1 4.42Å; F18-F165 HydrophobicContact CE2-CE1 4.27Å; F18-F165 AromaticContact CZ-CE1 3.88Å; F18-F165 HydrophobicContact CZ-CE1 3.88Å; F18-F165 AromaticContact CZ-CZ 3.86Å; F18-F165 HydrophobicContact CZ-CZ 3.86Å; F18-M221 HydrophobicContact CD2-CE 3.54Å; F18-M221 HydrophobicContact CD2-SD 3.9Å; F18-M221 HydrophobicContact CE1-CE 4.27Å; F18-M221 HydrophobicContact CE2-CE 3.27Å; F18-M221 HydrophobicContact CE2-SD 4.25Å; F18-M221 HydrophobicContact CG-CE 4.19Å; F18-M221 HydrophobicContact CG-SD 4.17Å; F18-M221 HydrophobicContact CZ-CE 3.67Å
19T96.5Very high93.6Very high1 Ų132.8 Ų32.81%0.00618%0.179CC..Hα-helixtrans-59.5-47.2174.9-64.80000111.6P15 V17 L21 I22 K23 Q31 V32 L278P15-T19 VanDerWaalsContact O-CB 3.23Å; P15-T19 WeakPolarHBondContact O-CB 3.43Å; P15-T19 PolarHBondContact O-N 3.41Å; P15-T19 PolarHBondContact O-OG1 3.17Å; V17-T19 PolarHBondContact O-N 3.41Å; T19-L21 VanDerWaalsContact C-N 3.32Å; T19-I22 PolarHBondContact O-N 3.44Å; T19-K23 WeakPolarHBondContact O-CG 3.43Å; T19-K23 PolarHBondContact O-N 3.01Å; T19-Q31 HydrophobicContact CG2-CB 3.95Å; T19-V32 PolarHBondContact OG1-N 3.39Å; T19-V32 PolarHBondContact OG1-O 3.3Å; T19-L278 HydrophobicContact CG2-CD2 4.46Å
20E94.2Very high94.1Very high47 Ų4731.1 Ų31.122%0.2217%0.168CC..Hα-helixtrans-72-28.7179.3-66.6-67.7110.700112.1G16 V17 F18 K23 G24 F143G16-E20 WeakPolarHBondContact O-CG 3.37Å; G16-E20 PolarHBondContact O-N 3.32Å; G16-E20 VanDerWaalsContact O-N 3.08Å; V17-E20 PolarHBondContact O-N 3.13Å; F18-E20 PolarHBondContact O-N 2.99Å; E20-K23 PolarHBondContact O-N 3.47Å; E20-K23 WeakPolarHBondContact OE1-CD 3.36Å; E20-K23 IonicContact OE1-NZ 2.62Å; E20-K23 PolarHBondContact OE1-NZ 2.97Å; E20-G24 PolarHBondContact O-N 3.42Å; E20-F143 HydrophobicContact CB-CD1 4.49Å; E20-F143 HydrophobicContact CB-CE1 3.45Å; E20-F143 VanDerWaalsContact CB-CE1 3.45Å; E20-F143 HydrophobicContact CB-CZ 3.68Å; E20-F143 WeakPolarHBondContact O-CZ 3.3Å
21L95Very high94.7Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-64.5-47.4172.8-169.378000111.6M11 V17 F18 T19 K23 G24 F25 I93 V139 H140 F143M11-L21 HydrophobicContact CE-CD1 3.98Å; M11-L21 HydrophobicContact CE-CD2 3.86Å; M11-L21 HydrophobicContact SD-CD2 3.97Å; V17-L21 VanDerWaalsContact O-CB 3.32Å; V17-L21 WeakPolarHBondContact O-CB 3.44Å; V17-L21 PolarHBondContact O-N 2.91Å; F18-L21 WeakPolarHBondContact O-CB 3.46Å; F18-L21 PolarHBondContact O-N 3.03Å; T19-L21 VanDerWaalsContact C-N 3.32Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.1Å; L21-G24 CarbonylContact O-C 3.5Å; L21-G24 WeakPolarHBondContact O-CA 3.26Å; L21-G24 PolarHBondContact O-N 3.06Å; L21-F25 HydrophobicContact CD1-CE1 4.23Å; L21-F25 HydrophobicContact CD1-CE2 4.47Å; L21-F25 HydrophobicContact CD1-CZ 3.87Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CD2-CZ 3.63Å; L21-F25 HydrophobicContact CG-CD2 4.41Å; L21-F25 HydrophobicContact CG-CE1 4.22Å; L21-F25 HydrophobicContact CG-CE2 3.63Å; L21-F25 HydrophobicContact CG-CZ 3.5Å; L21-F25 VanDerWaalsContact CG-CZ 3.5Å; L21-F25 WeakPolarHBondContact O-CD2 3.27Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 3.08Å; L21-I93 HydrophobicContact CD2-CD1 3.52Å; L21-V139 HydrophobicContact CD1-CG1 3.8Å; L21-H140 HydrophobicContact CD1-CB 4.47Å; L21-F143 HydrophobicContact CB-CD2 4.42Å; L21-F143 HydrophobicContact CB-CE2 4.37Å; L21-F143 HydrophobicContact CD1-CD2 3.5Å; L21-F143 VanDerWaalsContact CD1-CD2 3.5Å; L21-F143 HydrophobicContact CD1-CE2 3.87Å; L21-F143 HydrophobicContact CD1-CG 4.45Å
22I97.6Very high95.4Very high0 Ų024.6 Ų24.60%013%0.134CC..Hα-helixtrans-56-47.1175.7-70178.2000110.4F18 T19 G24 F25 C27 V32 I93 L97 I223F18-I22 WeakPolarHBondContact O-CG1 3.43Å; F18-I22 PolarHBondContact O-N 3.32Å; T19-I22 PolarHBondContact O-N 3.44Å; I22-G24 VanDerWaalsContact C-N 3.32Å; I22-G24 PolarHBondContact O-N 3.01Å; I22-F25 PolarHBondContact O-N 3.47Å; I22-C27 HydrophobicContact CG2-CB 3.65Å; I22-C27 WeakPolarHBondContact O-CB 3.35Å; I22-C27 PolarHBondContact O-N 2.75Å; I22-V32 HydrophobicContact CD1-CG2 3.49Å; I22-V32 VanDerWaalsContact CD1-CG2 3.49Å; I22-I93 HydrophobicContact CD1-CG2 4.04Å; I22-I93 HydrophobicContact CG1-CG2 3.59Å; I22-L97 HydrophobicContact CG1-CD1 4.16Å; I22-L97 HydrophobicContact CG2-CD1 4.18Å; I22-I223 HydrophobicContact CD1-CD1 4.11Å; I22-I223 HydrophobicContact CD1-CG1 4.17Å; I22-I223 HydrophobicContact CD1-CG2 4.44Å
23K96.3Very high96Very high73 Ų7322 Ų2232%0.31712%0.122SC..Hα-helixtrans-62.7-39.6175.2-67.2176.7-167.2165.60112.2T19 E20 L21 F25 G26T19-K23 WeakPolarHBondContact O-CG 3.43Å; T19-K23 PolarHBondContact O-N 3.01Å; E20-K23 PolarHBondContact O-N 3.47Å; E20-K23 WeakPolarHBondContact OE1-CD 3.36Å; E20-K23 IonicContact OE1-NZ 2.62Å; E20-K23 PolarHBondContact OE1-NZ 2.97Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.1Å; K23-F25 VanDerWaalsContact C-N 3.27Å; K23-F25 PolarHBondContact O-N 3.47Å; K23-G26 WeakPolarHBondContact O-CA 3.37Å; K23-G26 PolarHBondContact O-N 3.34Å
24G95.8Very high96.3Very high39 Ų3923 Ų2340%0.40212%0.124SC..Hα-helixtrans-62.1-31.917700000113.3E20 L21 I22 G26 V139E20-G24 PolarHBondContact O-N 3.42Å; L21-G24 CarbonylContact O-C 3.5Å; L21-G24 WeakPolarHBondContact O-CA 3.26Å; L21-G24 PolarHBondContact O-N 3.06Å; I22-G24 VanDerWaalsContact C-N 3.32Å; I22-G24 PolarHBondContact O-N 3.01Å; G24-G26 PolarHBondContact O-N 3.41Å; G24-V139 WeakPolarHBondContact O-CG2 3.46Å
25F97.3Very high96.3Very high1 Ų122.7 Ų22.70%0.00412%0.122CC..THydrogen-bonded Turntrans-71.4-7.9171.3-60.3-37.8000113.5L21 I22 K23 T90 I93 T110 L111 I136 V139L21-F25 HydrophobicContact CD1-CE1 4.23Å; L21-F25 HydrophobicContact CD1-CE2 4.47Å; L21-F25 HydrophobicContact CD1-CZ 3.87Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CD2-CZ 3.63Å; L21-F25 HydrophobicContact CG-CD2 4.41Å; L21-F25 HydrophobicContact CG-CE1 4.22Å; L21-F25 HydrophobicContact CG-CE2 3.63Å; L21-F25 HydrophobicContact CG-CZ 3.5Å; L21-F25 VanDerWaalsContact CG-CZ 3.5Å; L21-F25 WeakPolarHBondContact O-CD2 3.27Å; L21-F25 WeakPolarHBondContact O-CG 3.46Å; L21-F25 PolarHBondContact O-N 3.08Å; I22-F25 PolarHBondContact O-N 3.47Å; K23-F25 VanDerWaalsContact C-N 3.27Å; K23-F25 PolarHBondContact O-N 3.47Å; F25-T90 HydrophobicContact CE1-CG2 4.49Å; F25-T90 HydrophobicContact CE2-CG2 4.22Å; F25-T90 HydrophobicContact CZ-CG2 3.64Å; F25-I93 HydrophobicContact CE2-CG2 4.38Å; F25-T110 WeakPolarHBondContact O-CB 3.47Å; F25-L111 HydrophobicContact CB-CD1 3.98Å; F25-L111 HydrophobicContact CB-CD2 4.19Å; F25-L111 HydrophobicContact CB-CG 3.98Å; F25-L111 HydrophobicContact CG-CD2 4.41Å; F25-I136 HydrophobicContact CD1-CG2 4.36Å; F25-I136 HydrophobicContact CE1-CB 4.28Å; F25-I136 HydrophobicContact CE1-CG2 3.64Å; F25-I136 HydrophobicContact CZ-CG2 4Å; F25-V139 HydrophobicContact CD1-CB 3.85Å; F25-V139 HydrophobicContact CD1-CG1 3.56Å; F25-V139 HydrophobicContact CD1-CG2 4.33Å; F25-V139 HydrophobicContact CE1-CB 3.75Å; F25-V139 HydrophobicContact CE1-CG1 3.55Å; F25-V139 HydrophobicContact CG-CG1 4.44Å; F25-V139 HydrophobicContact CZ-CG1 4.45Å
26G97.7Very high96Very high29 Ų2931.4 Ų31.430%0.29915%0.153SC..THydrogen-bonded Turntrans90.70.5-175.800000113.9K23 G24 G108K23-G26 WeakPolarHBondContact O-CA 3.37Å; K23-G26 PolarHBondContact O-N 3.34Å; G24-G26 PolarHBondContact O-N 3.41Å; G26-G108 WeakPolarHBondContact O-CA 3.33Å
27C98.4Very high95.8Very high1 Ų133.4 Ų33.41%0.00717%0.167CC..  trans-72.9137.8177.4-177.30000110.7I22 L97 H106 L107 L111I22-C27 HydrophobicContact CG2-CB 3.65Å; I22-C27 WeakPolarHBondContact O-CB 3.35Å; I22-C27 PolarHBondContact O-N 2.75Å; C27-L97 HydrophobicContact CB-CD1 4.32Å; C27-H106 CarbonylContact C-O 3.53Å; C27-H106 VanDerWaalsContact CA-O 3.26Å; C27-H106 WeakPolarHBondContact CA-O 3.33Å; C27-L107 WeakPolarHBondContact CA-O 3.48Å; C27-L107 PolarHBondContact N-O 3.28Å; C27-L111 HydrophobicContact CB-CD1 4.07Å
28R98.1Very high95.6Very high169 Ų16934.7 Ų34.764%0.63817%0.173SC*.BIsolated β-bridgetrans-128.3155.7-177.3-60.2-178.1-65.8-129.6-0.4111.3A30 H106R28-A30 VanDerWaalsContact C-N 3.31Å; R28-H106 HydrophobicContact CB-CB 4.41Å; R28-H106 PolarHBondContact N-O 3.04Å; R28-H106 PolarHBondContact O-N 3.3Å
29G97.7Very high95.4Very high12 Ų1239.8 Ų39.812%0.12420%0.197CC..SBendtrans79.89.2176.400000114.9D104 S225 D226G29-D104 WeakPolarHBondContact CA-O 3.23Å; G29-S225 CarbonylContact O-C 3.59Å; G29-S225 WeakPolarHBondContact O-CA 3.37Å; G29-D226 PolarHBondContact O-N 3.05Å
30A98.4Very high95.2Very high2 Ų242.8 Ų42.82%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-129.2149173.300000111.6R28 V105 I223 V224R28-A30 VanDerWaalsContact C-N 3.31Å; A30-V105 HydrophobicContact CB-CG2 4.29Å; A30-I223 HydrophobicContact CB-CG2 4.17Å; A30-V224 CarbonylContact C-O 3.26Å; A30-V224 WeakPolarHBondContact CA-O 3.49Å
31Q97.9Very high95Very high5 Ų547.1 Ų47.12%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-137.3168.817169.3-171.965.300110.9T19 E33 I223 V224 R227 E274T19-Q31 HydrophobicContact CG2-CB 3.95Å; Q31-E33 PolarHBondContact NE2-OE1 3.04Å; Q31-I223 WeakPolarHBondContact O-CA 3.42Å; Q31-V224 HydrophobicContact CG-CG2 3.74Å; Q31-V224 PolarHBondContact N-O 3.48Å; Q31-V224 PolarHBondContact O-N 2.89Å; Q31-R227 HydrophobicContact CG-CG 4.34Å; Q31-R227 VanDerWaalsContact NE2-CG 3.33Å; Q31-E274 PolarHBondContact NE2-OE2 3.4Å
32V98.1Very high94.9Very high1 Ų149.7 Ų49.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-111.4130.6177.9-173.20000110P15 F18 T19 I22 M221 A222 I223P15-V32 HydrophobicContact CB-CG1 4.31Å; P15-V32 WeakPolarHBondContact CB-O 3.38Å; F18-V32 HydrophobicContact CB-CB 3.95Å; F18-V32 HydrophobicContact CB-CG1 4.01Å; F18-V32 HydrophobicContact CB-CG2 3.7Å; F18-V32 HydrophobicContact CD2-CG1 4.48Å; T19-V32 PolarHBondContact OG1-N 3.39Å; T19-V32 PolarHBondContact OG1-O 3.3Å; I22-V32 HydrophobicContact CD1-CG2 3.49Å; I22-V32 VanDerWaalsContact CD1-CG2 3.49Å; V32-M221 HydrophobicContact CG1-CB 3.7Å; V32-M221 HydrophobicContact CG1-CG 4.03Å; V32-M221 HydrophobicContact CG1-SD 3.84Å; V32-A222 VanDerWaalsContact CA-O 3.32Å; V32-A222 WeakPolarHBondContact CA-O 3.37Å; V32-I223 HydrophobicContact CG2-CG1 3.98Å
33E96.8Very high94.7Very high17 Ų1749.9 Ų49.98%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-117145.9173.2-63.6-66.6167.300110.2Q31 L46 M221 A222 V224 K277Q31-E33 PolarHBondContact NE2-OE1 3.04Å; E33-L46 HydrophobicContact CB-CD1 4.26Å; E33-L46 HydrophobicContact CB-CD2 4.3Å; E33-L46 HydrophobicContact CG-CD2 3.91Å; E33-M221 CarbonylContact O-C 3.57Å; E33-M221 VanDerWaalsContact O-CA 3.22Å; E33-M221 WeakPolarHBondContact O-CA 3.5Å; E33-A222 PolarHBondContact N-O 3.33Å; E33-A222 PolarHBondContact O-N 3.06Å; E33-V224 HydrophobicContact CG-CG2 3.87Å; E33-K277 VanDerWaalsContact CD-NZ 3.26Å; E33-K277 IonicContact OE1-NZ 3.46Å; E33-K277 PolarHBondContact OE1-NZ 3.28Å; E33-K277 IonicContact OE2-NZ 2.69Å; E33-K277 PolarHBondContact OE2-NZ 2.99Å
34E95.3Very high94.5Very high49 Ų4951.8 Ų51.823%0.22926%0.262CS..EExtended strand (participates in β ladder)trans-85.1139.9172-171.1173.7-147.400110.4P15 W36 N219P15-E34 HydrophobicContact CB-CB 4.42Å; P15-E34 HydrophobicContact CG-CB 4.05Å; E34-W36 HydrophobicContact CB-CH2 4.48Å; E34-W36 HydrophobicContact CB-CZ2 3.85Å; E34-W36 HydrophobicContact CG-CZ2 4.25Å; E34-W36 WeakPolarHBondContact OE2-CZ2 3.31Å; E34-W36 PolarHBondContact OE2-NE1 3.47Å; E34-N219 PolarHBondContact OE1-ND2 3.13Å
35I93.6Very high94.3Very high15 Ų1556.8 Ų56.88%0.07727%0.272CS..  trans-108.9106.1-179-52.3-58.9000108.9S37 F43 L46 L220 A222I35-S37 VanDerWaalsContact CG2-O 3.23Å; I35-S37 WeakPolarHBondContact CG2-O 3.37Å; I35-F43 HydrophobicContact CD1-CD1 4.49Å; I35-F43 HydrophobicContact CD1-CE1 4.22Å; I35-F43 HydrophobicContact CG1-CE1 4.19Å; I35-F43 HydrophobicContact CG2-CE1 4.09Å; I35-F43 HydrophobicContact CG2-CE2 4.22Å; I35-F43 HydrophobicContact CG2-CZ 3.7Å; I35-L46 HydrophobicContact CD1-CD1 3.25Å; I35-L220 HydrophobicContact CB-CB 4.15Å; I35-L220 HydrophobicContact CB-CD2 3.87Å; I35-L220 HydrophobicContact CB-CG 3.86Å; I35-L220 HydrophobicContact CG1-CD2 4.35Å; I35-L220 HydrophobicContact CG1-CG 4.12Å; I35-L220 HydrophobicContact CG2-CD2 3.82Å; I35-L220 HydrophobicContact CG2-CG 4.39Å; I35-L220 PolarHBondContact N-O 3.35Å; I35-A222 HydrophobicContact CD1-CB 3.79Å; I35-A222 HydrophobicContact CG1-CB 3.99Å
36W87.2Confident94.2Very high194 Ų19458 Ų5874%0.73528%0.279SS*.  trans-90.2-14.7179.7-55.3-70.4000114.4E34E34-W36 HydrophobicContact CB-CH2 4.48Å; E34-W36 HydrophobicContact CB-CZ2 3.85Å; E34-W36 HydrophobicContact CG-CZ2 4.25Å; E34-W36 WeakPolarHBondContact OE2-CZ2 3.31Å; E34-W36 PolarHBondContact OE2-NE1 3.47Å
37S90.4Very high94Very high44 Ų4459.2 Ų59.231%0.30828%0.276SS..  trans-143138.8179.31780000109.8I35 E39I35-S37 VanDerWaalsContact CG2-O 3.23Å; I35-S37 WeakPolarHBondContact CG2-O 3.37Å; S37-E39 PolarHBondContact O-N 2.86Å; S37-E39 WeakPolarHBondContact OG-CG 3.47Å; S37-E39 PolarHBondContact OG-N 3.3Å
38L89.2Confident93.9Very high29 Ų2960.9 Ų60.915%0.15229%0.287CS..  trans-82.40.4176.8-64.6179.8000112.8F43 R201 I204 E205 I208 L220L38-F43 HydrophobicContact CD2-CE2 4.24Å; L38-F43 HydrophobicContact CD2-CZ 4.04Å; L38-R201 WeakPolarHBondContact O-CD 3.4Å; L38-R201 PolarHBondContact O-NE 3.3Å; L38-R201 PolarHBondContact O-NH2 2.87Å; L38-R201 VanDerWaalsContact O-NH2 3.16Å; L38-I204 HydrophobicContact CD1-CB 4.49Å; L38-I204 HydrophobicContact CD1-CG2 3.9Å; L38-I204 HydrophobicContact CD2-CG2 4.15Å; L38-E205 HydrophobicContact CD1-CG 3.57Å; L38-I208 HydrophobicContact CD1-CD1 3.83Å; L38-L220 HydrophobicContact CD2-CD2 3.37Å
39E91.5Very high93.9Very high107 Ų10753.4 Ų53.450%0.526%0.26SS..  trans-60.9143.2178.2-67.3-52.9146.100112.3S37 E41 N42 R201S37-E39 PolarHBondContact O-N 2.86Å; S37-E39 WeakPolarHBondContact OG-CG 3.47Å; S37-E39 PolarHBondContact OG-N 3.3Å; E39-E41 VanDerWaalsContact C-N 3.25Å; E39-E41 PolarHBondContact O-N 2.98Å; E39-N42 PolarHBondContact O-N 2.92Å; E39-N42 VanDerWaalsContact O-N 3.1Å; E39-R201 IonicContact OE2-NH2 2.74Å
40P92.1Very high93.9Very high64 Ų6453.5 Ų53.542%0.41626%0.257SS..Hα-helixtrans-64.1-31.5-169.918.3-18.8000112.7N42 F43 E44P40-N42 PolarHBondContact O-N 3.39Å; P40-F43 PolarHBondContact O-N 3.5Å; P40-F43 VanDerWaalsContact O-N 3.15Å; P40-E44 PolarHBondContact O-N 3.38Å
41E91.5Very high93.9Very high138 Ų13853.4 Ų53.465%0.64526%0.256SS*.Hα-helixtrans-60.1-30.4177.8-60.5173.8-169.100113.3E39E39-E41 VanDerWaalsContact C-N 3.25Å; E39-E41 PolarHBondContact O-N 2.98Å
42N91.4Very high93.9Very high55 Ų5553.2 Ų53.229%0.29426%0.255SS..Hα-helixtrans-72.9-36178.6-85.637.4000111.5E39 P40 L46E39-N42 PolarHBondContact O-N 2.92Å; E39-N42 VanDerWaalsContact O-N 3.1Å; P40-N42 PolarHBondContact O-N 3.39Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å
43F93Very high93.9Very high3 Ų353.2 Ų53.21%0.01326%0.255CS..Hα-helixtrans-78.1-32.9176.1-68.9-85000112.6I35 L38 P40 K45 L46 K47 L52 I197 R201 L220I35-F43 HydrophobicContact CD1-CD1 4.49Å; I35-F43 HydrophobicContact CD1-CE1 4.22Å; I35-F43 HydrophobicContact CG1-CE1 4.19Å; I35-F43 HydrophobicContact CG2-CE1 4.09Å; I35-F43 HydrophobicContact CG2-CE2 4.22Å; I35-F43 HydrophobicContact CG2-CZ 3.7Å; L38-F43 HydrophobicContact CD2-CE2 4.24Å; L38-F43 HydrophobicContact CD2-CZ 4.04Å; P40-F43 PolarHBondContact O-N 3.5Å; P40-F43 VanDerWaalsContact O-N 3.15Å; F43-K45 VanDerWaalsContact C-N 3.26Å; F43-K45 PolarHBondContact O-N 2.98Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.3Å; F43-L46 PolarHBondContact O-N 2.89Å; F43-K47 PolarHBondContact O-N 3.19Å; F43-L52 HydrophobicContact CE1-CD1 4.14Å; F43-L52 HydrophobicContact CE1-CD2 3.95Å; F43-I197 HydrophobicContact CB-CG1 4.35Å; F43-I197 HydrophobicContact CB-CG2 3.73Å; F43-I197 HydrophobicContact CD1-CD1 3.99Å; F43-I197 HydrophobicContact CD1-CG1 4.3Å; F43-I197 HydrophobicContact CD1-CG2 3.79Å; F43-I197 HydrophobicContact CD2-CG2 3.7Å; F43-I197 HydrophobicContact CE1-CD1 4.39Å; F43-I197 HydrophobicContact CE1-CG2 4.28Å; F43-I197 HydrophobicContact CE2-CG2 4.17Å; F43-I197 HydrophobicContact CG-CG2 3.47Å; F43-I197 VanDerWaalsContact CG-CG2 3.47Å; F43-I197 HydrophobicContact CZ-CG2 4.44Å; F43-R201 HydrophobicContact CE2-CG 4.3Å; F43-L220 HydrophobicContact CZ-CD2 4.34Å
44E92.8Very high93.9Very high114 Ų11452.4 Ų52.453%0.53325%0.251SS..Hα-helixtrans-59.7-40-178.9-16759.2-148.400111.7P40 L46 K47P40-E44 PolarHBondContact O-N 3.38Å; E44-L46 PolarHBondContact O-N 2.95Å; E44-K47 PolarHBondContact O-N 2.99Å; E44-K47 IonicContact OE1-NZ 3.46Å; E44-K47 WeakPolarHBondContact OE2-CD 3.5Å; E44-K47 VanDerWaalsContact OE2-CE 3.29Å; E44-K47 WeakPolarHBondContact OE2-CE 3.26Å; E44-K47 IonicContact OE2-NZ 3.28Å; E44-K47 PolarHBondContact OE2-NZ 3.28Å
45K91.6Very high93.8Very high143 Ų14351.1 Ų51.162%0.62225%0.246SC*.THydrogen-bonded Turntrans-63.7-23.5175.7-66.6169.9-172168.10112.9F43 R227F43-K45 VanDerWaalsContact C-N 3.26Å; F43-K45 PolarHBondContact O-N 2.98Å; K45-R227 PolarHBondContact O-NH1 2.89Å; K45-R227 PolarHBondContact O-NH2 3.12Å
46L94.8Very high93.6Very high26 Ų2650.5 Ų50.514%0.13624%0.243CC..THydrogen-bonded Turntrans-97.1-9.5-174.1-65.6-177.4000113.7E33 I35 N42 F43 E44 V49 V224 R227E33-L46 HydrophobicContact CB-CD1 4.26Å; E33-L46 HydrophobicContact CB-CD2 4.3Å; E33-L46 HydrophobicContact CG-CD2 3.91Å; I35-L46 HydrophobicContact CD1-CD1 3.25Å; N42-L46 WeakPolarHBondContact O-CG 3.49Å; F43-L46 WeakPolarHBondContact O-CA 3.5Å; F43-L46 WeakPolarHBondContact O-CB 3.3Å; F43-L46 PolarHBondContact O-N 2.89Å; E44-L46 PolarHBondContact O-N 2.95Å; L46-V49 HydrophobicContact CB-CG2 4.26Å; L46-V224 HydrophobicContact CB-CG1 4.11Å; L46-R227 PolarHBondContact O-NH1 3.22Å
47K94.8Very high93.6Very high55 Ų5543.8 Ų43.824%0.23922%0.219CC..  trans-56.4142.7177.8-77.5-178.7173.71670112F43 E44 D195 R227F43-K47 PolarHBondContact O-N 3.19Å; E44-K47 PolarHBondContact O-N 2.99Å; E44-K47 IonicContact OE1-NZ 3.46Å; E44-K47 WeakPolarHBondContact OE2-CD 3.5Å; E44-K47 VanDerWaalsContact OE2-CE 3.29Å; E44-K47 WeakPolarHBondContact OE2-CE 3.26Å; E44-K47 IonicContact OE2-NZ 3.28Å; E44-K47 PolarHBondContact OE2-NZ 3.28Å; K47-D195 WeakPolarHBondContact CE-OD1 3.42Å; K47-D195 IonicContact NZ-OD1 2.86Å; K47-D195 PolarHBondContact NZ-OD1 2.93Å; K47-R227 PolarHBondContact O-NH1 3.25Å
48P96.4Very high93.5Very high37 Ų3747.1 Ų47.124%0.2423%0.225CC..SBendcis-77.8139.2-2.933-35.6000112.8S225P48-S225 VanDerWaalsContact CG-OG 3.27Å; P48-S225 WeakPolarHBondContact CG-OG 3.23Å; P48-S225 PolarHBondContact O-N 3.28Å
49V97.5Very high93.2Very high11 Ų1149.6 Ų49.67%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-105.1125.5177.6-171.90000109L46 L52 W196 I197 A222 V224L46-V49 HydrophobicContact CB-CG2 4.26Å; V49-L52 HydrophobicContact CG1-CD2 4.09Å; V49-W196 HydrophobicContact CB-CZ2 4.18Å; V49-W196 HydrophobicContact CG1-CH2 4.45Å; V49-W196 HydrophobicContact CG1-CZ2 3.81Å; V49-W196 PolarHBondContact O-NE1 3.16Å; V49-I197 HydrophobicContact CB-CD1 4.06Å; V49-I197 HydrophobicContact CG1-CD1 4.07Å; V49-I197 HydrophobicContact CG2-CD1 4.27Å; V49-A222 HydrophobicContact CG1-CB 4.04Å; V49-V224 HydrophobicContact CB-CG1 4.42Å; V49-V224 HydrophobicContact CG1-CG1 4.21Å; V49-V224 HydrophobicContact CG2-CG1 4.1Å
50H98.1Very high92.9Very high15 Ų1549.3 Ų49.37%0.06924%0.243CC..EExtended strand (participates in β ladder)trans-96.1-26.2-173.2-55.8-51.8000113.2H102 V105 I223 V224 S225H50-H102 AromaticContact CE1-CG 3.54Å; H50-H102 AromaticContact CE1-ND1 3.51Å; H50-H102 AromaticContact ND1-CG 3.87Å; H50-V105 WeakPolarHBondContact NE2-CG2 3.31Å; H50-I223 HydrophobicContact CB-CG2 4.3Å; H50-I223 PolarHBondContact N-O 2.88Å; H50-V224 VanDerWaalsContact CD2-C 3.5Å; H50-S225 PolarHBondContact CE1-OG 3.11Å; H50-S225 PolarHBondContact NE2-N 2.98Å; H50-S225 VanDerWaalsContact NE2-N 3.18Å; H50-S225 PolarHBondContact NE2-OG 3.45Å
51G98.3Very high92.4Very high0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-175.8161.5175.100000111.6Y168 I223G51-Y168 CarbonylContact C-O 3.59Å; G51-Y168 VanDerWaalsContact CA-O 3.24Å; G51-Y168 WeakPolarHBondContact CA-O 3.24Å; G51-I223 PolarHBondContact N-O 3.38Å; G51-I223 PolarHBondContact O-N 3.21Å
52L98.4Very high92Very high0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-111.4145.2172.4-62.8-179.3000109.6F43 V49 S167 Y168 W196 V200 I204 L220 M221 A222F43-L52 HydrophobicContact CE1-CD1 4.14Å; F43-L52 HydrophobicContact CE1-CD2 3.95Å; V49-L52 HydrophobicContact CG1-CD2 4.09Å; L52-S167 CarbonylContact O-C 3.48Å; L52-S167 VanDerWaalsContact O-CA 3.23Å; L52-S167 WeakPolarHBondContact O-CA 3.13Å; L52-Y168 HydrophobicContact CB-CD2 4.24Å; L52-Y168 PolarHBondContact N-O 3.01Å; L52-Y168 PolarHBondContact O-N 2.9Å; L52-W196 HydrophobicContact CB-CH2 4.43Å; L52-W196 HydrophobicContact CD1-CH2 4.39Å; L52-W196 HydrophobicContact CD1-CZ3 4.36Å; L52-W196 HydrophobicContact CG-CH2 3.77Å; L52-W196 HydrophobicContact CG-CZ3 4.21Å; L52-V200 HydrophobicContact CD1-CG1 3.64Å; L52-V200 HydrophobicContact CD1-CG2 4.34Å; L52-I204 HydrophobicContact CD1-CD1 3.56Å; L52-L220 HydrophobicContact CB-CD1 4.09Å; L52-L220 HydrophobicContact CD1-CD1 4.37Å; L52-M221 CarbonylContact C-O 3.54Å; L52-M221 WeakPolarHBondContact CA-O 3.33Å; L52-A222 HydrophobicContact CD2-CB 3.57Å
53I97.9Very high91.8Very high1 Ų150.1 Ų50.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-119.8119.9172.2-63.5176.4000107.2F18 A92 I93 V96 F165 V166 M221 I223F18-I53 HydrophobicContact CD2-CD1 4.21Å; F18-I53 HydrophobicContact CE2-CD1 4.15Å; F18-I53 HydrophobicContact CE2-CG2 4.28Å; I53-A92 HydrophobicContact CD1-CB 4.34Å; I53-A92 HydrophobicContact CG1-CB 4.38Å; I53-A92 HydrophobicContact CG2-CB 4.02Å; I53-I93 HydrophobicContact CD1-CB 4.36Å; I53-I93 HydrophobicContact CD1-CG1 3.54Å; I53-V96 HydrophobicContact CG1-CG2 4.2Å; I53-F165 HydrophobicContact CG2-CD1 3.51Å; I53-F165 HydrophobicContact CG2-CE1 4.15Å; I53-F165 HydrophobicContact CG2-CG 4.39Å; I53-V166 WeakPolarHBondContact CA-O 3.46Å; I53-M221 HydrophobicContact CB-CB 4.5Å; I53-M221 PolarHBondContact N-O 3.04Å; I53-M221 PolarHBondContact O-N 3.01Å; I53-I223 HydrophobicContact CD1-CD1 3.79Å; I53-I223 HydrophobicContact CD1-CG1 4.29Å; I53-I223 HydrophobicContact CG1-CD1 4.46Å
54F95.7Very high91.7Very high0 Ų052.4 Ų52.40%028%0.276CS..EExtended strand (participates in β ladder)trans-114.7122.5-178.6-171.9-121.7000109.8F56 F165 V166 Y168 I204 R207 I208 F218 N219 L220F54-F56 HydrophobicContact CD1-CB 4.4Å; F54-F56 AromaticContact CD1-CD1 3.43Å; F54-F56 HydrophobicContact CD1-CD1 3.43Å; F54-F56 VanDerWaalsContact CD1-CD1 3.43Å; F54-F56 HydrophobicContact CD1-CE1 4.11Å; F54-F56 HydrophobicContact CD1-CG 4.31Å; F54-F56 HydrophobicContact CE1-CB 3.91Å; F54-F56 AromaticContact CE1-CD1 3.69Å; F54-F56 HydrophobicContact CE1-CD1 3.69Å; F54-F56 HydrophobicContact CE1-CG 4.14Å; F54-F56 HydrophobicContact CG-CD1 4.38Å; F54-F56 HydrophobicContact CZ-CB 4.4Å; F54-F165 WeakPolarHBondContact O-CA 3.27Å; F54-V166 HydrophobicContact CB-CG2 3.98Å; F54-V166 HydrophobicContact CD1-CG2 4.39Å; F54-V166 PolarHBondContact N-O 3.27Å; F54-V166 PolarHBondContact O-N 2.73Å; F54-Y168 HydrophobicContact CB-CE2 3.82Å; F54-Y168 HydrophobicContact CG-CE2 4.49Å; F54-I204 HydrophobicContact CD2-CG2 4.46Å; F54-I204 HydrophobicContact CE2-CG2 4.21Å; F54-I204 HydrophobicContact CZ-CG2 4.5Å; F54-R207 HydrophobicContact CE1-CG 4.29Å; F54-I208 HydrophobicContact CE2-CD1 4.46Å; F54-I208 HydrophobicContact CE2-CG1 4.31Å; F54-I208 HydrophobicContact CZ-CD1 4.43Å; F54-I208 HydrophobicContact CZ-CG1 3.81Å; F54-F218 HydrophobicContact CE2-CB 3.93Å; F54-F218 AromaticContact CE2-CD2 3.75Å; F54-F218 HydrophobicContact CE2-CD2 3.75Å; F54-F218 HydrophobicContact CE2-CG 4.1Å; F54-F218 HydrophobicContact CZ-CB 3.94Å; F54-F218 HydrophobicContact CZ-CD2 4.28Å; F54-F218 HydrophobicContact CZ-CG 4.23Å; F54-N219 WeakPolarHBondContact CA-O 3.19Å; F54-N219 WeakPolarHBondContact CD2-O 3.38Å; F54-L220 HydrophobicContact CB-CD1 4.08Å; F54-L220 HydrophobicContact CD2-CB 4.08Å; F54-L220 HydrophobicContact CD2-CD1 3.89Å; F54-L220 HydrophobicContact CG-CD1 4.43Å
55L93.1Very high91.6Very high22 Ų2249.7 Ų49.712%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-100.9131.4172.6-177.563.4000109.1F163 H164 F165 F218 N219L55-F163 HydrophobicContact CD1-CB 3.68Å; L55-F163 HydrophobicContact CG-CB 4.23Å; L55-H164 WeakPolarHBondContact CA-O 3.49Å; L55-H164 WeakPolarHBondContact CD1-O 3.35Å; L55-F165 HydrophobicContact CB-CD1 3.8Å; L55-F165 HydrophobicContact CB-CE1 3.62Å; L55-F165 HydrophobicContact CB-CZ 4.28Å; L55-F165 HydrophobicContact CD1-CD1 3.81Å; L55-F165 HydrophobicContact CD1-CD2 3.77Å; L55-F165 HydrophobicContact CD1-CE1 3.71Å; L55-F165 HydrophobicContact CD1-CE2 3.64Å; L55-F165 HydrophobicContact CD1-CG 3.87Å; L55-F165 HydrophobicContact CD1-CZ 3.62Å; L55-F165 HydrophobicContact CD2-CE1 4.03Å; L55-F165 HydrophobicContact CD2-CZ 3.89Å; L55-F165 HydrophobicContact CG-CD1 4.34Å; L55-F165 HydrophobicContact CG-CE1 3.99Å; L55-F165 HydrophobicContact CG-CZ 4.14Å; L55-F218 CarbonylContact O-C 3.58Å; L55-F218 WeakPolarHBondContact O-CA 3.3Å; L55-F218 VanDerWaalsContact O-CB 3.25Å; L55-F218 WeakPolarHBondContact O-CB 3.45Å; L55-N219 HydrophobicContact CB-CB 3.9Å; L55-N219 HydrophobicContact CD2-CB 4.21Å; L55-N219 PolarHBondContact N-O 3.25Å; L55-N219 PolarHBondContact O-N 3.45Å
56F90Very high91.7Very high2 Ų244.3 Ų44.31%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-146.9161.6176.956.3-92.8000111.2F54 W58 F163 H164 V166 Y211F54-F56 HydrophobicContact CD1-CB 4.4Å; F54-F56 AromaticContact CD1-CD1 3.43Å; F54-F56 HydrophobicContact CD1-CD1 3.43Å; F54-F56 VanDerWaalsContact CD1-CD1 3.43Å; F54-F56 HydrophobicContact CD1-CE1 4.11Å; F54-F56 HydrophobicContact CD1-CG 4.31Å; F54-F56 HydrophobicContact CE1-CB 3.91Å; F54-F56 AromaticContact CE1-CD1 3.69Å; F54-F56 HydrophobicContact CE1-CD1 3.69Å; F54-F56 HydrophobicContact CE1-CG 4.14Å; F54-F56 HydrophobicContact CG-CD1 4.38Å; F54-F56 HydrophobicContact CZ-CB 4.4Å; F56-W58 PolarHBondContact O-N 3.46Å; F56-F163 CarbonylContact O-C 3.57Å; F56-F163 VanDerWaalsContact O-CA 3.32Å; F56-F163 WeakPolarHBondContact O-CA 3.47Å; F56-H164 HydrophobicContact CE2-CB 4.47Å; F56-H164 PolarHBondContact N-O 2.94Å; F56-H164 PolarHBondContact O-N 3.34Å; F56-V166 HydrophobicContact CD1-CG2 4.4Å; F56-V166 HydrophobicContact CE1-CB 4.2Å; F56-V166 HydrophobicContact CE1-CG1 3.59Å; F56-V166 HydrophobicContact CE1-CG2 3.64Å; F56-V166 HydrophobicContact CZ-CG1 3.81Å; F56-Y211 HydrophobicContact CB-CE2 4.34Å; F56-Y211 WeakPolarHBondContact CD2-OH 3.49Å; F56-Y211 WeakPolarHBondContact CG-OH 3.49Å
57K87.7Confident91.8Very high53 Ų5346.6 Ų46.623%0.2328%0.277CS..EExtended strand (participates in β ladder)trans-68117.8170178.1173.2167.4172.60109.4D161 F163 Y211K57-D161 HydrophobicContact CD-CB 4.35Å; K57-D161 WeakPolarHBondContact CE-OD1 3.21Å; K57-D161 IonicContact NZ-OD1 4Å; K57-D161 PolarHBondContact NZ-OD1 2.98Å; K57-F163 HydrophobicContact CB-CD1 4.24Å; K57-F163 HydrophobicContact CB-CE1 3.97Å; K57-Y211 HydrophobicContact CB-CE1 4.43Å; K57-Y211 VanDerWaalsContact O-CE1 3.25Å; K57-Y211 WeakPolarHBondContact O-CE1 3.45Å; K57-Y211 PolarHBondContact O-OH 2.64Å
58W87Confident91.9Very high114 Ų11446.4 Ų46.443%0.43228%0.28SS..  trans-64.9139179.6-17884.7000110.9F56 P60 A162 H164F56-W58 PolarHBondContact O-N 3.46Å; W58-P60 HydrophobicContact CH2-CB 3.61Å; W58-P60 HydrophobicContact CH2-CG 4.36Å; W58-P60 HydrophobicContact CZ2-CB 4.22Å; W58-P60 HydrophobicContact CZ3-CB 4Å; W58-P60 HydrophobicContact CZ3-CG 4.25Å; W58-A162 WeakPolarHBondContact CB-O 3.32Å; W58-A162 PolarHBondContact N-O 3.31Å; W58-H164 HydrophobicContact CB-CB 4.07Å
59Q84.5Confident92Very high82 Ų8244.8 Ų44.838%0.38327%0.27SS..  trans-130.4133.2173.7-65.5-175.4-2.600109.3Y211Q59-Y211 HydrophobicContact CG-CE1 4.22Å
60P83.6Confident91.9Very high101 Ų10152.3 Ų52.366%0.65630%0.304SS*.THydrogen-bonded Turntrans-66.3145.717826.2-32.4000111.4W58W58-P60 HydrophobicContact CH2-CB 3.61Å; W58-P60 HydrophobicContact CH2-CG 4.36Å; W58-P60 HydrophobicContact CZ2-CB 4.22Å; W58-P60 HydrophobicContact CZ3-CB 4Å; W58-P60 HydrophobicContact CZ3-CG 4.25Å
61G82.5Confident91.9Very high80 Ų8055.1 Ų55.183%0.82532%0.319SS*.THydrogen-bonded Turntrans81.810.7171.700000115.7E63G61-E63 PolarHBondContact O-N 3.47Å
62E83.7Confident91.7Very high33 Ų3359.3 Ų59.315%0.15435%0.349CS..PPolyproline II helixtrans-65.9120.3175.9-158.4-170.2-179.400110.9R182 R207 K210E62-R182 VanDerWaalsContact O-CZ 3.27Å; E62-R182 PolarHBondContact O-NH1 2.96Å; E62-R182 PolarHBondContact O-NH2 3.31Å; E62-R207 IonicContact OE1-CZ 2.73Å; E62-R207 IonicContact OE1-NE 3.37Å; E62-R207 PolarHBondContact OE1-NE 3.02Å; E62-R207 VanDerWaalsContact OE1-NE 3.15Å; E62-R207 IonicContact OE1-NH2 3.65Å; E62-R207 IonicContact OE2-CZ 3.38Å; E62-R207 IonicContact OE2-NE 2.73Å; E62-R207 PolarHBondContact OE2-NE 2.9Å; E62-R207 IonicContact OE2-NH2 2.94Å; E62-R207 PolarHBondContact OE2-NH2 3.05Å; E62-K210 HydrophobicContact CG-CD 4.35Å; E62-K210 VanDerWaalsContact OE1-CD 3.29Å; E62-K210 WeakPolarHBondContact OE1-CD 3.44Å; E62-K210 IonicContact OE1-NZ 3.18Å; E62-K210 PolarHBondContact OE1-NZ 3.12Å
63E87.4Confident91.7Very high160 Ų16062.5 Ų62.575%0.74836%0.361SS*.PPolyproline II helixtrans-66.3143.8174.1-72.1-173.9168.500111.4G61G61-E63 PolarHBondContact O-N 3.47Å
64P90.1Very high91.5Very high51 Ų5165.6 Ų65.633%0.33138%0.377SS..PPolyproline II helixtrans-53.6142172.3-25.234.8000112.1G66 V68 I186P64-G66 WeakPolarHBondContact CB-O 3.25Å; P64-G66 PolarHBondContact O-N 2.97Å; P64-V68 HydrophobicContact CG-CG2 4.49Å; P64-I186 HydrophobicContact CB-CD1 3.79Å; P64-I186 HydrophobicContact CB-CG1 4.21Å
65A89.9Confident91.4Very high57 Ų5771.2 Ų71.247%0.47141%0.407SS..SBendtrans-71.3-12.3177.100000113.7L188 V203A65-L188 HydrophobicContact CB-CD2 3.79Å; A65-V203 HydrophobicContact CB-CG1 4.29Å
66G94.2Very high91.4Very high31 Ų3174.1 Ų74.132%0.3243%0.426SS..SBendtrans-155.9-162.7-178.900000112.2P64P64-G66 WeakPolarHBondContact CB-O 3.25Å; P64-G66 PolarHBondContact O-N 2.97Å
67S96.7Very high91.8Very high74 Ų7474.3 Ų74.352%0.51743%0.427SS..EExtended strand (participates in β ladder)trans-85.2133.9-179560000111.9V69 D187S67-V69 PolarHBondContact O-N 3.26Å; S67-D187 PolarHBondContact N-O 2.66Å; S67-D187 PolarHBondContact O-N 2.78Å
68V97.6Very high92.3Very high51 Ų5171.9 Ų71.931%0.30942%0.416SS..EExtended strand (participates in β ladder)trans-67.8128.7172.6-1760000109.5P64 Q70P64-V68 HydrophobicContact CG-CG2 4.49Å; V68-Q70 PolarHBondContact O-N 3.44Å
69V98Very high92.9Very high3 Ų366.8 Ų66.82%0.01840%0.397CS..PPolyproline II helixtrans-70.2127.6178.7-179.30000109.7S67 R73 L74 Y176 P185 D187S67-V69 PolarHBondContact O-N 3.26Å; V69-R73 HydrophobicContact CG1-CB 3.93Å; V69-L74 HydrophobicContact CB-CD2 4.19Å; V69-L74 HydrophobicContact CG1-CD2 3.93Å; V69-L74 HydrophobicContact CG1-CG 4.1Å; V69-Y176 HydrophobicContact CG2-CD1 4.16Å; V69-Y176 HydrophobicContact CG2-CE1 3.76Å; V69-P185 HydrophobicContact CB-CB 4.29Å; V69-P185 HydrophobicContact CG2-CB 4.04Å; V69-P185 WeakPolarHBondContact CG2-O 3.36Å; V69-P185 PolarHBondContact N-O 3.13Å; V69-D187 HydrophobicContact CG2-CB 3.93Å
70Q96.3Very high93.5Very high169 Ų16963 Ų6379%0.7938%0.379SS*.  trans-133.24.5179.3-63.6-174.4-1.200113.3V68V68-Q70 PolarHBondContact O-N 3.44Å
71D96.7Very high94.1Very high73 Ų7360.5 Ų60.539%0.3936%0.359SS..SBendtrans-98.4-171.2-179.362.429.7000111.8R73 L74D71-R73 PolarHBondContact O-N 2.95Å; D71-R73 WeakPolarHBondContact OD1-CB 3.37Å; D71-R73 VanDerWaalsContact OD1-CG 3.23Å; D71-R73 WeakPolarHBondContact OD1-CG 3.42Å; D71-R73 IonicContact OD1-CZ 3.7Å; D71-R73 PolarHBondContact OD1-N 3.41Å; D71-R73 IonicContact OD1-NE 3.66Å; D71-R73 PolarHBondContact OD1-NE 2.97Å; D71-R73 IonicContact OD1-NH2 3.53Å; D71-R73 IonicContact OD2-CZ 3.62Å; D71-R73 IonicContact OD2-NE 3.25Å; D71-R73 PolarHBondContact OD2-NE 3.46Å; D71-R73 IonicContact OD2-NH2 3.63Å; D71-R73 PolarHBondContact OD2-NH2 3.32Å; D71-L74 WeakPolarHBondContact O-CG 3.22Å; D71-L74 PolarHBondContact O-N 2.93Å; D71-L74 VanDerWaalsContact O-N 3.1Å
72S95.9Very high94.6Very high89 Ų8958.2 Ų58.262%0.62233%0.326SS*.G310 helixtrans-61.2-7.5-177.5620000114.7L74 D75S72-L74 PolarHBondContact O-N 3.39Å; S72-D75 WeakPolarHBondContact O-CB 3.45Å; S72-D75 PolarHBondContact O-N 2.62Å
73R96.5Very high95Very high67 Ų6760.1 Ų60.125%0.25334%0.34SS..G310 helixtrans-64.4-22.7172.1-65.3174.4-71.8169-0.1111.9V69 D71 D75 T76 I77 Y176 D187V69-R73 HydrophobicContact CG1-CB 3.93Å; D71-R73 PolarHBondContact O-N 2.95Å; D71-R73 WeakPolarHBondContact OD1-CB 3.37Å; D71-R73 VanDerWaalsContact OD1-CG 3.23Å; D71-R73 WeakPolarHBondContact OD1-CG 3.42Å; D71-R73 IonicContact OD1-CZ 3.7Å; D71-R73 PolarHBondContact OD1-N 3.41Å; D71-R73 IonicContact OD1-NE 3.66Å; D71-R73 PolarHBondContact OD1-NE 2.97Å; D71-R73 IonicContact OD1-NH2 3.53Å; D71-R73 IonicContact OD2-CZ 3.62Å; D71-R73 IonicContact OD2-NE 3.25Å; D71-R73 PolarHBondContact OD2-NE 3.46Å; D71-R73 IonicContact OD2-NH2 3.63Å; D71-R73 PolarHBondContact OD2-NH2 3.32Å; R73-D75 PolarHBondContact O-N 3.41Å; R73-T76 PolarHBondContact O-N 3.32Å; R73-I77 HydrophobicContact CB-CD1 4.08Å; R73-I77 WeakPolarHBondContact O-CG1 3.03Å; R73-I77 PolarHBondContact O-N 2.99Å; R73-Y176 WeakPolarHBondContact CD-OH 3.49Å; R73-Y176 PolarHBondContact NH1-OH 2.92Å; R73-D187 IonicContact CZ-OD2 2.79Å; R73-D187 IonicContact NH1-OD2 2.77Å; R73-D187 PolarHBondContact NH1-OD2 3.41Å; R73-D187 IonicContact NH2-OD2 3.66Å
74L95.3Very high95Very high66 Ų6655 Ų5535%0.34632%0.318SS..G310 helixtrans-61.6-25.2173.8-66.1-179.3000113.5V69 D71 S72 T76 P185V69-L74 HydrophobicContact CB-CD2 4.19Å; V69-L74 HydrophobicContact CG1-CD2 3.93Å; V69-L74 HydrophobicContact CG1-CG 4.1Å; D71-L74 WeakPolarHBondContact O-CG 3.22Å; D71-L74 PolarHBondContact O-N 2.93Å; D71-L74 VanDerWaalsContact O-N 3.1Å; S72-L74 PolarHBondContact O-N 3.39Å; L74-T76 PolarHBondContact O-N 3.27Å; L74-P185 HydrophobicContact CD2-CG 4.13Å
75D92.9Very high94.6Very high118 Ų11858.4 Ų58.463%0.63133%0.333SS*.G310 helixtrans-74.9-19.1176.7-57.9-44.7000112.2S72 R73 Q119S72-D75 WeakPolarHBondContact O-CB 3.45Å; S72-D75 PolarHBondContact O-N 2.62Å; R73-D75 PolarHBondContact O-N 3.41Å; D75-Q119 PolarHBondContact O-NE2 2.91Å
76T93.8Very high94.5Very high83 Ų8358.2 Ų58.251%0.50932%0.324SS..THydrogen-bonded Turntrans-105.1-42.5-177-530000112.2R73 L74R73-T76 PolarHBondContact O-N 3.32Å; L74-T76 PolarHBondContact O-N 3.27Å
77I97.6Very high94.3Very high5 Ų556.9 Ų56.93%0.02631%0.31CS..SBendtrans-77.3125.4-176.9-62.3169.3000109.3R73 F79 V171 Y176 L178 P185R73-I77 HydrophobicContact CB-CD1 4.08Å; R73-I77 WeakPolarHBondContact O-CG1 3.03Å; R73-I77 PolarHBondContact O-N 2.99Å; I77-F79 PolarHBondContact O-N 3.06Å; I77-V171 HydrophobicContact CG1-CG1 4.42Å; I77-Y176 HydrophobicContact CD1-CD1 4.01Å; I77-Y176 HydrophobicContact CD1-CD2 4.18Å; I77-Y176 HydrophobicContact CD1-CE1 3.62Å; I77-Y176 HydrophobicContact CD1-CE2 3.8Å; I77-Y176 HydrophobicContact CD1-CG 4.26Å; I77-Y176 VanDerWaalsContact CD1-CZ 3.49Å; I77-L178 HydrophobicContact CG2-CD2 4.24Å; I77-P185 HydrophobicContact CB-CG 4.49Å; I77-P185 HydrophobicContact CG2-CB 4.43Å; I77-P185 HydrophobicContact CG2-CG 3.83Å
78F98.4Very high93.9Very high3 Ų353.9 Ų53.91%0.01329%0.288CS..  trans-73.4114.1169-174.9-86000109.4A80 V94 L98 N99 F114 K126F78-A80 HydrophobicContact CE1-CB 4.08Å; F78-A80 HydrophobicContact CZ-CB 4.27Å; F78-V94 HydrophobicContact CE1-CG1 4Å; F78-V94 HydrophobicContact CZ-CG1 4.37Å; F78-L98 HydrophobicContact CB-CB 3.96Å; F78-L98 HydrophobicContact CD1-CB 3.96Å; F78-L98 HydrophobicContact CD1-CD1 3.97Å; F78-L98 HydrophobicContact CD1-CG 4.48Å; F78-L98 HydrophobicContact CD2-CB 4.21Å; F78-L98 HydrophobicContact CD2-CD1 3.71Å; F78-L98 HydrophobicContact CE1-CD1 3.84Å; F78-L98 HydrophobicContact CE2-CD1 3.57Å; F78-L98 HydrophobicContact CG-CB 3.75Å; F78-L98 HydrophobicContact CG-CD1 3.92Å; F78-L98 HydrophobicContact CG-CG 4.48Å; F78-L98 HydrophobicContact CZ-CD1 3.65Å; F78-N99 PolarHBondContact N-OD1 3.2Å; F78-N99 PolarHBondContact O-ND2 2.85Å; F78-F114 HydrophobicContact CE2-CE1 4.21Å; F78-F114 AromaticContact CZ-CE1 3.88Å; F78-F114 HydrophobicContact CZ-CE1 3.88Å; F78-K126 HydrophobicContact CD2-CD 4.35Å; F78-K126 HydrophobicContact CE2-CD 4.14Å; F78-K126 HydrophobicContact CE2-CG 4.32Å; F78-K126 HydrophobicContact CZ-CB 4.45Å
79F98.4Very high93.7Very high7 Ų751.5 Ų51.53%0.03127%0.274CS..  trans-137.6130.2173.8176.9-96.3000110.1I77 K81 A123 K126 L178 D179 P185I77-F79 PolarHBondContact O-N 3.06Å; F79-K81 HydrophobicContact CE1-CG 4.03Å; F79-A123 HydrophobicContact CD1-CB 3.52Å; F79-A123 HydrophobicContact CE1-CB 3.74Å; F79-K126 WeakPolarHBondContact O-CD 3.45Å; F79-L178 HydrophobicContact CD2-CB 4.37Å; F79-L178 HydrophobicContact CD2-CD2 4.08Å; F79-D179 WeakPolarHBondContact CE2-O 3.32Å; F79-D179 WeakPolarHBondContact CZ-O 3.22Å; F79-P185 HydrophobicContact CB-CG 3.73Å; F79-P185 HydrophobicContact CD2-CG 4.05Å; F79-P185 HydrophobicContact CG-CG 3.89Å
80A97.6Very high93.6Very high1 Ų151.3 Ų51.31%0.00827%0.273CS..  trans-124.513418000000109.2F78 Q91 A123 K126F78-A80 HydrophobicContact CE1-CB 4.08Å; F78-A80 HydrophobicContact CZ-CB 4.27Å; A80-Q91 PolarHBondContact O-NE2 3.03Å; A80-A123 WeakPolarHBondContact CA-O 3.38Å; A80-K126 HydrophobicContact CB-CB 3.87Å
81K96.2Very high93.6Very high50 Ų5043.8 Ų43.822%0.21724%0.238CC..  trans-76.2144.3169.2-73-165.879.91690110.2F79 V83 Q91 A123 G127 G180 R182 E183F79-K81 HydrophobicContact CE1-CG 4.03Å; K81-V83 PolarHBondContact O-N 2.88Å; K81-Q91 VanDerWaalsContact C-NE2 3.32Å; K81-A123 HydrophobicContact CG-CB 3.92Å; K81-A123 PolarHBondContact N-O 3.21Å; K81-G127 WeakPolarHBondContact O-CA 3.38Å; K81-G180 CarbonylContact C-O 3.59Å; K81-G180 WeakPolarHBondContact CA-O 3.45Å; K81-R182 VanDerWaalsContact CE-O 3.27Å; K81-R182 WeakPolarHBondContact CE-O 3.45Å; K81-E183 IonicContact NZ-OE1 3.43Å; K81-E183 PolarHBondContact NZ-OE1 3.32Å; K81-E183 IonicContact NZ-OE2 3.6Å; K81-E183 PolarHBondContact NZ-OE2 2.85Å
82Q94Very high93.6Very high31 Ų3140.5 Ų40.515%0.14522%0.221CC..  trans-73.4118176.5-172.6170.7-66.200109.8I84 Q91 G180 L181Q82-I84 WeakPolarHBondContact CG-O 3.26Å; Q82-Q91 VanDerWaalsContact CA-OE1 3.27Å; Q82-Q91 VanDerWaalsContact N-NE2 3.16Å; Q82-G180 PolarHBondContact N-O 2.74Å; Q82-L181 HydrophobicContact CB-CD2 4.21Å
83V91.5Very high93.7Very high74 Ų7436.3 Ų36.345%0.44819%0.192SC..SBendtrans-98.8-32.7176-178.20000111K81 L128K81-V83 PolarHBondContact O-N 2.88Å; V83-L128 HydrophobicContact CG1-CD1 4.48Å
84I87.2Confident93.8Very high53 Ų5333.1 Ų33.127%0.27218%0.18SC..SBendtrans-123.5125.6-178.9-59-177.6000109.4W8 Q82 N86 A87W8-I84 HydrophobicContact CB-CG2 4.05Å; W8-I84 VanDerWaalsContact CD1-CD1 3.49Å; W8-I84 HydrophobicContact CG-CD1 4.48Å; W8-I84 HydrophobicContact CG-CG2 4.15Å; Q82-I84 WeakPolarHBondContact CG-O 3.26Å; I84-N86 PolarHBondContact O-N 2.82Å; I84-A87 HydrophobicContact CB-CB 4.19Å; I84-A87 HydrophobicContact CG2-CB 4.47Å; I84-A87 PolarHBondContact O-N 3.18Å
85N81.9Confident93.9Very high121 Ų12130.2 Ų30.265%0.64717%0.165SC*.G310 helixtrans-58.8-44.6-175.9-70.1-11.8000113.1A87 C88N85-A87 PolarHBondContact O-N 2.89Å; N85-C88 WeakPolarHBondContact O-CB 3.37Å; N85-C88 PolarHBondContact O-N 2.56Å; N85-C88 PolarHBondContact O-SG 2.79Å
86N86.8Confident94.2Very high54 Ų5424.6 Ų24.629%0.28914%0.135SC..G310 helixtrans-73.5-9.6-176.5-66.2-11.4000113.6W8 I84 C88 H140W8-N86 HydrophobicContact CB-CB 3.92Å; W8-N86 WeakPolarHBondContact O-CB 3.46Å; W8-N86 PolarHBondContact O-ND2 3.03Å; I84-N86 PolarHBondContact O-N 2.82Å; N86-C88 VanDerWaalsContact C-N 3.3Å; N86-H140 PolarHBondContact O-CE1 3.35Å; N86-H140 VanDerWaalsContact O-CE1 3.28Å
87A90.1Very high94.4Very high3 Ų320.7 Ų20.73%0.02511%0.111CC..G310 helixtrans-84.4-3.5177.900000113.5W8 I84 N85 A89 T90 Q91W8-A87 HydrophobicContact CD2-CB 3.61Å; W8-A87 HydrophobicContact CE3-CB 3.52Å; W8-A87 HydrophobicContact CG-CB 4.09Å; W8-A87 HydrophobicContact CH2-CB 4.37Å; W8-A87 HydrophobicContact CZ2-CB 4.45Å; W8-A87 HydrophobicContact CZ3-CB 3.93Å; I84-A87 HydrophobicContact CB-CB 4.19Å; I84-A87 HydrophobicContact CG2-CB 4.47Å; I84-A87 PolarHBondContact O-N 3.18Å; N85-A87 PolarHBondContact O-N 2.89Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.86Å; A87-T90 PolarHBondContact O-N 3.31Å; A87-T90 VanDerWaalsContact O-N 3.11Å; A87-Q91 PolarHBondContact O-N 3.44Å
88C90.2Very high94.5Very high10 Ų1020.5 Ų20.57%0.06811%0.11CC..Hα-helixtrans-53.1-43.3-171.2580000114N85 N86 Q91 A92 F165N85-C88 WeakPolarHBondContact O-CB 3.37Å; N85-C88 PolarHBondContact O-N 2.56Å; N85-C88 PolarHBondContact O-SG 2.79Å; N86-C88 VanDerWaalsContact C-N 3.3Å; C88-Q91 PolarHBondContact O-N 3.25Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 2.97Å; C88-F165 HydrophobicContact CB-CD2 4.08Å; C88-F165 VanDerWaalsContact SG-CD2 3.54Å
89A91.4Very high94.5Very high1 Ų121.1 Ų21.11%0.00811%0.113CC..Hα-helixtrans-60.7-48.5178.100000112.1M11 F18 A87 A92 I93 F165M11-A89 HydrophobicContact CB-CB 4.04Å; M11-A89 HydrophobicContact SD-CB 4.11Å; F18-A89 HydrophobicContact CE1-CB 4.1Å; F18-A89 HydrophobicContact CZ-CB 3.68Å; A87-A89 VanDerWaalsContact C-N 3.34Å; A87-A89 PolarHBondContact O-N 2.86Å; A89-A92 PolarHBondContact O-N 3.46Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 2.65Å; A89-I93 VanDerWaalsContact O-N 3.1Å; A89-F165 HydrophobicContact CB-CD2 4.17Å; A89-F165 HydrophobicContact CB-CE2 3.8Å; A89-F165 HydrophobicContact CB-CZ 4.25Å
90T96.1Very high94.4Very high0 Ų021.6 Ų21.60%012%0.117CC..Hα-helixtrans-64.7-42176.4-70.40000111.4W8 F25 A87 A92 I93 V94 I136 H140W8-T90 HydrophobicContact CH2-CG2 4.16Å; W8-T90 HydrophobicContact CZ3-CG2 3.95Å; F25-T90 HydrophobicContact CE1-CG2 4.49Å; F25-T90 HydrophobicContact CE2-CG2 4.22Å; F25-T90 HydrophobicContact CZ-CG2 3.64Å; A87-T90 PolarHBondContact O-N 3.31Å; A87-T90 VanDerWaalsContact O-N 3.11Å; T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 3.37Å; T90-I93 PolarHBondContact O-N 3.45Å; T90-V94 HydrophobicContact CG2-CG2 4.06Å; T90-V94 WeakPolarHBondContact O-CB 3.38Å; T90-V94 VanDerWaalsContact O-CG2 3.3Å; T90-V94 WeakPolarHBondContact O-CG2 3.4Å; T90-V94 PolarHBondContact O-N 2.94Å; T90-I136 HydrophobicContact CG2-CG2 3.55Å; T90-H140 PolarHBondContact OG1-ND1 2.96Å
91Q96.8Very high94.4Very high10 Ų1027.6 Ų27.65%0.04715%0.154CC..Hα-helixtrans-62.2-40178.7-174173.1-28.100112A80 K81 Q82 A87 C88 S95 L130A80-Q91 PolarHBondContact O-NE2 3.03Å; K81-Q91 VanDerWaalsContact C-NE2 3.32Å; Q82-Q91 VanDerWaalsContact CA-OE1 3.27Å; Q82-Q91 VanDerWaalsContact N-NE2 3.16Å; A87-Q91 PolarHBondContact O-N 3.44Å; C88-Q91 PolarHBondContact O-N 3.25Å; Q91-S95 VanDerWaalsContact O-CB 3.24Å; Q91-S95 WeakPolarHBondContact O-CB 3.49Å; Q91-S95 PolarHBondContact O-N 2.88Å; Q91-S95 PolarHBondContact O-OG 3.08Å; Q91-L130 HydrophobicContact CB-CD2 3.91Å; Q91-L130 HydrophobicContact CG-CD2 3.94Å
92A97.2Very high94.4Very high5 Ų528.2 Ų28.24%0.04116%0.158CC..Hα-helixtrans-62.7-46.3174.100000111.7I53 C88 A89 T90 S95 V96 F165 S167I53-A92 HydrophobicContact CD1-CB 4.34Å; I53-A92 HydrophobicContact CG1-CB 4.38Å; I53-A92 HydrophobicContact CG2-CB 4.02Å; C88-A92 WeakPolarHBondContact O-CB 3.26Å; C88-A92 PolarHBondContact O-N 2.97Å; A89-A92 PolarHBondContact O-N 3.46Å; T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 3.37Å; A92-S95 WeakPolarHBondContact O-CB 3.45Å; A92-S95 PolarHBondContact O-N 3.28Å; A92-V96 PolarHBondContact O-N 3.25Å; A92-V96 VanDerWaalsContact O-N 3.11Å; A92-F165 HydrophobicContact CB-CB 3.82Å; A92-S167 VanDerWaalsContact CA-OG 3.24Å; A92-S167 WeakPolarHBondContact CA-OG 3.49Å; A92-S167 WeakPolarHBondContact CB-OG 3.46Å; A92-S167 PolarHBondContact O-OG 2.89Å
93I98.1Very high94.5Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-61-48.7176.8-67163.4000111.3F18 L21 I22 F25 I53 A89 T90 S95 V96 L97 I223F18-I93 HydrophobicContact CB-CD1 4.2Å; F18-I93 HydrophobicContact CD1-CD1 4.36Å; F18-I93 HydrophobicContact CD2-CD1 3.53Å; F18-I93 HydrophobicContact CD2-CG1 3.85Å; F18-I93 HydrophobicContact CE2-CD1 3.86Å; F18-I93 HydrophobicContact CE2-CG1 4.07Å; F18-I93 HydrophobicContact CG-CD1 3.79Å; F18-I93 HydrophobicContact CZ-CD1 4.42Å; L21-I93 HydrophobicContact CD2-CD1 3.52Å; I22-I93 HydrophobicContact CD1-CG2 4.04Å; I22-I93 HydrophobicContact CG1-CG2 3.59Å; F25-I93 HydrophobicContact CE2-CG2 4.38Å; I53-I93 HydrophobicContact CD1-CB 4.36Å; I53-I93 HydrophobicContact CD1-CG1 3.54Å; A89-I93 WeakPolarHBondContact O-CG1 3.39Å; A89-I93 PolarHBondContact O-N 2.65Å; A89-I93 VanDerWaalsContact O-N 3.1Å; T90-I93 PolarHBondContact O-N 3.45Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 3.48Å; I93-V96 PolarHBondContact O-N 3.06Å; I93-V96 VanDerWaalsContact O-N 3.13Å; I93-L97 HydrophobicContact CG2-CD1 3.74Å; I93-L97 HydrophobicContact CG2-CG 4.21Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 3.12Å; I93-I223 HydrophobicContact CG2-CD1 4.38Å
94V98.2Very high94.8Very high0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-62.6-38.7178.81720000110.7F78 T90 V96 L97 L98 L111 L130F78-V94 HydrophobicContact CE1-CG1 4Å; F78-V94 HydrophobicContact CZ-CG1 4.37Å; T90-V94 HydrophobicContact CG2-CG2 4.06Å; T90-V94 WeakPolarHBondContact O-CB 3.38Å; T90-V94 VanDerWaalsContact O-CG2 3.3Å; T90-V94 WeakPolarHBondContact O-CG2 3.4Å; T90-V94 PolarHBondContact O-N 2.94Å; V94-V96 VanDerWaalsContact C-N 3.26Å; V94-V96 PolarHBondContact O-N 2.88Å; V94-L97 PolarHBondContact O-N 3.11Å; V94-L98 HydrophobicContact CG1-CD1 3.42Å; V94-L98 VanDerWaalsContact CG1-CD1 3.42Å; V94-L98 HydrophobicContact CG1-CG 3.68Å; V94-L98 WeakPolarHBondContact O-CB 3.46Å; V94-L98 WeakPolarHBondContact O-CG 3.41Å; V94-L98 PolarHBondContact O-N 3.28Å; V94-L111 HydrophobicContact CG2-CD2 4.33Å; V94-L130 HydrophobicContact CG1-CD1 4.41Å; V94-L130 HydrophobicContact CG2-CD1 4.28Å
95S98.2Very high95.3Very high5 Ų529.7 Ų29.74%0.03516%0.16CC..Hα-helixtrans-59.6-37.1175.5-62.40000111.9Q91 A92 I93 N99Q91-S95 VanDerWaalsContact O-CB 3.24Å; Q91-S95 WeakPolarHBondContact O-CB 3.49Å; Q91-S95 PolarHBondContact O-N 2.88Å; Q91-S95 PolarHBondContact O-OG 3.08Å; A92-S95 WeakPolarHBondContact O-CB 3.45Å; A92-S95 PolarHBondContact O-N 3.28Å; I93-S95 VanDerWaalsContact C-N 3.29Å; I93-S95 PolarHBondContact O-N 3.48Å; S95-N99 PolarHBondContact O-ND2 2.97Å
96V98.7Very high96.1Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-71.2-55.1173176.30000111.5I53 A92 I93 V94 L98 N99 C100 V169 I223I53-V96 HydrophobicContact CG1-CG2 4.2Å; A92-V96 PolarHBondContact O-N 3.25Å; A92-V96 VanDerWaalsContact O-N 3.11Å; I93-V96 PolarHBondContact O-N 3.06Å; I93-V96 VanDerWaalsContact O-N 3.13Å; V94-V96 VanDerWaalsContact C-N 3.26Å; V94-V96 PolarHBondContact O-N 2.88Å; V96-L98 PolarHBondContact O-N 3.09Å; V96-N99 PolarHBondContact O-N 3.45Å; V96-C100 PolarHBondContact O-N 3Å; V96-V169 HydrophobicContact CB-CG1 4.09Å; V96-V169 HydrophobicContact CG1-CG1 4.12Å; V96-V169 HydrophobicContact CG2-CG1 3.8Å; V96-I223 HydrophobicContact CB-CD1 3.68Å; V96-I223 HydrophobicContact CG1-CB 4.12Å; V96-I223 HydrophobicContact CG1-CD1 3.69Å; V96-I223 HydrophobicContact CG1-CG1 4.42Å; V96-I223 HydrophobicContact CG1-CG2 4.38Å; V96-I223 HydrophobicContact CG2-CD1 4.07Å
97L98.7Very high96.6Very high1 Ų127.3 Ų27.31%0.00514%0.143CC..Hα-helixtrans-62.9-44.5-171.4-65.8179.1000112.1I22 C27 I93 V94 N99 C100 V105 L107 L111 I223I22-L97 HydrophobicContact CG1-CD1 4.16Å; I22-L97 HydrophobicContact CG2-CD1 4.18Å; C27-L97 HydrophobicContact CB-CD1 4.32Å; I93-L97 HydrophobicContact CG2-CD1 3.74Å; I93-L97 HydrophobicContact CG2-CG 4.21Å; I93-L97 WeakPolarHBondContact O-CG 3.48Å; I93-L97 PolarHBondContact O-N 3.12Å; V94-L97 PolarHBondContact O-N 3.11Å; L97-N99 PolarHBondContact O-N 3.2Å; L97-C100 WeakPolarHBondContact O-CB 3.29Å; L97-C100 PolarHBondContact O-N 3.39Å; L97-V105 HydrophobicContact CD2-CG1 4.25Å; L97-L107 HydrophobicContact CB-CD2 3.88Å; L97-L107 WeakPolarHBondContact O-CD2 3.45Å; L97-L111 HydrophobicContact CB-CD1 4.48Å; L97-L111 HydrophobicContact CD1-CD1 3.76Å; L97-I223 HydrophobicContact CD2-CG2 4.18Å
98L98.5Very high97Very high1 Ų127.9 Ų27.91%0.00515%0.15CC..THydrogen-bonded Turntrans-72.4-14.8-177.2-61-167.6000113.7F78 V94 V96 L107 L111 F114 K115F78-L98 HydrophobicContact CB-CB 3.96Å; F78-L98 HydrophobicContact CD1-CB 3.96Å; F78-L98 HydrophobicContact CD1-CD1 3.97Å; F78-L98 HydrophobicContact CD1-CG 4.48Å; F78-L98 HydrophobicContact CD2-CB 4.21Å; F78-L98 HydrophobicContact CD2-CD1 3.71Å; F78-L98 HydrophobicContact CE1-CD1 3.84Å; F78-L98 HydrophobicContact CE2-CD1 3.57Å; F78-L98 HydrophobicContact CG-CB 3.75Å; F78-L98 HydrophobicContact CG-CD1 3.92Å; F78-L98 HydrophobicContact CG-CG 4.48Å; F78-L98 HydrophobicContact CZ-CD1 3.65Å; V94-L98 HydrophobicContact CG1-CD1 3.42Å; V94-L98 VanDerWaalsContact CG1-CD1 3.42Å; V94-L98 HydrophobicContact CG1-CG 3.68Å; V94-L98 WeakPolarHBondContact O-CB 3.46Å; V94-L98 WeakPolarHBondContact O-CG 3.41Å; V94-L98 PolarHBondContact O-N 3.28Å; V96-L98 PolarHBondContact O-N 3.09Å; L98-L107 HydrophobicContact CD2-CD1 3.94Å; L98-L107 HydrophobicContact CD2-CD2 4.11Å; L98-L111 HydrophobicContact CD2-CB 4.07Å; L98-F114 HydrophobicContact CD1-CD1 3.93Å; L98-F114 HydrophobicContact CD1-CE1 4.22Å; L98-K115 HydrophobicContact CB-CD 4.29Å; L98-K115 HydrophobicContact CD1-CB 4.19Å; L98-K115 HydrophobicContact CD2-CB 4Å; L98-K115 HydrophobicContact CD2-CD 4.26Å; L98-K115 VanDerWaalsContact O-CE 3.31Å; L98-K115 WeakPolarHBondContact O-CE 3.29Å; L98-K115 PolarHBondContact O-NZ 3.19Å
99N98.4Very high97.4Very high17 Ų1734.4 Ų34.49%0.09118%0.18CC..THydrogen-bonded Turntrans-95.3-3.2169.7-71.9-62000113F78 S95 V96 L97 V169 V171 L178F78-N99 PolarHBondContact N-OD1 3.2Å; F78-N99 PolarHBondContact O-ND2 2.85Å; S95-N99 PolarHBondContact O-ND2 2.97Å; V96-N99 PolarHBondContact O-N 3.45Å; L97-N99 PolarHBondContact O-N 3.2Å; N99-V169 HydrophobicContact CB-CG2 4.35Å; N99-V171 HydrophobicContact CB-CG2 3.98Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.35Å
100C97.5Very high97.7Very high17 Ų1736.2 Ų36.212%0.11519%0.19CC..  trans-88.8130.2178.1-1720000111V96 L97V96-C100 PolarHBondContact O-N 3Å; L97-C100 WeakPolarHBondContact O-CB 3.29Å; L97-C100 PolarHBondContact O-N 3.39Å
101T95.9Very high97.8Very high126 Ų12636.2 Ų36.277%0.77319%0.19SC*.  trans-126.222.8172.661.60000111.6
102H96.8Very high97.9Very high64 Ų6438.3 Ų38.330%0.29621%0.206SC..  trans-72.1141.5179.7-169.4-87000110.6H50 D104 V105H50-H102 AromaticContact CE1-CG 3.54Å; H50-H102 AromaticContact CE1-ND1 3.51Å; H50-H102 AromaticContact ND1-CG 3.87Å; H102-D104 IonicContact CE1-OD1 3.42Å; H102-D104 IonicContact CE1-OD2 3.7Å; H102-D104 PolarHBondContact CE1-OD2 3.43Å; H102-D104 VanDerWaalsContact CE1-OD2 3.25Å; H102-D104 WeakPolarHBondContact ND1-CB 3.19Å; H102-D104 PolarHBondContact ND1-N 3.01Å; H102-D104 IonicContact ND1-OD1 3.78Å; H102-D104 IonicContact ND1-OD2 3.44Å; H102-D104 PolarHBondContact O-N 2.98Å; H102-D104 VanDerWaalsContact O-N 3.12Å; H102-V105 HydrophobicContact CB-CG2 4.48Å; H102-V105 PolarHBondContact O-N 3.31Å
103Q96.4Very high97.9Very high159 Ų15943.6 Ų43.674%0.74323%0.23SC*.THydrogen-bonded Turntrans-58.1-29-174.967.4-174.17.100114.4V105 H106Q103-V105 VanDerWaalsContact C-N 3.32Å; Q103-H106 PolarHBondContact O-CE1 3.09Å
104D97Very high97.9Very high13 Ų1344.3 Ų44.37%0.0723%0.233CC..THydrogen-bonded Turntrans-72-27.2178.8-64-3.6000112.3G29 H102 H106 S225 M229G29-D104 WeakPolarHBondContact CA-O 3.23Å; H102-D104 IonicContact CE1-OD1 3.42Å; H102-D104 IonicContact CE1-OD2 3.7Å; H102-D104 PolarHBondContact CE1-OD2 3.43Å; H102-D104 VanDerWaalsContact CE1-OD2 3.25Å; H102-D104 WeakPolarHBondContact ND1-CB 3.19Å; H102-D104 PolarHBondContact ND1-N 3.01Å; H102-D104 IonicContact ND1-OD1 3.78Å; H102-D104 IonicContact ND1-OD2 3.44Å; H102-D104 PolarHBondContact O-N 2.98Å; H102-D104 VanDerWaalsContact O-N 3.12Å; D104-H106 PolarHBondContact O-ND1 3Å; D104-S225 WeakPolarHBondContact CB-OG 3.47Å; D104-S225 VanDerWaalsContact CG-OG 3.31Å; D104-S225 VanDerWaalsContact OD2-CB 3.3Å; D104-S225 WeakPolarHBondContact OD2-CB 3.48Å; D104-S225 PolarHBondContact OD2-OG 2.87Å; D104-M229 HydrophobicContact CB-CE 3.9Å
105V98.3Very high97.9Very high16 Ų1646.7 Ų46.710%0.09724%0.244CC..  trans-98117.4-169.6-176.10000110.5A30 H50 L97 H102 Q103A30-V105 HydrophobicContact CB-CG2 4.29Å; H50-V105 WeakPolarHBondContact NE2-CG2 3.31Å; L97-V105 HydrophobicContact CD2-CG1 4.25Å; H102-V105 HydrophobicContact CB-CG2 4.48Å; H102-V105 PolarHBondContact O-N 3.31Å; Q103-V105 VanDerWaalsContact C-N 3.32Å
106H98.4Very high97.9Very high100 Ų10054.2 Ų54.246%0.46328%0.278SS..BIsolated β-bridgetrans-115106-179.5-57.779.2000109C27 R28 Q103 D104 G108C27-H106 CarbonylContact C-O 3.53Å; C27-H106 VanDerWaalsContact CA-O 3.26Å; C27-H106 WeakPolarHBondContact CA-O 3.33Å; R28-H106 HydrophobicContact CB-CB 4.41Å; R28-H106 PolarHBondContact N-O 3.04Å; R28-H106 PolarHBondContact O-N 3.3Å; Q103-H106 PolarHBondContact O-CE1 3.09Å; D104-H106 PolarHBondContact O-ND1 3Å; H106-G108 PolarHBondContact O-N 3Å; H106-G108 VanDerWaalsContact O-N 3.09Å
107L98.4Very high97.8Very high25 Ų2560.5 Ų60.513%0.13131%0.306CS..  trans-56.1-29.8-172.2-72.9-177.6000114.9C27 L97 L98 L111 K115C27-L107 WeakPolarHBondContact CA-O 3.48Å; C27-L107 PolarHBondContact N-O 3.28Å; L97-L107 HydrophobicContact CB-CD2 3.88Å; L97-L107 WeakPolarHBondContact O-CD2 3.45Å; L98-L107 HydrophobicContact CD2-CD1 3.94Å; L98-L107 HydrophobicContact CD2-CD2 4.11Å; L107-L111 HydrophobicContact CB-CB 4.06Å; L107-L111 HydrophobicContact CD2-CB 4.4Å; L107-L111 HydrophobicContact CD2-CD1 4.29Å; L107-K115 HydrophobicContact CD1-CD 4.28Å
108G97.9Very high97.7Very high16 Ų1660.4 Ų60.417%0.16531%0.305CS..Hα-helixtrans78.6172-170.200000112.2G26 H106 S112G26-G108 WeakPolarHBondContact O-CA 3.33Å; H106-G108 PolarHBondContact O-N 3Å; H106-G108 VanDerWaalsContact O-N 3.09Å; G108-S112 VanDerWaalsContact O-CB 3.25Å; G108-S112 WeakPolarHBondContact O-CB 3.46Å; G108-S112 PolarHBondContact O-N 2.91Å; G108-S112 VanDerWaalsContact O-N 3.11Å; G108-S112 PolarHBondContact O-OG 3.5Å
109E98.3Very high97.6Very high147 Ų14763.9 Ų63.969%0.68732%0.322SS*.Hα-helixtrans-60.6-56.4-173.8-173.6174.5-164.100111.4L111 S112 E113E109-L111 PolarHBondContact O-N 3.29Å; E109-S112 PolarHBondContact O-N 2.89Å; E109-S112 VanDerWaalsContact O-N 3.12Å; E109-E113 HydrophobicContact CG-CG 4.46Å; E109-E113 WeakPolarHBondContact O-CG 3.36Å; E109-E113 PolarHBondContact O-N 3.12Å
110T97.6Very high97.4Very high38 Ų3868.4 Ų68.423%0.23335%0.354CS..Hα-helixtrans-52.7-49.7-177.2-47.20000113.6F25 F114 V135 I136F25-T110 WeakPolarHBondContact O-CB 3.47Å; T110-F114 VanDerWaalsContact O-CB 3.26Å; T110-F114 WeakPolarHBondContact O-CB 3.43Å; T110-F114 PolarHBondContact O-N 2.99Å; T110-V135 HydrophobicContact CG2-CB 4.19Å; T110-V135 HydrophobicContact CG2-CG1 3.74Å; T110-I136 HydrophobicContact CG2-CG1 4.22Å
111L98.4Very high97.4Very high0 Ų070.7 Ų70.70%036%0.362CS..Hα-helixtrans-75.3-31.3-177.9-67.1-175.3000112.2F25 C27 V94 L97 L98 L107 E109 K115 I136F25-L111 HydrophobicContact CB-CD1 3.98Å; F25-L111 HydrophobicContact CB-CD2 4.19Å; F25-L111 HydrophobicContact CB-CG 3.98Å; F25-L111 HydrophobicContact CG-CD2 4.41Å; C27-L111 HydrophobicContact CB-CD1 4.07Å; V94-L111 HydrophobicContact CG2-CD2 4.33Å; L97-L111 HydrophobicContact CB-CD1 4.48Å; L97-L111 HydrophobicContact CD1-CD1 3.76Å; L98-L111 HydrophobicContact CD2-CB 4.07Å; L107-L111 HydrophobicContact CB-CB 4.06Å; L107-L111 HydrophobicContact CD2-CB 4.4Å; L107-L111 HydrophobicContact CD2-CD1 4.29Å; E109-L111 PolarHBondContact O-N 3.29Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 PolarHBondContact O-N 2.77Å; L111-I136 HydrophobicContact CD2-CD1 4.3Å
112S98.3Very high97.4Very high55 Ų5569.3 Ų69.339%0.38535%0.351SS..Hα-helixtrans-68.7-48176.3-56.60000111G108 E109 F114 K115 E116G108-S112 VanDerWaalsContact O-CB 3.25Å; G108-S112 WeakPolarHBondContact O-CB 3.46Å; G108-S112 PolarHBondContact O-N 2.91Å; G108-S112 VanDerWaalsContact O-N 3.11Å; G108-S112 PolarHBondContact O-OG 3.5Å; E109-S112 PolarHBondContact O-N 2.89Å; E109-S112 VanDerWaalsContact O-N 3.12Å; S112-F114 VanDerWaalsContact C-N 3.33Å; S112-F114 PolarHBondContact O-N 3.31Å; S112-K115 PolarHBondContact O-N 2.9Å; S112-E116 PolarHBondContact O-N 3.29Å
113E98.2Very high97.4Very high116 Ų11667.3 Ų67.354%0.54235%0.345SS..Hα-helixtrans-59.9-44.3175.4-72.4-175.1163.200111.4E109 K115 E116 F117E109-E113 HydrophobicContact CG-CG 4.46Å; E109-E113 WeakPolarHBondContact O-CG 3.36Å; E109-E113 PolarHBondContact O-N 3.12Å; E113-K115 VanDerWaalsContact C-N 3.35Å; E113-K115 PolarHBondContact O-N 3.43Å; E113-E116 PolarHBondContact O-N 3.29Å; E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 2.94Å
114F98.3Very high97.4Very high15 Ų1561.9 Ų61.97%0.06633%0.327CS..Hα-helixtrans-62.9-41.5177.9-178.7-98.8000112.1F78 L98 T110 S112 S118 A129 L130 I136F78-F114 HydrophobicContact CE2-CE1 4.21Å; F78-F114 AromaticContact CZ-CE1 3.88Å; F78-F114 HydrophobicContact CZ-CE1 3.88Å; L98-F114 HydrophobicContact CD1-CD1 3.93Å; L98-F114 HydrophobicContact CD1-CE1 4.22Å; T110-F114 VanDerWaalsContact O-CB 3.26Å; T110-F114 WeakPolarHBondContact O-CB 3.43Å; T110-F114 PolarHBondContact O-N 2.99Å; S112-F114 VanDerWaalsContact C-N 3.33Å; S112-F114 PolarHBondContact O-N 3.31Å; F114-S118 WeakPolarHBondContact O-CB 3.29Å; F114-S118 PolarHBondContact O-N 2.9Å; F114-S118 PolarHBondContact O-OG 3.06Å; F114-A129 HydrophobicContact CE2-CB 3.99Å; F114-A129 HydrophobicContact CZ-CB 4.24Å; F114-L130 HydrophobicContact CE1-CB 4.37Å; F114-L130 HydrophobicContact CE1-CD1 4.02Å; F114-L130 HydrophobicContact CE2-CB 4.43Å; F114-L130 VanDerWaalsContact CZ-CA 3.46Å; F114-L130 HydrophobicContact CZ-CB 3.69Å; F114-L130 HydrophobicContact CZ-CD1 3.96Å; F114-L130 HydrophobicContact CZ-CG 4.44Å; F114-I136 HydrophobicContact CD1-CD1 4.42Å; F114-I136 HydrophobicContact CD2-CD1 4.31Å; F114-I136 HydrophobicContact CG-CD1 4.14Å
115K97.9Very high97.4Very high50 Ų5065.2 Ų65.222%0.21734%0.343CS..Hα-helixtrans-62.2-47.4176.2-177.1174.1174.6172.10111.3L98 L107 L111 S112 E113 S118 Q119L98-K115 HydrophobicContact CB-CD 4.29Å; L98-K115 HydrophobicContact CD1-CB 4.19Å; L98-K115 HydrophobicContact CD2-CB 4Å; L98-K115 HydrophobicContact CD2-CD 4.26Å; L98-K115 VanDerWaalsContact O-CE 3.31Å; L98-K115 WeakPolarHBondContact O-CE 3.29Å; L98-K115 PolarHBondContact O-NZ 3.19Å; L107-K115 HydrophobicContact CD1-CD 4.28Å; L111-K115 VanDerWaalsContact O-CB 3.32Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 PolarHBondContact O-N 2.77Å; S112-K115 PolarHBondContact O-N 2.9Å; E113-K115 VanDerWaalsContact C-N 3.35Å; E113-K115 PolarHBondContact O-N 3.43Å; K115-S118 PolarHBondContact O-N 2.9Å; K115-Q119 PolarHBondContact O-N 3.08Å
116E97.5Very high97.4Very high162 Ų16265 Ų6576%0.75734%0.341SS*.Hα-helixtrans-62.8-47.9178.6-174.5176.5174.700111.6S112 E113 S118 Q119S112-E116 PolarHBondContact O-N 3.29Å; E113-E116 PolarHBondContact O-N 3.29Å; E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 3.1Å; E116-Q119 PolarHBondContact O-N 2.82Å
117F97.5Very high97.3Very high132 Ų13260.3 Ų60.358%0.57932%0.32SS*.Hα-helixtrans-58-39.6178.9171.1-108.5000113E113 F121 A129E113-F117 WeakPolarHBondContact O-CB 3.37Å; E113-F117 PolarHBondContact O-N 2.94Å; F117-F121 HydrophobicContact CD1-CE2 4.16Å; F117-F121 AromaticContact CE1-CE2 3.66Å; F117-F121 HydrophobicContact CE1-CE2 3.66Å; F117-F121 HydrophobicContact CE1-CZ 4.03Å; F117-F121 HydrophobicContact CE2-CZ 4.21Å; F117-F121 AromaticContact CZ-CE2 3.94Å; F117-F121 HydrophobicContact CZ-CE2 3.94Å; F117-F121 AromaticContact CZ-CZ 3.84Å; F117-F121 HydrophobicContact CZ-CZ 3.84Å; F117-A129 HydrophobicContact CE1-CB 4.23Å
118S96.9Very high97.2Very high0 Ų062.3 Ų62.30%033%0.33CS..Hα-helixtrans-99.13.1-173.964.20000114.2F114 K115 E116 S120 F121 K126F114-S118 WeakPolarHBondContact O-CB 3.29Å; F114-S118 PolarHBondContact O-N 2.9Å; F114-S118 PolarHBondContact O-OG 3.06Å; K115-S118 PolarHBondContact O-N 2.9Å; E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 3.1Å; S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 3.12Å; S118-F121 WeakPolarHBondContact O-CB 3.49Å; S118-F121 PolarHBondContact O-N 2.76Å; S118-F121 VanDerWaalsContact O-N 3.11Å; S118-K126 WeakPolarHBondContact O-CE 3.39Å
119Q94.8Very high97.1Very high74 Ų7462.2 Ų62.235%0.34633%0.328SS..THydrogen-bonded Turntrans-55.7-45.5-172.8-175.565.523.400112.5D75 K115 E116 F121 K126D75-Q119 PolarHBondContact O-NE2 2.91Å; K115-Q119 PolarHBondContact O-N 3.08Å; E116-Q119 PolarHBondContact O-N 2.82Å; Q119-F121 VanDerWaalsContact C-N 3.31Å; Q119-F121 PolarHBondContact O-N 3.44Å; Q119-K126 PolarHBondContact O-NZ 3.45Å
120S95.2Very high97Very high111 Ų11155.4 Ų55.478%0.77630%0.296SS*.THydrogen-bonded Turntrans-85.32.3-176.461.70000114.5S118S118-S120 VanDerWaalsContact C-N 3.33Å; S118-S120 PolarHBondContact O-N 3.12Å
121F97.2Very high96.8Very high65 Ų6554 Ų5429%0.28529%0.288SS..SBendtrans-81.9149.5-179.3-67.6-4.9000111.4F117 S118 Q119 M125 K126 A129F117-F121 HydrophobicContact CD1-CE2 4.16Å; F117-F121 AromaticContact CE1-CE2 3.66Å; F117-F121 HydrophobicContact CE1-CE2 3.66Å; F117-F121 HydrophobicContact CE1-CZ 4.03Å; F117-F121 HydrophobicContact CE2-CZ 4.21Å; F117-F121 AromaticContact CZ-CE2 3.94Å; F117-F121 HydrophobicContact CZ-CE2 3.94Å; F117-F121 AromaticContact CZ-CZ 3.84Å; F117-F121 HydrophobicContact CZ-CZ 3.84Å; S118-F121 WeakPolarHBondContact O-CB 3.49Å; S118-F121 PolarHBondContact O-N 2.76Å; S118-F121 VanDerWaalsContact O-N 3.11Å; Q119-F121 VanDerWaalsContact C-N 3.31Å; Q119-F121 PolarHBondContact O-N 3.44Å; F121-M125 HydrophobicContact CB-CB 3.79Å; F121-M125 HydrophobicContact CD2-CB 4.18Å; F121-M125 HydrophobicContact CG-CB 4.04Å; F121-K126 HydrophobicContact CB-CG 3.77Å; F121-K126 WeakPolarHBondContact O-CE 3.37Å; F121-K126 PolarHBondContact O-NZ 3.11Å; F121-A129 HydrophobicContact CD2-CB 4.21Å; F121-A129 HydrophobicContact CE2-CB 4.13Å
122D96.3Very high96.7Very high98 Ų9859 Ų5952%0.52432%0.315SS..  trans-67.9171.6165.569.542.8000111.3A124 M125 K126D122-A124 VanDerWaalsContact C-N 3.3Å; D122-A124 PolarHBondContact O-N 2.74Å; D122-A124 WeakPolarHBondContact OD1-CA 3.4Å; D122-A124 WeakPolarHBondContact OD1-CB 3.03Å; D122-A124 PolarHBondContact OD1-N 3.27Å; D122-M125 PolarHBondContact O-N 3.46Å; D122-M125 WeakPolarHBondContact OD1-CB 3.11Å; D122-M125 PolarHBondContact OD1-N 2.88Å; D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 2.81Å
123A97.2Very high96.6Very high22 Ų2257.5 Ų57.518%0.18231%0.305CS..Hα-helixtrans-60.6-37.1-17600000113.6F79 A80 K81 G127F79-A123 HydrophobicContact CD1-CB 3.52Å; F79-A123 HydrophobicContact CE1-CB 3.74Å; A80-A123 WeakPolarHBondContact CA-O 3.38Å; K81-A123 HydrophobicContact CG-CB 3.92Å; K81-A123 PolarHBondContact N-O 3.21Å; A123-G127 PolarHBondContact O-N 3.38Å; A123-G127 VanDerWaalsContact O-N 3.07Å
124A96.2Very high96.4Very high44 Ų4456.3 Ų56.336%0.36430%0.302SS..Hα-helixtrans-71.7-41.7-179.800000111D122 G127 L128D122-A124 VanDerWaalsContact C-N 3.3Å; D122-A124 PolarHBondContact O-N 2.74Å; D122-A124 WeakPolarHBondContact OD1-CA 3.4Å; D122-A124 WeakPolarHBondContact OD1-CB 3.03Å; D122-A124 PolarHBondContact OD1-N 3.27Å; A124-G127 PolarHBondContact O-N 3.26Å; A124-L128 WeakPolarHBondContact O-CB 3.31Å; A124-L128 PolarHBondContact O-N 2.99Å
125M96.8Very high96.3Very high83 Ų8359.3 Ų59.341%0.40932%0.321SS..Hα-helixtrans-69.3-36.9176.2-70.5-6098.700112.2F121 D122 G127 L128 A129F121-M125 HydrophobicContact CB-CB 3.79Å; F121-M125 HydrophobicContact CD2-CB 4.18Å; F121-M125 HydrophobicContact CG-CB 4.04Å; D122-M125 PolarHBondContact O-N 3.46Å; D122-M125 WeakPolarHBondContact OD1-CB 3.11Å; D122-M125 PolarHBondContact OD1-N 2.88Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 2.93Å; M125-L128 HydrophobicContact CE-CB 4.34Å; M125-L128 HydrophobicContact CE-CD2 3.77Å; M125-L128 PolarHBondContact O-N 3.31Å; M125-L128 HydrophobicContact SD-CD2 4.22Å; M125-A129 VanDerWaalsContact O-CB 3.23Å; M125-A129 WeakPolarHBondContact O-CB 3.37Å; M125-A129 PolarHBondContact O-N 3.04Å
126K97.8Very high96.2Very high11 Ų1157 Ų575%0.04831%0.311CS..Hα-helixtrans-58.7-44.2169.3-75.7174.4172.4144.10111.3F78 F79 A80 S118 Q119 F121 D122 A129 L130F78-K126 HydrophobicContact CD2-CD 4.35Å; F78-K126 HydrophobicContact CE2-CD 4.14Å; F78-K126 HydrophobicContact CE2-CG 4.32Å; F78-K126 HydrophobicContact CZ-CB 4.45Å; F79-K126 WeakPolarHBondContact O-CD 3.45Å; A80-K126 HydrophobicContact CB-CB 3.87Å; S118-K126 WeakPolarHBondContact O-CE 3.39Å; Q119-K126 PolarHBondContact O-NZ 3.45Å; F121-K126 HydrophobicContact CB-CG 3.77Å; F121-K126 WeakPolarHBondContact O-CE 3.37Å; F121-K126 PolarHBondContact O-NZ 3.11Å; D122-K126 WeakPolarHBondContact O-CB 3.43Å; D122-K126 WeakPolarHBondContact O-CG 3.45Å; D122-K126 PolarHBondContact O-N 2.81Å; K126-A129 PolarHBondContact O-N 2.98Å; K126-L130 WeakPolarHBondContact O-CB 3.42Å; K126-L130 PolarHBondContact O-N 3.2Å
127G96.2Very high96.1Very high2 Ų250.9 Ų50.92%0.02128%0.281CS..Hα-helixtrans-61.1-47.9174.800000113.4K81 A123 A124 M125 L130 S131K81-G127 WeakPolarHBondContact O-CA 3.38Å; A123-G127 PolarHBondContact O-N 3.38Å; A123-G127 VanDerWaalsContact O-N 3.07Å; A124-G127 PolarHBondContact O-N 3.26Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 2.93Å; G127-L130 PolarHBondContact O-N 3.31Å; G127-S131 WeakPolarHBondContact O-CB 3.47Å; G127-S131 PolarHBondContact O-N 2.95Å; G127-S131 PolarHBondContact O-OG 3.37Å
128L95.9Very high95.9Very high67 Ų6750.8 Ų50.835%0.35128%0.282SS..Hα-helixtrans-63.5-44.1178.4-176.561.7000111.2V83 A124 M125 L130 S131 N132V83-L128 HydrophobicContact CG1-CD1 4.48Å; A124-L128 WeakPolarHBondContact O-CB 3.31Å; A124-L128 PolarHBondContact O-N 2.99Å; M125-L128 HydrophobicContact CE-CB 4.34Å; M125-L128 HydrophobicContact CE-CD2 3.77Å; M125-L128 PolarHBondContact O-N 3.31Å; M125-L128 HydrophobicContact SD-CD2 4.22Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.83Å; L128-S131 WeakPolarHBondContact CA-OG 3.46Å; L128-S131 PolarHBondContact O-N 3.24Å; L128-S131 PolarHBondContact O-OG 2.88Å; L128-N132 WeakPolarHBondContact O-CB 3.43Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 2.81Å
129A97Very high95.8Very high15 Ų1551.9 Ų51.912%0.12429%0.289CS..Hα-helixtrans-59.1-44.5175.300000111.5F114 F117 F121 M125 K126 S131 N132 S133F114-A129 HydrophobicContact CE2-CB 3.99Å; F114-A129 HydrophobicContact CZ-CB 4.24Å; F117-A129 HydrophobicContact CE1-CB 4.23Å; F121-A129 HydrophobicContact CD2-CB 4.21Å; F121-A129 HydrophobicContact CE2-CB 4.13Å; M125-A129 VanDerWaalsContact O-CB 3.23Å; M125-A129 WeakPolarHBondContact O-CB 3.37Å; M125-A129 PolarHBondContact O-N 3.04Å; K126-A129 PolarHBondContact O-N 2.98Å; A129-S131 PolarHBondContact O-N 3.18Å; A129-N132 PolarHBondContact O-N 2.76Å; A129-S133 PolarHBondContact O-N 3.27Å; A129-S133 VanDerWaalsContact O-N 3.1Å
130L96.7Very high95.8Very high3 Ų348.4 Ų48.42%0.01627%0.273CS..Hα-helixtrans-61.1-46.1176.4-177.962.4000111.1Q91 V94 F114 K126 G127 L128 N132 S133 I136Q91-L130 HydrophobicContact CB-CD2 3.91Å; Q91-L130 HydrophobicContact CG-CD2 3.94Å; V94-L130 HydrophobicContact CG1-CD1 4.41Å; V94-L130 HydrophobicContact CG2-CD1 4.28Å; F114-L130 HydrophobicContact CE1-CB 4.37Å; F114-L130 HydrophobicContact CE1-CD1 4.02Å; F114-L130 HydrophobicContact CE2-CB 4.43Å; F114-L130 VanDerWaalsContact CZ-CA 3.46Å; F114-L130 HydrophobicContact CZ-CB 3.69Å; F114-L130 HydrophobicContact CZ-CD1 3.96Å; F114-L130 HydrophobicContact CZ-CG 4.44Å; K126-L130 WeakPolarHBondContact O-CB 3.42Å; K126-L130 PolarHBondContact O-N 3.2Å; G127-L130 PolarHBondContact O-N 3.31Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 2.83Å; L130-N132 PolarHBondContact O-N 3.25Å; L130-S133 WeakPolarHBondContact O-CB 3.32Å; L130-S133 PolarHBondContact O-N 3.39Å; L130-S133 VanDerWaalsContact O-N 3.16Å; L130-I136 HydrophobicContact CD1-CD1 3.76Å; L130-I136 HydrophobicContact CD1-CG2 4.11Å
131S93.4Very high95.7Very high9 Ų945.1 Ų45.16%0.06325%0.247CC..Hα-helixtrans-64.2-28.8-178.671.70000113.7W8 G127 L128 A129W8-S131 PolarHBondContact NE1-O 3.43Å; W8-S131 VanDerWaalsContact NE1-O 3.14Å; G127-S131 WeakPolarHBondContact O-CB 3.47Å; G127-S131 PolarHBondContact O-N 2.95Å; G127-S131 PolarHBondContact O-OG 3.37Å; L128-S131 WeakPolarHBondContact CA-OG 3.46Å; L128-S131 PolarHBondContact O-N 3.24Å; L128-S131 PolarHBondContact O-OG 2.88Å; A129-S131 PolarHBondContact O-N 3.18Å
132N94.6Very high95.4Very high106 Ų10644.6 Ų44.657%0.56725%0.251SS*.THydrogen-bonded Turntrans-94-0.2178.9-71.1-26.9000113.4L128 A129 L130 D134L128-N132 WeakPolarHBondContact O-CB 3.43Å; L128-N132 PolarHBondContact O-N 3.42Å; L128-N132 PolarHBondContact O-ND2 2.81Å; A129-N132 PolarHBondContact O-N 2.76Å; L130-N132 PolarHBondContact O-N 3.25Å; N132-D134 PolarHBondContact O-N 2.68Å; N132-D134 VanDerWaalsContact O-N 3.09Å
133S96Very high95Very high23 Ų2340.9 Ų40.916%0.16123%0.231CC..  trans-74.6101.4175.8179.20000110.3A129 L130 V135 I136 R137A129-S133 PolarHBondContact O-N 3.27Å; A129-S133 VanDerWaalsContact O-N 3.1Å; L130-S133 WeakPolarHBondContact O-CB 3.32Å; L130-S133 PolarHBondContact O-N 3.39Å; L130-S133 VanDerWaalsContact O-N 3.16Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.32Å; S133-I136 PolarHBondContact O-N 3.29Å; S133-I136 WeakPolarHBondContact OG-CD1 3.43Å; S133-I136 VanDerWaalsContact OG-CG1 3.31Å; S133-I136 WeakPolarHBondContact OG-CG1 3.37Å; S133-R137 VanDerWaalsContact O-CB 3.23Å; S133-R137 WeakPolarHBondContact O-CB 3.05Å; S133-R137 PolarHBondContact O-N 2.74Å
134D94.9Very high94.2Very high90 Ų9040.7 Ų40.748%0.48123%0.229SC..Hα-helixtrans-59.1-40.5-178.1-74.1-24000112.7N132 R137 Q138N132-D134 PolarHBondContact O-N 2.68Å; N132-D134 VanDerWaalsContact O-N 3.09Å; D134-R137 PolarHBondContact O-N 3.46Å; D134-R137 IonicContact OD1-CZ 3.35Å; D134-R137 IonicContact OD1-NE 2.89Å; D134-R137 IonicContact OD1-NH2 2.73Å; D134-R137 PolarHBondContact OD1-NH2 3.06Å; D134-Q138 WeakPolarHBondContact O-CB 3.48Å; D134-Q138 WeakPolarHBondContact O-CG 3.45Å; D134-Q138 PolarHBondContact O-N 3.46Å
135V95.6Very high93.2Very high79 Ų7945.9 Ų45.948%0.47924%0.239SC..Hα-helixtrans-64.7-49.1-179.5-178.20000110.3T110 S133 R137 Q138 V139T110-V135 HydrophobicContact CG2-CB 4.19Å; T110-V135 HydrophobicContact CG2-CG1 3.74Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.32Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.25Å; V135-Q138 PolarHBondContact O-N 2.93Å; V135-V139 WeakPolarHBondContact O-CG2 3.42Å; V135-V139 PolarHBondContact O-N 2.86Å
136I96.6Very high92.1Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-63-44.1178.9-64.1176.6000110W8 F25 T90 T110 L111 F114 L130 S133 Q138 V139 H140W8-I136 HydrophobicContact CH2-CG2 3.91Å; F25-I136 HydrophobicContact CD1-CG2 4.36Å; F25-I136 HydrophobicContact CE1-CB 4.28Å; F25-I136 HydrophobicContact CE1-CG2 3.64Å; F25-I136 HydrophobicContact CZ-CG2 4Å; T90-I136 HydrophobicContact CG2-CG2 3.55Å; T110-I136 HydrophobicContact CG2-CG1 4.22Å; L111-I136 HydrophobicContact CD2-CD1 4.3Å; F114-I136 HydrophobicContact CD1-CD1 4.42Å; F114-I136 HydrophobicContact CD2-CD1 4.31Å; F114-I136 HydrophobicContact CG-CD1 4.14Å; L130-I136 HydrophobicContact CD1-CD1 3.76Å; L130-I136 HydrophobicContact CD1-CG2 4.11Å; S133-I136 PolarHBondContact O-N 3.29Å; S133-I136 WeakPolarHBondContact OG-CD1 3.43Å; S133-I136 VanDerWaalsContact OG-CG1 3.31Å; S133-I136 WeakPolarHBondContact OG-CG1 3.37Å; I136-Q138 PolarHBondContact O-N 2.89Å; I136-V139 PolarHBondContact O-N 3.14Å; I136-H140 WeakPolarHBondContact O-CB 3.44Å; I136-H140 PolarHBondContact O-N 3.27Å
137R95.2Very high90.7Very high34 Ų3453.2 Ų53.213%0.12827%0.272CS..Hα-helixtrans-63.7-40.5178.9-174.8169.458.279-1.8112.5W8 S133 D134 V135 H140 N141W8-R137 HydrophobicContact CD2-CG 4.05Å; W8-R137 HydrophobicContact CG-CG 4.33Å; W8-R137 HydrophobicContact CH2-CB 4.19Å; W8-R137 HydrophobicContact CZ2-CB 3.72Å; W8-R137 HydrophobicContact CZ2-CG 4.04Å; W8-R137 VanDerWaalsContact NE1-CD 3.31Å; S133-R137 VanDerWaalsContact O-CB 3.23Å; S133-R137 WeakPolarHBondContact O-CB 3.05Å; S133-R137 PolarHBondContact O-N 2.74Å; D134-R137 PolarHBondContact O-N 3.46Å; D134-R137 IonicContact OD1-CZ 3.35Å; D134-R137 IonicContact OD1-NE 2.89Å; D134-R137 IonicContact OD1-NH2 2.73Å; D134-R137 PolarHBondContact OD1-NH2 3.06Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.25Å; R137-H140 PolarHBondContact O-N 3.39Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 2.96Å
138Q94.2Very high89.3Confident130 Ų13056.7 Ų56.761%0.60729%0.289SS*.Hα-helixtrans-64.3-44.5175.6-77.5177.22000111.6D134 V135 I136 N141 S142D134-Q138 WeakPolarHBondContact O-CB 3.48Å; D134-Q138 WeakPolarHBondContact O-CG 3.45Å; D134-Q138 PolarHBondContact O-N 3.46Å; V135-Q138 PolarHBondContact O-N 2.93Å; I136-Q138 PolarHBondContact O-N 2.89Å; Q138-N141 PolarHBondContact O-N 2.68Å; Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.03Å
139V95Very high88Confident24 Ų2458.8 Ų58.815%0.14530%0.295CS..Hα-helixtrans-60.6-49.1175.9172.40000110L21 G24 F25 V135 I136 N141 S142 F143L21-V139 HydrophobicContact CD1-CG1 3.8Å; G24-V139 WeakPolarHBondContact O-CG2 3.46Å; F25-V139 HydrophobicContact CD1-CB 3.85Å; F25-V139 HydrophobicContact CD1-CG1 3.56Å; F25-V139 HydrophobicContact CD1-CG2 4.33Å; F25-V139 HydrophobicContact CE1-CB 3.75Å; F25-V139 HydrophobicContact CE1-CG1 3.55Å; F25-V139 HydrophobicContact CG-CG1 4.44Å; F25-V139 HydrophobicContact CZ-CG1 4.45Å; V135-V139 WeakPolarHBondContact O-CG2 3.42Å; V135-V139 PolarHBondContact O-N 2.86Å; I136-V139 PolarHBondContact O-N 3.14Å; V139-N141 PolarHBondContact O-N 2.89Å; V139-S142 WeakPolarHBondContact O-CB 3.37Å; V139-S142 PolarHBondContact O-N 2.73Å; V139-S142 PolarHBondContact O-OG 3.45Å; V139-F143 HydrophobicContact CG1-CE2 4.17Å; V139-F143 WeakPolarHBondContact O-CD2 3.31Å
140H94.7Very high86.2Confident1 Ų167.6 Ų67.61%0.00533%0.334CS..Hα-helixtrans-52.5-56.5174.4175.9112.5000112.2W8 C9 M11 L21 N86 T90 I136 R137 S142 F143W8-H140 HydrophobicContact CE3-CB 3.98Å; W8-H140 AromaticContact CE3-CD2 3.72Å; W8-H140 AromaticContact CE3-CE1 3.68Å; W8-H140 AromaticContact CE3-CG 3.46Å; W8-H140 VanDerWaalsContact CE3-CG 3.46Å; W8-H140 AromaticContact CE3-ND1 3.43Å; W8-H140 AromaticContact CE3-NE2 3.86Å; W8-H140 HydrophobicContact CZ3-CB 3.68Å; W8-H140 AromaticContact CZ3-CG 3.57Å; W8-H140 AromaticContact CZ3-ND1 3.48Å; W8-H140 WeakPolarHBondContact CZ3-ND1 3.48Å; C9-H140 PolarHBondContact O-NE2 2.85Å; M11-H140 HydrophobicContact CE-CB 4.32Å; M11-H140 VanDerWaalsContact CE-CE1 3.44Å; M11-H140 WeakPolarHBondContact CE-CE1 3.44Å; M11-H140 WeakPolarHBondContact CE-ND1 3.45Å; L21-H140 HydrophobicContact CD1-CB 4.47Å; N86-H140 PolarHBondContact O-CE1 3.35Å; N86-H140 VanDerWaalsContact O-CE1 3.28Å; T90-H140 PolarHBondContact OG1-ND1 2.96Å; I136-H140 WeakPolarHBondContact O-CB 3.44Å; I136-H140 PolarHBondContact O-N 3.27Å; R137-H140 PolarHBondContact O-N 3.39Å; H140-S142 PolarHBondContact O-N 2.96Å; H140-F143 PolarHBondContact O-N 3.05Å
141N92.4Very high84.1Confident41 Ų4175.2 Ų75.222%0.21937%0.367CS..Hα-helixtrans-66.5-22.4-176.8-73.7-13.1000112.3E7 C9 R137 Q138 V139 F143 A144E7-N141 PolarHBondContact O-ND2 3.2Å; C9-N141 PolarHBondContact N-OD1 2.82Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 2.96Å; Q138-N141 PolarHBondContact O-N 2.68Å; V139-N141 PolarHBondContact O-N 2.89Å; N141-F143 PolarHBondContact O-N 3.4Å; N141-A144 WeakPolarHBondContact O-CB 3.36Å; N141-A144 PolarHBondContact O-N 3.48Å; N141-A144 VanDerWaalsContact O-N 3.11Å
142S90.7Very high81.7Confident55 Ų5580.4 Ų80.439%0.38539%0.394SS..Hα-helixtrans-62.3-25.4174.685.80000112Q138 V139 H140 K289Q138-S142 WeakPolarHBondContact O-CB 3.44Å; Q138-S142 PolarHBondContact O-N 3.03Å; V139-S142 WeakPolarHBondContact O-CB 3.37Å; V139-S142 PolarHBondContact O-N 2.73Å; V139-S142 PolarHBondContact O-OG 3.45Å; H140-S142 PolarHBondContact O-N 2.96Å; S142-K289 VanDerWaalsContact O-CD 3.28Å; S142-K289 WeakPolarHBondContact O-CD 3.44Å; S142-K289 WeakPolarHBondContact O-CE 3.45Å; S142-K289 PolarHBondContact O-NZ 3.13Å
143F87.2Confident79.4Confident20 Ų2082.2 Ų82.29%0.08841%0.41CS..THydrogen-bonded Turntrans-97.16.1177.5-63.2-86000113.8V17 E20 L21 V139 H140 N141 N285V17-F143 HydrophobicContact CG1-CB 3.98Å; V17-F143 HydrophobicContact CG1-CD1 4.44Å; V17-F143 HydrophobicContact CG1-CG 4.38Å; E20-F143 HydrophobicContact CB-CD1 4.49Å; E20-F143 HydrophobicContact CB-CE1 3.45Å; E20-F143 VanDerWaalsContact CB-CE1 3.45Å; E20-F143 HydrophobicContact CB-CZ 3.68Å; E20-F143 WeakPolarHBondContact O-CZ 3.3Å; L21-F143 HydrophobicContact CB-CD2 4.42Å; L21-F143 HydrophobicContact CB-CE2 4.37Å; L21-F143 HydrophobicContact CD1-CD2 3.5Å; L21-F143 VanDerWaalsContact CD1-CD2 3.5Å; L21-F143 HydrophobicContact CD1-CE2 3.87Å; L21-F143 HydrophobicContact CD1-CG 4.45Å; V139-F143 HydrophobicContact CG1-CE2 4.17Å; V139-F143 WeakPolarHBondContact O-CD2 3.31Å; H140-F143 PolarHBondContact O-N 3.05Å; N141-F143 PolarHBondContact O-N 3.4Å; F143-N285 WeakPolarHBondContact CD1-ND2 3.29Å; F143-N285 WeakPolarHBondContact CD1-OD1 3.49Å; F143-N285 VanDerWaalsContact CE1-ND2 3.27Å; F143-N285 WeakPolarHBondContact CE1-ND2 3.42Å
144A80.9Confident76.7Confident17 Ų1789.6 Ų89.614%0.1444%0.439CS..SBendtrans-63.3146.6175.300000111.5C9 N141C9-A144 HydrophobicContact CB-CB 3.36Å; C9-A144 VanDerWaalsContact SG-CB 3.51Å; N141-A144 WeakPolarHBondContact O-CB 3.36Å; N141-A144 PolarHBondContact O-N 3.48Å; N141-A144 VanDerWaalsContact O-N 3.11Å
145R75Confident74.2Confident153 Ų15391 Ų9158%0.57745%0.451SS*.  trans-63.3139.3166-73.1-179.1177.8-178.2-3.3109.1E12 Q147E12-R145 IonicContact OE1-CZ 3.95Å; E12-R145 IonicContact OE1-NH2 3.45Å; E12-R145 PolarHBondContact OE1-NH2 3.05Å; E12-R145 IonicContact OE2-CZ 3.83Å; E12-R145 IonicContact OE2-NE 3.74Å; E12-R145 PolarHBondContact OE2-NE 3.18Å; E12-R145 IonicContact OE2-NH2 3.15Å; E12-R145 PolarHBondContact OE2-NH2 3.02Å; R145-Q147 PolarHBondContact O-N 2.94Å; R145-Q147 VanDerWaalsContact O-N 3.13Å
146Q73.4Confident71.5Confident101 Ų10192.1 Ų92.147%0.47246%0.462SS..  trans-64.7115172.9-171.5105.423.400109.2M148 K289 N291Q146-M148 PolarHBondContact O-N 3.22Å; Q146-K289 PolarHBondContact OE1-O 2.77Å; Q146-N291 HydrophobicContact CG-CB 3.9Å
147Q69.1Low68.9Low147 Ų14796.1 Ų96.169%0.68750%0.495SS*.  trans-71.8122171.1-68.3-176.2-400109R145R145-Q147 PolarHBondContact O-N 2.94Å; R145-Q147 VanDerWaalsContact O-N 3.13Å
148M66Low66.5Low75 Ų75103.5 Ų103.537%0.36953%0.528SS..SBendtrans-78.4-23.1-178.5-62.9-176.1-162.800112.8Q146 I296Q146-M148 PolarHBondContact O-N 3.22Å; M148-I296 HydrophobicContact SD-CD1 4.43Å
149F70.3Confident64.4Low112 Ų112106.7 Ų106.749%0.49154%0.543SS..SBendtrans-139.4144.8-174.9-49.9-71.9000109.5F151 L293F149-F151 HydrophobicContact CB-CD2 4.18Å; F149-F151 HydrophobicContact CB-CE2 3.89Å; F149-F151 HydrophobicContact CB-CZ 4.31Å; F149-F151 AromaticContact CD2-CE2 4Å; F149-F151 HydrophobicContact CD2-CE2 4Å; F149-F151 HydrophobicContact CD2-CZ 4.08Å; F149-F151 HydrophobicContact CG-CE2 4.43Å; F149-F151 PolarHBondContact O-N 2.86Å; F149-L293 HydrophobicContact CE1-CD1 4.05Å; F149-L293 HydrophobicContact CE1-CD2 4.43Å; F149-L293 HydrophobicContact CZ-CD1 4.04Å
150E58.4Low62.8Low199 Ų199113.5 Ų113.593%0.9357%0.573SS**  trans-74.699.8164.5-69.3176.6177.300107.3D152E150-D152 PolarHBondContact O-N 3.25Å
151F52.4Low61.6Low163 Ų163116.2 Ų116.272%0.71559%0.588SS**  trans-81.6112.8172.6-77.2-81.2000108.9F149 T153F149-F151 HydrophobicContact CB-CD2 4.18Å; F149-F151 HydrophobicContact CB-CE2 3.89Å; F149-F151 HydrophobicContact CB-CZ 4.31Å; F149-F151 AromaticContact CD2-CE2 4Å; F149-F151 HydrophobicContact CD2-CE2 4Å; F149-F151 HydrophobicContact CD2-CZ 4.08Å; F149-F151 HydrophobicContact CG-CE2 4.43Å; F149-F151 PolarHBondContact O-N 2.86Å; F151-T153 PolarHBondContact O-N 3.42Å
152D42.3Very low61.1Low118 Ų118117 Ų11763%0.63160%0.6SS**  trans-64.4119.2168.5-145.8-2.7000107.4E150 K154E150-D152 PolarHBondContact O-N 3.25Å; D152-K154 PolarHBondContact O-N 2.93Å
153T46.8Very low60.9Low145 Ų145118.2 Ų118.289%0.8960%0.598SS**THydrogen-bonded Turntrans-66.314.1-166-7.80000114.5F151F151-T153 PolarHBondContact O-N 3.42Å
154K40.5Very low61.1Low178 Ų178117.6 Ų117.677%0.77460%0.595SS**THydrogen-bonded Turntrans-95.8-4.7-172.1-65.9-177.1-178.8170.30114.6D152 S156D152-K154 PolarHBondContact O-N 2.93Å; K154-S156 PolarHBondContact O-N 3.36Å
155T41.1Very low61.8Low120 Ų120117.4 Ų117.474%0.73659%0.591SS**SBendtrans-85.385.4-179.8-37.20000109.4A157T155-A157 PolarHBondContact O-N 3.42Å
156S39.5Very low62.7Low102 Ų102110.1 Ų110.171%0.71356%0.564SS**  trans10.986.1164.260.30000113.8K154 K158K154-S156 PolarHBondContact O-N 3.36Å; S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.03Å
157A42.1Very low63.9Low83 Ų83105.3 Ų105.369%0.68654%0.541SS*.  trans-57.2103.4164.900000106.1T155 E159T155-A157 PolarHBondContact O-N 3.42Å; A157-E159 PolarHBondContact O-N 3.49Å
158K43.7Very low65.3Low190 Ų19098.3 Ų98.383%0.82651%0.509SS*.  trans-43.7130.1149-70.1-179.7175.4-178.80104.9S156 E160S156-K158 VanDerWaalsContact C-N 3.31Å; S156-K158 PolarHBondContact O-N 3.03Å; K158-E160 VanDerWaalsContact C-N 3.25Å; K158-E160 VanDerWaalsContact O-CA 3.3Å; K158-E160 WeakPolarHBondContact O-CA 3.27Å; K158-E160 PolarHBondContact O-N 2.69Å
159E51.2Low66.9Low197 Ų19794.8 Ų94.892%0.92149%0.492SS*.  trans-36.695.1-179.7-72.1-169.6163.400109.5A157 D161A157-E159 PolarHBondContact O-N 3.49Å; E159-D161 PolarHBondContact O-N 3.38Å
160E60.5Low68.2Low167 Ų16789.9 Ų89.978%0.7847%0.471SS*.  trans-82.4128.5-169.3-162.4172.9-151.900104K158 A162K158-E160 VanDerWaalsContact C-N 3.25Å; K158-E160 VanDerWaalsContact O-CA 3.3Å; K158-E160 WeakPolarHBondContact O-CA 3.27Å; K158-E160 PolarHBondContact O-N 2.69Å; E160-A162 PolarHBondContact O-N 2.66Å
161D71.2Confident70.1Confident58 Ų5881.1 Ų81.131%0.3143%0.431SS..  trans-54.6108.9-175.2-75.1-41.8000109.4K57 E159 F163 R217K57-D161 HydrophobicContact CD-CB 4.35Å; K57-D161 WeakPolarHBondContact CE-OD1 3.21Å; K57-D161 IonicContact NZ-OD1 4Å; K57-D161 PolarHBondContact NZ-OD1 2.98Å; E159-D161 PolarHBondContact O-N 3.38Å; D161-F163 HydrophobicContact CB-CD2 4.48Å; D161-F163 HydrophobicContact CB-CE2 3.76Å; D161-F163 HydrophobicContact CB-CZ 4.16Å; D161-F163 WeakPolarHBondContact O-CD2 3.24Å; D161-F163 WeakPolarHBondContact O-CE2 3.5Å; D161-F163 PolarHBondContact O-N 2.68Å; D161-R217 IonicContact OD1-NH2 2.64Å; D161-R217 IonicContact OD2-CZ 2.56Å; D161-R217 VanDerWaalsContact OD2-CZ 3.23Å; D161-R217 IonicContact OD2-NH1 3.74Å; D161-R217 PolarHBondContact OD2-NH1 3.45Å; D161-R217 IonicContact OD2-NH2 3.59Å; D161-R217 PolarHBondContact OD2-NH2 3.45Å
162A80.3Confident72.1Confident57 Ų5779.9 Ų79.947%0.47143%0.432SS..  trans-79.9113.2-179.600000108.5W58 E160W58-A162 WeakPolarHBondContact CB-O 3.32Å; W58-A162 PolarHBondContact N-O 3.31Å; E160-A162 PolarHBondContact O-N 2.66Å
163F87.6Confident74.7Confident81 Ų8175.5 Ų75.536%0.35541%0.414SS..EExtended strand (participates in β ladder)trans-94143.3173.6-66.6-87.1000110.5L55 F56 K57 D161 R217L55-F163 HydrophobicContact CD1-CB 3.68Å; L55-F163 HydrophobicContact CG-CB 4.23Å; F56-F163 CarbonylContact O-C 3.57Å; F56-F163 VanDerWaalsContact O-CA 3.32Å; F56-F163 WeakPolarHBondContact O-CA 3.47Å; K57-F163 HydrophobicContact CB-CD1 4.24Å; K57-F163 HydrophobicContact CB-CE1 3.97Å; D161-F163 HydrophobicContact CB-CD2 4.48Å; D161-F163 HydrophobicContact CB-CE2 3.76Å; D161-F163 HydrophobicContact CB-CZ 4.16Å; D161-F163 WeakPolarHBondContact O-CD2 3.24Å; D161-F163 WeakPolarHBondContact O-CE2 3.5Å; D161-F163 PolarHBondContact O-N 2.68Å; F163-R217 HydrophobicContact CE1-CB 3.74Å; F163-R217 WeakPolarHBondContact CE1-O 3.47Å; F163-R217 HydrophobicContact CZ-CB 3.97Å
164H91.5Very high77.1Confident6 Ų672.5 Ų72.53%0.02839%0.387CS..EExtended strand (participates in β ladder)trans-133.4141.7-175.8-174.651.6000111.9L55 F56 W58 D179L55-H164 WeakPolarHBondContact CA-O 3.49Å; L55-H164 WeakPolarHBondContact CD1-O 3.35Å; F56-H164 HydrophobicContact CE2-CB 4.47Å; F56-H164 PolarHBondContact N-O 2.94Å; F56-H164 PolarHBondContact O-N 3.34Å; W58-H164 HydrophobicContact CB-CB 4.07Å; H164-D179 IonicContact CD2-OD1 2.73Å; H164-D179 IonicContact CE1-OD1 2.81Å; H164-D179 IonicContact NE2-OD1 3.98Å; H164-D179 PolarHBondContact NE2-OD1 3.1Å
165F94Very high79.9Confident13 Ų1364.1 Ų64.16%0.05735%0.35CS..EExtended strand (participates in β ladder)trans-100.5136.3177.3-70.1-82.9000111F18 I53 F54 L55 C88 A89 A92 M221F18-F165 HydrophobicContact CE2-CE1 4.27Å; F18-F165 AromaticContact CZ-CE1 3.88Å; F18-F165 HydrophobicContact CZ-CE1 3.88Å; F18-F165 AromaticContact CZ-CZ 3.86Å; F18-F165 HydrophobicContact CZ-CZ 3.86Å; I53-F165 HydrophobicContact CG2-CD1 3.51Å; I53-F165 HydrophobicContact CG2-CE1 4.15Å; I53-F165 HydrophobicContact CG2-CG 4.39Å; F54-F165 WeakPolarHBondContact O-CA 3.27Å; L55-F165 HydrophobicContact CB-CD1 3.8Å; L55-F165 HydrophobicContact CB-CE1 3.62Å; L55-F165 HydrophobicContact CB-CZ 4.28Å; L55-F165 HydrophobicContact CD1-CD1 3.81Å; L55-F165 HydrophobicContact CD1-CD2 3.77Å; L55-F165 HydrophobicContact CD1-CE1 3.71Å; L55-F165 HydrophobicContact CD1-CE2 3.64Å; L55-F165 HydrophobicContact CD1-CG 3.87Å; L55-F165 HydrophobicContact CD1-CZ 3.62Å; L55-F165 HydrophobicContact CD2-CE1 4.03Å; L55-F165 HydrophobicContact CD2-CZ 3.89Å; L55-F165 HydrophobicContact CG-CD1 4.34Å; L55-F165 HydrophobicContact CG-CE1 3.99Å; L55-F165 HydrophobicContact CG-CZ 4.14Å; C88-F165 HydrophobicContact CB-CD2 4.08Å; C88-F165 VanDerWaalsContact SG-CD2 3.54Å; A89-F165 HydrophobicContact CB-CD2 4.17Å; A89-F165 HydrophobicContact CB-CE2 3.8Å; A89-F165 HydrophobicContact CB-CZ 4.25Å; A92-F165 HydrophobicContact CB-CB 3.82Å; F165-M221 HydrophobicContact CE1-CE 4.21Å
166V95.8Very high82.6Confident0 Ų058.6 Ų58.60%032%0.316CS..EExtended strand (participates in β ladder)trans-127.5153.8166.7-58.50000109.9I53 F54 F56 Y168 D179I53-V166 WeakPolarHBondContact CA-O 3.46Å; F54-V166 HydrophobicContact CB-CG2 3.98Å; F54-V166 HydrophobicContact CD1-CG2 4.39Å; F54-V166 PolarHBondContact N-O 3.27Å; F54-V166 PolarHBondContact O-N 2.73Å; F56-V166 HydrophobicContact CD1-CG2 4.4Å; F56-V166 HydrophobicContact CE1-CB 4.2Å; F56-V166 HydrophobicContact CE1-CG1 3.59Å; F56-V166 HydrophobicContact CE1-CG2 3.64Å; F56-V166 HydrophobicContact CZ-CG1 3.81Å; V166-Y168 HydrophobicContact CG2-CE2 3.9Å; V166-D179 HydrophobicContact CB-CB 4.39Å; V166-D179 HydrophobicContact CG1-CB 3.63Å
167S98.4Very high85.4Confident0 Ų053.8 Ų53.80%028%0.282CS..EExtended strand (participates in β ladder)trans-115.5143.4178.6-59.80000111.7L52 A92 E177 L178L52-S167 CarbonylContact O-C 3.48Å; L52-S167 VanDerWaalsContact O-CA 3.23Å; L52-S167 WeakPolarHBondContact O-CA 3.13Å; A92-S167 VanDerWaalsContact CA-OG 3.24Å; A92-S167 WeakPolarHBondContact CA-OG 3.49Å; A92-S167 WeakPolarHBondContact CB-OG 3.46Å; A92-S167 PolarHBondContact O-OG 2.89Å; S167-E177 CarbonylContact O-C 3.54Å; S167-E177 WeakPolarHBondContact O-CA 3.42Å; S167-L178 PolarHBondContact N-O 2.91Å; S167-L178 PolarHBondContact O-N 2.99Å
168Y98.6Very high88.1Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-115.8127.8170.5-55.6-84.6000109.8G51 L52 F54 V166 Y176 E177 L188 V200 V203 I204 R207G51-Y168 CarbonylContact C-O 3.59Å; G51-Y168 VanDerWaalsContact CA-O 3.24Å; G51-Y168 WeakPolarHBondContact CA-O 3.24Å; L52-Y168 HydrophobicContact CB-CD2 4.24Å; L52-Y168 PolarHBondContact N-O 3.01Å; L52-Y168 PolarHBondContact O-N 2.9Å; F54-Y168 HydrophobicContact CB-CE2 3.82Å; F54-Y168 HydrophobicContact CG-CE2 4.49Å; V166-Y168 HydrophobicContact CG2-CE2 3.9Å; Y168-Y176 VanDerWaalsContact CA-O 3.27Å; Y168-Y176 WeakPolarHBondContact CA-O 3.3Å; Y168-E177 HydrophobicContact CD1-CB 3.85Å; Y168-E177 HydrophobicContact CD1-CG 4.33Å; Y168-E177 HydrophobicContact CE1-CB 3.72Å; Y168-E177 HydrophobicContact CE1-CG 3.85Å; Y168-L188 HydrophobicContact CD1-CD1 3.77Å; Y168-L188 HydrophobicContact CE1-CD1 4Å; Y168-V200 HydrophobicContact CD1-CG2 3.93Å; Y168-V200 HydrophobicContact CD2-CG2 4.25Å; Y168-V200 HydrophobicContact CG-CG2 3.7Å; Y168-V203 HydrophobicContact CE1-CG1 4.13Å; Y168-I204 HydrophobicContact CD2-CD1 4.25Å; Y168-I204 HydrophobicContact CD2-CG1 4.39Å; Y168-I204 HydrophobicContact CE2-CD1 4.23Å; Y168-I204 HydrophobicContact CE2-CG1 3.95Å; Y168-R207 PolarHBondContact OH-NH1 3.37Å
169V98.3Very high90.6Very high2 Ų241.2 Ų41.21%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-139.4139.3-177.5-65.80000112.1V96 N99 V171 Y176 L178V96-V169 HydrophobicContact CB-CG1 4.09Å; V96-V169 HydrophobicContact CG1-CG1 4.12Å; V96-V169 HydrophobicContact CG2-CG1 3.8Å; N99-V169 HydrophobicContact CB-CG2 4.35Å; V169-V171 HydrophobicContact CG2-CG2 4.03Å; V169-Y176 PolarHBondContact N-O 3.36Å; V169-Y176 PolarHBondContact O-N 3.23Å; V169-L178 HydrophobicContact CG2-CD1 3.65Å; V169-L178 HydrophobicContact CG2-CG 4.1Å
170P98Very high92.7Very high9 Ų932.2 Ų32.26%0.05817%0.172CC..EExtended strand (participates in β ladder)trans-82.9126.1166.736.2-36.7000110R174 Q193 W196P170-R174 CarbonylContact C-O 3.54Å; P170-R174 WeakPolarHBondContact CA-O 3.43Å; P170-Q193 PolarHBondContact O-NE2 2.85Å; P170-W196 HydrophobicContact CB-CB 3.88Å; P170-W196 HydrophobicContact CB-CD2 4.11Å; P170-W196 HydrophobicContact CB-CG 3.72Å; P170-W196 HydrophobicContact CG-CB 4.36Å; P170-W196 HydrophobicContact CG-CD2 3.77Å; P170-W196 HydrophobicContact CG-CG 3.66Å; P170-W196 HydrophobicContact CG-CZ2 4.29Å
171V97.5Very high94.3Very high14 Ų1427.6 Ų27.69%0.08515%0.153CC..EExtended strand (participates in β ladder)trans-132.6121.7173.4-176.80000108.7I77 N99 V169 G173 R174 Y176I77-V171 HydrophobicContact CG1-CG1 4.42Å; N99-V171 HydrophobicContact CB-CG2 3.98Å; V169-V171 HydrophobicContact CG2-CG2 4.03Å; V171-G173 VanDerWaalsContact C-N 3.3Å; V171-G173 PolarHBondContact O-N 3.25Å; V171-R174 PolarHBondContact N-O 3.05Å; V171-R174 PolarHBondContact O-N 2.91Å; V171-R174 VanDerWaalsContact O-N 3.08Å; V171-Y176 HydrophobicContact CB-CD2 3.9Å; V171-Y176 HydrophobicContact CB-CE2 3.81Å; V171-Y176 HydrophobicContact CG2-CD2 4.17Å
172N95.6Very high95.4Very high137 Ų13727.1 Ų27.173%0.73315%0.147SC*.THydrogen-bonded Turntrans51.444.1177.9-60.8-20.3000113.5R174N172-R174 VanDerWaalsContact C-N 3.29Å; N172-R174 PolarHBondContact O-N 3.17Å
173G96.1Very high96.1Very high26 Ų2631.1 Ų31.127%0.26816%0.156SC..THydrogen-bonded Turntrans73.816.6178.300000114.6V171 A190 C191V171-G173 VanDerWaalsContact C-N 3.3Å; V171-G173 PolarHBondContact O-N 3.25Å; G173-A190 WeakPolarHBondContact O-CA 3.46Å; G173-C191 CarbonylContact C-O 3.32Å; G173-C191 VanDerWaalsContact C-O 3.32Å; G173-C191 WeakPolarHBondContact CA-O 3.23Å; G173-C191 PolarHBondContact O-N 3.41Å
174R97.9Very high96.5Very high82 Ų8227.4 Ų27.431%0.30914%0.141SC..EExtended strand (participates in β ladder)trans-126.8146.8173.2-59.9-170.669.179.43.6110.7P170 V171 N172 Y176 D187 G189P170-R174 CarbonylContact C-O 3.54Å; P170-R174 WeakPolarHBondContact CA-O 3.43Å; V171-R174 PolarHBondContact N-O 3.05Å; V171-R174 PolarHBondContact O-N 2.91Å; V171-R174 VanDerWaalsContact O-N 3.08Å; N172-R174 VanDerWaalsContact C-N 3.29Å; N172-R174 PolarHBondContact O-N 3.17Å; R174-Y176 HydrophobicContact CB-CE2 3.67Å; R174-D187 IonicContact CZ-OD1 3.53Å; R174-D187 IonicContact CZ-OD2 2.77Å; R174-D187 IonicContact NE-OD1 3.52Å; R174-D187 PolarHBondContact NE-OD1 2.88Å; R174-D187 IonicContact NE-OD2 3.48Å; R174-D187 PolarHBondContact NE-OD2 3.35Å; R174-D187 IonicContact NH2-OD1 2.74Å; R174-D187 PolarHBondContact NH2-OD1 2.83Å; R174-D187 IonicContact NH2-OD2 2.71Å; R174-D187 PolarHBondContact NH2-OD2 3.47Å; R174-G189 CarbonylContact C-O 3.52Å; R174-G189 WeakPolarHBondContact CA-O 3.34Å
175L98.5Very high96.8Very high2 Ų227.1 Ų27.11%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-95.4133.6179.2-177.564.3000110.1L188 G189 C191 W196 A199 V200L175-L188 HydrophobicContact CB-CB 4.14Å; L175-L188 HydrophobicContact CD2-CB 4.04Å; L175-L188 HydrophobicContact CD2-CD1 3.97Å; L175-L188 HydrophobicContact CG-CB 4.03Å; L175-L188 HydrophobicContact CG-CD1 3.96Å; L175-L188 WeakPolarHBondContact O-CB 3.23Å; L175-L188 PolarHBondContact O-N 3.29Å; L175-G189 PolarHBondContact N-O 2.96Å; L175-C191 HydrophobicContact CB-CB 4.31Å; L175-W196 HydrophobicContact CD1-CE3 3.64Å; L175-W196 HydrophobicContact CD1-CZ3 3.96Å; L175-A199 HydrophobicContact CD2-CB 4.16Å; L175-V200 HydrophobicContact CD1-CB 4.27Å; L175-V200 HydrophobicContact CD1-CG2 4.37Å; L175-V200 HydrophobicContact CD2-CB 3.66Å; L175-V200 HydrophobicContact CD2-CG2 3.98Å
176Y98.7Very high97Very high5 Ų526.5 Ų26.52%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-124.4139.2179.3-63.3-79.5000111.8V69 R73 I77 Y168 V169 V171 R174 P185 I186 D187V69-Y176 HydrophobicContact CG2-CD1 4.16Å; V69-Y176 HydrophobicContact CG2-CE1 3.76Å; R73-Y176 WeakPolarHBondContact CD-OH 3.49Å; R73-Y176 PolarHBondContact NH1-OH 2.92Å; I77-Y176 HydrophobicContact CD1-CD1 4.01Å; I77-Y176 HydrophobicContact CD1-CD2 4.18Å; I77-Y176 HydrophobicContact CD1-CE1 3.62Å; I77-Y176 HydrophobicContact CD1-CE2 3.8Å; I77-Y176 HydrophobicContact CD1-CG 4.26Å; I77-Y176 VanDerWaalsContact CD1-CZ 3.49Å; Y168-Y176 VanDerWaalsContact CA-O 3.27Å; Y168-Y176 WeakPolarHBondContact CA-O 3.3Å; V169-Y176 PolarHBondContact N-O 3.36Å; V169-Y176 PolarHBondContact O-N 3.23Å; V171-Y176 HydrophobicContact CB-CD2 3.9Å; V171-Y176 HydrophobicContact CB-CE2 3.81Å; V171-Y176 HydrophobicContact CG2-CD2 4.17Å; R174-Y176 HydrophobicContact CB-CE2 3.67Å; Y176-P185 HydrophobicContact CD1-CB 4.19Å; Y176-I186 CarbonylContact C-O 3.54Å; Y176-I186 VanDerWaalsContact CA-O 3.29Å; Y176-I186 WeakPolarHBondContact CA-O 3.46Å; Y176-D187 HydrophobicContact CD1-CB 4.36Å; Y176-D187 HydrophobicContact CE1-CB 4.06Å
177E98.5Very high97.2Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-96.4127.1160.9169.7-173.2164.200109S167 Y168 I186 L188 R207S167-E177 CarbonylContact O-C 3.54Å; S167-E177 WeakPolarHBondContact O-CA 3.42Å; Y168-E177 HydrophobicContact CD1-CB 3.85Å; Y168-E177 HydrophobicContact CD1-CG 4.33Å; Y168-E177 HydrophobicContact CE1-CB 3.72Å; Y168-E177 HydrophobicContact CE1-CG 3.85Å; E177-I186 HydrophobicContact CB-CB 4.09Å; E177-I186 HydrophobicContact CG-CD1 4.35Å; E177-I186 PolarHBondContact N-O 3.34Å; E177-I186 PolarHBondContact O-N 3.11Å; E177-L188 HydrophobicContact CB-CD1 3.87Å; E177-L188 HydrophobicContact CB-CG 4.31Å; E177-R207 VanDerWaalsContact CD-NH1 3.27Å; E177-R207 IonicContact OE1-CZ 2.81Å; E177-R207 IonicContact OE1-NH1 3.25Å; E177-R207 PolarHBondContact OE1-NH1 3.06Å; E177-R207 IonicContact OE1-NH2 2.68Å; E177-R207 IonicContact OE2-NH1 3.61Å
178L98.2Very high97.1Very high4 Ų428.8 Ų28.82%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-112.994.1178.5-51.1-178.8000108.1I77 F79 N99 S167 V169 P185I77-L178 HydrophobicContact CG2-CD2 4.24Å; F79-L178 HydrophobicContact CD2-CB 4.37Å; F79-L178 HydrophobicContact CD2-CD2 4.08Å; N99-L178 WeakPolarHBondContact ND2-CD1 3.35Å; S167-L178 PolarHBondContact N-O 2.91Å; S167-L178 PolarHBondContact O-N 2.99Å; V169-L178 HydrophobicContact CG2-CD1 3.65Å; V169-L178 HydrophobicContact CG2-CG 4.1Å; L178-P185 HydrophobicContact CD2-CB 3.76Å; L178-P185 HydrophobicContact CD2-CG 4.08Å
179D96.3Very high97.1Very high6 Ų629.9 Ų29.93%0.03216%0.16CC..EExtended strand (participates in β ladder)trans-106.1114.3176.1175.4-4.8000109F79 H164 V166 L181 R182F79-D179 WeakPolarHBondContact CE2-O 3.32Å; F79-D179 WeakPolarHBondContact CZ-O 3.22Å; H164-D179 IonicContact CD2-OD1 2.73Å; H164-D179 IonicContact CE1-OD1 2.81Å; H164-D179 IonicContact NE2-OD1 3.98Å; H164-D179 PolarHBondContact NE2-OD1 3.1Å; V166-D179 HydrophobicContact CB-CB 4.39Å; V166-D179 HydrophobicContact CG1-CB 3.63Å; D179-L181 PolarHBondContact O-N 3.15Å; D179-L181 WeakPolarHBondContact OD1-CB 3.45Å; D179-L181 PolarHBondContact OD1-N 3.2Å; D179-R182 HydrophobicContact CB-CB 4.37Å; D179-R182 HydrophobicContact CB-CG 3.6Å; D179-R182 WeakPolarHBondContact O-CB 3.42Å; D179-R182 PolarHBondContact O-N 3.25Å; D179-R182 WeakPolarHBondContact OD2-CG 3.23Å; D179-R182 IonicContact OD2-NE 3.17Å; D179-R182 PolarHBondContact OD2-NE 2.78Å
180G95.2Very high97Very high7 Ų733.5 Ų33.57%0.07219%0.19CC..THydrogen-bonded Turntrans-61.3-16.2-178.100000114.6K81 Q82K81-G180 CarbonylContact C-O 3.59Å; K81-G180 WeakPolarHBondContact CA-O 3.45Å; Q82-G180 PolarHBondContact N-O 2.74Å
181L93.6Very high97Very high70 Ų7034 Ų3437%0.36619%0.193SC..THydrogen-bonded Turntrans-88.9-7.2176.3-60177.5000112.9Q82 D179Q82-L181 HydrophobicContact CB-CD2 4.21Å; D179-L181 PolarHBondContact O-N 3.15Å; D179-L181 WeakPolarHBondContact OD1-CB 3.45Å; D179-L181 PolarHBondContact OD1-N 3.2Å
182R94.9Very high96.8Very high49 Ų4937.9 Ų37.919%0.18521%0.214CC..SBendtrans-88169.2176.1-59.9-69-173.4172.25.1111.5E62 K81 D179 I186E62-R182 VanDerWaalsContact O-CZ 3.27Å; E62-R182 PolarHBondContact O-NH1 2.96Å; E62-R182 PolarHBondContact O-NH2 3.31Å; K81-R182 VanDerWaalsContact CE-O 3.27Å; K81-R182 WeakPolarHBondContact CE-O 3.45Å; D179-R182 HydrophobicContact CB-CB 4.37Å; D179-R182 HydrophobicContact CB-CG 3.6Å; D179-R182 WeakPolarHBondContact O-CB 3.42Å; D179-R182 PolarHBondContact O-N 3.25Å; D179-R182 WeakPolarHBondContact OD2-CG 3.23Å; D179-R182 IonicContact OD2-NE 3.17Å; D179-R182 PolarHBondContact OD2-NE 2.78Å; R182-I186 HydrophobicContact CG-CD1 4.03Å
183E93.9Very high96.5Very high140 Ų14035 Ų3565%0.65420%0.196SC*.SBendtrans-77.8-20177.2-61.1-51134.800113.7K81K81-E183 IonicContact NZ-OE1 3.43Å; K81-E183 PolarHBondContact NZ-OE1 3.32Å; K81-E183 IonicContact NZ-OE2 3.6Å; K81-E183 PolarHBondContact NZ-OE2 2.85Å
184G97.1Very high96.1Very high4 Ų440 Ų404%0.04122%0.217CC..SBendtrans-169.4175.7-176.600000112
185P98.4Very high95.8Very high0 Ų039 Ų390%022%0.217CC..PPolyproline II helixtrans-55.1141.9170.2-21.932.8000111.4V69 L74 I77 F79 Y176 L178V69-P185 HydrophobicContact CB-CB 4.29Å; V69-P185 HydrophobicContact CG2-CB 4.04Å; V69-P185 WeakPolarHBondContact CG2-O 3.36Å; V69-P185 PolarHBondContact N-O 3.13Å; L74-P185 HydrophobicContact CD2-CG 4.13Å; I77-P185 HydrophobicContact CB-CG 4.49Å; I77-P185 HydrophobicContact CG2-CB 4.43Å; I77-P185 HydrophobicContact CG2-CG 3.83Å; F79-P185 HydrophobicContact CB-CG 3.73Å; F79-P185 HydrophobicContact CD2-CG 4.05Å; F79-P185 HydrophobicContact CG-CG 3.89Å; Y176-P185 HydrophobicContact CD1-CB 4.19Å; L178-P185 HydrophobicContact CD2-CB 3.76Å; L178-P185 HydrophobicContact CD2-CG 4.08Å
186I98.4Very high95.7Very high0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-98.9121.3171.1-64.4166000107.7P64 Y176 E177 R182 L188P64-I186 HydrophobicContact CB-CD1 3.79Å; P64-I186 HydrophobicContact CB-CG1 4.21Å; Y176-I186 CarbonylContact C-O 3.54Å; Y176-I186 VanDerWaalsContact CA-O 3.29Å; Y176-I186 WeakPolarHBondContact CA-O 3.46Å; E177-I186 HydrophobicContact CB-CB 4.09Å; E177-I186 HydrophobicContact CG-CD1 4.35Å; E177-I186 PolarHBondContact N-O 3.34Å; E177-I186 PolarHBondContact O-N 3.11Å; R182-I186 HydrophobicContact CG-CD1 4.03Å; I186-L188 HydrophobicContact CG2-CD2 3.94Å
187D98.5Very high95.6Very high10 Ų1039.3 Ų39.35%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-80.8120.3174.5-174.1-14.5000110S67 V69 R73 R174 Y176 G189S67-D187 PolarHBondContact N-O 2.66Å; S67-D187 PolarHBondContact O-N 2.78Å; V69-D187 HydrophobicContact CG2-CB 3.93Å; R73-D187 IonicContact CZ-OD2 2.79Å; R73-D187 IonicContact NH1-OD2 2.77Å; R73-D187 PolarHBondContact NH1-OD2 3.41Å; R73-D187 IonicContact NH2-OD2 3.66Å; R174-D187 IonicContact CZ-OD1 3.53Å; R174-D187 IonicContact CZ-OD2 2.77Å; R174-D187 IonicContact NE-OD1 3.52Å; R174-D187 PolarHBondContact NE-OD1 2.88Å; R174-D187 IonicContact NE-OD2 3.48Å; R174-D187 PolarHBondContact NE-OD2 3.35Å; R174-D187 IonicContact NH2-OD1 2.74Å; R174-D187 PolarHBondContact NH2-OD1 2.83Å; R174-D187 IonicContact NH2-OD2 2.71Å; R174-D187 PolarHBondContact NH2-OD2 3.47Å; Y176-D187 HydrophobicContact CD1-CB 4.36Å; Y176-D187 HydrophobicContact CE1-CB 4.06Å; D187-G189 PolarHBondContact OD1-N 3.5Å
188L98.1Very high95.4Very high37 Ų3742.8 Ų42.819%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-101.33.3-178.1-61.3175.6000113A65 Y168 L175 E177 I186 V203A65-L188 HydrophobicContact CB-CD2 3.79Å; Y168-L188 HydrophobicContact CD1-CD1 3.77Å; Y168-L188 HydrophobicContact CE1-CD1 4Å; L175-L188 HydrophobicContact CB-CB 4.14Å; L175-L188 HydrophobicContact CD2-CB 4.04Å; L175-L188 HydrophobicContact CD2-CD1 3.97Å; L175-L188 HydrophobicContact CG-CB 4.03Å; L175-L188 HydrophobicContact CG-CD1 3.96Å; L175-L188 WeakPolarHBondContact O-CB 3.23Å; L175-L188 PolarHBondContact O-N 3.29Å; E177-L188 HydrophobicContact CB-CD1 3.87Å; E177-L188 HydrophobicContact CB-CG 4.31Å; I186-L188 HydrophobicContact CG2-CD2 3.94Å; L188-V203 HydrophobicContact CD1-CG1 3.99Å; L188-V203 HydrophobicContact CD1-CG2 4.32Å; L188-V203 HydrophobicContact CD2-CG1 4.21Å
189G97.2Very high95.3Very high23 Ų2344 Ų4424%0.23725%0.254CS..EExtended strand (participates in β ladder)trans109.8-173.3177.300000114.1R174 L175 D187R174-G189 CarbonylContact C-O 3.52Å; R174-G189 WeakPolarHBondContact CA-O 3.34Å; L175-G189 PolarHBondContact N-O 2.96Å; D187-G189 PolarHBondContact OD1-N 3.5Å
190A97.4Very high95.3Very high79 Ų7943.7 Ų43.765%0.65325%0.252SS*.EExtended strand (participates in β ladder)trans-77.314517900000111.3G173G173-A190 WeakPolarHBondContact O-CA 3.46Å
191C96.7Very high95.3Very high19 Ų1945.5 Ų45.513%0.12826%0.257CS..  trans-144.1155.5173.765.10000110.6G173 L175 Q193 W196 A199G173-C191 CarbonylContact C-O 3.32Å; G173-C191 VanDerWaalsContact C-O 3.32Å; G173-C191 WeakPolarHBondContact CA-O 3.23Å; G173-C191 PolarHBondContact O-N 3.41Å; L175-C191 HydrophobicContact CB-CB 4.31Å; C191-Q193 PolarHBondContact O-N 3.29Å; C191-W196 HydrophobicContact CB-CB 3.92Å; C191-A199 HydrophobicContact CB-CB 3.81Å
192N94.3Very high95.3Very high95 Ų9545.5 Ų45.551%0.50826%0.261SS..  trans-71.3125.7165.7-175.1-11.9000108.3D194 D195 W196N192-D194 PolarHBondContact O-N 2.84Å; N192-D194 PolarHBondContact OD1-N 3.25Å; N192-D195 HydrophobicContact CB-CB 4.35Å; N192-D195 CarbonylContact O-C 3.57Å; N192-D195 VanDerWaalsContact O-C 3.26Å; N192-D195 PolarHBondContact O-N 3.1Å; N192-D195 VanDerWaalsContact O-N 3.12Å; N192-W196 VanDerWaalsContact O-CA 3.29Å; N192-W196 WeakPolarHBondContact O-CA 3.15Å; N192-W196 VanDerWaalsContact O-CB 3.28Å; N192-W196 WeakPolarHBondContact O-CB 3.32Å; N192-W196 PolarHBondContact O-N 2.79Å
193Q89.3Confident95.3Very high76 Ų7644.4 Ų44.436%0.35526%0.26SS..THydrogen-bonded Turntrans-58.2-31.8179.9-166.470.530.700112P170 C191P170-Q193 PolarHBondContact O-NE2 2.85Å; C191-Q193 PolarHBondContact O-N 3.29Å
194D87.4Confident95.3Very high133 Ų13337.8 Ų37.871%0.71123%0.229SC*.THydrogen-bonded Turntrans-88.1-17.2-179.2-58.2-37.9000113.2N192N192-D194 PolarHBondContact O-N 2.84Å; N192-D194 PolarHBondContact OD1-N 3.25Å
195D90.2Very high95.1Very high60 Ų6040.8 Ų40.832%0.32124%0.242SC..SBendtrans-142.352-178.5-169.844.4000112.6K47 N192 I197 S198K47-D195 WeakPolarHBondContact CE-OD1 3.42Å; K47-D195 IonicContact NZ-OD1 2.86Å; K47-D195 PolarHBondContact NZ-OD1 2.93Å; N192-D195 HydrophobicContact CB-CB 4.35Å; N192-D195 CarbonylContact O-C 3.57Å; N192-D195 VanDerWaalsContact O-C 3.26Å; N192-D195 PolarHBondContact O-N 3.1Å; N192-D195 VanDerWaalsContact O-N 3.12Å; D195-I197 VanDerWaalsContact C-N 3.27Å; D195-I197 PolarHBondContact O-N 3.43Å; D195-S198 PolarHBondContact O-OG 3.3Å
196W96.7Very high94.8Very high6 Ų647.2 Ų47.22%0.02327%0.27CS..THydrogen-bonded Turntrans-79-11-17762.1-84.2000113.4V49 L52 P170 L175 C191 N192 S198 A199 V200V49-W196 HydrophobicContact CB-CZ2 4.18Å; V49-W196 HydrophobicContact CG1-CH2 4.45Å; V49-W196 HydrophobicContact CG1-CZ2 3.81Å; V49-W196 PolarHBondContact O-NE1 3.16Å; L52-W196 HydrophobicContact CB-CH2 4.43Å; L52-W196 HydrophobicContact CD1-CH2 4.39Å; L52-W196 HydrophobicContact CD1-CZ3 4.36Å; L52-W196 HydrophobicContact CG-CH2 3.77Å; L52-W196 HydrophobicContact CG-CZ3 4.21Å; P170-W196 HydrophobicContact CB-CB 3.88Å; P170-W196 HydrophobicContact CB-CD2 4.11Å; P170-W196 HydrophobicContact CB-CG 3.72Å; P170-W196 HydrophobicContact CG-CB 4.36Å; P170-W196 HydrophobicContact CG-CD2 3.77Å; P170-W196 HydrophobicContact CG-CG 3.66Å; P170-W196 HydrophobicContact CG-CZ2 4.29Å; L175-W196 HydrophobicContact CD1-CE3 3.64Å; L175-W196 HydrophobicContact CD1-CZ3 3.96Å; C191-W196 HydrophobicContact CB-CB 3.92Å; N192-W196 VanDerWaalsContact O-CA 3.29Å; N192-W196 WeakPolarHBondContact O-CA 3.15Å; N192-W196 VanDerWaalsContact O-CB 3.28Å; N192-W196 WeakPolarHBondContact O-CB 3.32Å; N192-W196 PolarHBondContact O-N 2.79Å; W196-S198 VanDerWaalsContact C-N 3.27Å; W196-S198 PolarHBondContact O-N 3.18Å; W196-A199 WeakPolarHBondContact O-CB 3.41Å; W196-A199 PolarHBondContact O-N 3.45Å; W196-V200 HydrophobicContact CE3-CB 4.08Å; W196-V200 HydrophobicContact CE3-CG1 3.97Å; W196-V200 HydrophobicContact CZ3-CB 4.04Å; W196-V200 HydrophobicContact CZ3-CG1 3.82Å; W196-V200 HydrophobicContact CZ3-CG2 4.27Å; W196-V200 PolarHBondContact O-N 3.49Å; W196-V200 VanDerWaalsContact O-N 3.17Å
197I96.3Very high94.3Very high7 Ų747.8 Ų47.84%0.03627%0.272CS..Hα-helixtrans-61-38.2179.6-59.7-57.2000111.2F43 V49 D195 A199 V200 R201F43-I197 HydrophobicContact CB-CG1 4.35Å; F43-I197 HydrophobicContact CB-CG2 3.73Å; F43-I197 HydrophobicContact CD1-CD1 3.99Å; F43-I197 HydrophobicContact CD1-CG1 4.3Å; F43-I197 HydrophobicContact CD1-CG2 3.79Å; F43-I197 HydrophobicContact CD2-CG2 3.7Å; F43-I197 HydrophobicContact CE1-CD1 4.39Å; F43-I197 HydrophobicContact CE1-CG2 4.28Å; F43-I197 HydrophobicContact CE2-CG2 4.17Å; F43-I197 HydrophobicContact CG-CG2 3.47Å; F43-I197 VanDerWaalsContact CG-CG2 3.47Å; F43-I197 HydrophobicContact CZ-CG2 4.44Å; V49-I197 HydrophobicContact CB-CD1 4.06Å; V49-I197 HydrophobicContact CG1-CD1 4.07Å; V49-I197 HydrophobicContact CG2-CD1 4.27Å; D195-I197 VanDerWaalsContact C-N 3.27Å; D195-I197 PolarHBondContact O-N 3.43Å; I197-A199 PolarHBondContact O-N 3.33Å; I197-V200 HydrophobicContact CD1-CG1 4.44Å; I197-V200 PolarHBondContact O-N 3.26Å; I197-R201 HydrophobicContact CG2-CG 4.06Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.36Å; I197-R201 PolarHBondContact O-N 3.1Å
198S94.6Very high93.8Very high74 Ų7449.4 Ų49.452%0.51728%0.28SS..Hα-helixtrans-57.8-32.2175.6600000112.6D195 W196 P202D195-S198 PolarHBondContact O-OG 3.3Å; W196-S198 VanDerWaalsContact C-N 3.27Å; W196-S198 PolarHBondContact O-N 3.18Å; S198-P202 WeakPolarHBondContact O-CD 3.24Å
199A96.2Very high93.3Very high29 Ų2955 Ų5524%0.2431%0.305CS..Hα-helixtrans-81.7-36.4178.200000113.2L175 C191 W196 I197 P202L175-A199 HydrophobicContact CD2-CB 4.16Å; C191-A199 HydrophobicContact CB-CB 3.81Å; W196-A199 WeakPolarHBondContact O-CB 3.41Å; W196-A199 PolarHBondContact O-N 3.45Å; I197-A199 PolarHBondContact O-N 3.33Å; A199-P202 WeakPolarHBondContact O-CD 3.47Å; A199-P202 WeakPolarHBondContact O-CG 3.27Å
200V96.7Very high92.7Very high0 Ų058.3 Ų58.30%031%0.313CS..Hα-helixtrans-81-30.6-176.677.20000113.4L52 Y168 L175 W196 I197 V203 I204L52-V200 HydrophobicContact CD1-CG1 3.64Å; L52-V200 HydrophobicContact CD1-CG2 4.34Å; Y168-V200 HydrophobicContact CD1-CG2 3.93Å; Y168-V200 HydrophobicContact CD2-CG2 4.25Å; Y168-V200 HydrophobicContact CG-CG2 3.7Å; L175-V200 HydrophobicContact CD1-CB 4.27Å; L175-V200 HydrophobicContact CD1-CG2 4.37Å; L175-V200 HydrophobicContact CD2-CB 3.66Å; L175-V200 HydrophobicContact CD2-CG2 3.98Å; W196-V200 HydrophobicContact CE3-CB 4.08Å; W196-V200 HydrophobicContact CE3-CG1 3.97Å; W196-V200 HydrophobicContact CZ3-CB 4.04Å; W196-V200 HydrophobicContact CZ3-CG1 3.82Å; W196-V200 HydrophobicContact CZ3-CG2 4.27Å; W196-V200 PolarHBondContact O-N 3.49Å; W196-V200 VanDerWaalsContact O-N 3.17Å; I197-V200 HydrophobicContact CD1-CG1 4.44Å; I197-V200 PolarHBondContact O-N 3.26Å; V200-V203 WeakPolarHBondContact O-CA 3.2Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 2.96Å; V200-I204 HydrophobicContact CG1-CD1 4.48Å; V200-I204 HydrophobicContact CG2-CD1 3.99Å; V200-I204 HydrophobicContact CG2-CG1 4.18Å; V200-I204 PolarHBondContact O-N 3.49Å
201R95.3Very high91.9Very high45 Ų4555.5 Ų55.517%0.1729%0.285CS..Hα-helixtrans-49.1-55.1179.2-82.9-177.962.7-173.512114.1L38 E39 F43 I197 V203 I204 E205L38-R201 WeakPolarHBondContact O-CD 3.4Å; L38-R201 PolarHBondContact O-NE 3.3Å; L38-R201 PolarHBondContact O-NH2 2.87Å; L38-R201 VanDerWaalsContact O-NH2 3.16Å; E39-R201 IonicContact OE2-NH2 2.74Å; F43-R201 HydrophobicContact CE2-CG 4.3Å; I197-R201 HydrophobicContact CG2-CG 4.06Å; I197-R201 VanDerWaalsContact O-CG 3.31Å; I197-R201 WeakPolarHBondContact O-CG 3.36Å; I197-R201 PolarHBondContact O-N 3.1Å; R201-V203 PolarHBondContact O-N 2.56Å; R201-I204 PolarHBondContact O-N 2.92Å; R201-I204 VanDerWaalsContact O-N 3.14Å; R201-E205 IonicContact CZ-OE1 2.76Å; R201-E205 IonicContact NE-OE1 2.9Å; R201-E205 IonicContact NH2-OE1 3.73Å; R201-E205 PolarHBondContact NH2-OE1 3.49Å; R201-E205 WeakPolarHBondContact O-CB 3.32Å; R201-E205 WeakPolarHBondContact O-CG 3.35Å; R201-E205 PolarHBondContact O-N 2.74Å
202P94.5Very high90.8Very high69 Ų6959.1 Ų59.145%0.44831%0.311SS..Hα-helixtrans-63.1-27.118024.7-35.2000112.8S198 A199 K206S198-P202 WeakPolarHBondContact O-CD 3.24Å; A199-P202 WeakPolarHBondContact O-CD 3.47Å; A199-P202 WeakPolarHBondContact O-CG 3.27Å; P202-K206 WeakPolarHBondContact O-CB 3.44Å; P202-K206 PolarHBondContact O-N 3.35Å
203V95Very high89.7Confident27 Ų2764.5 Ų64.516%0.16433%0.333CS..Hα-helixtrans-68.3-46.5175.6-177.30000110.4A65 Y168 L188 V200 R201 R207A65-V203 HydrophobicContact CB-CG1 4.29Å; Y168-V203 HydrophobicContact CE1-CG1 4.13Å; L188-V203 HydrophobicContact CD1-CG1 3.99Å; L188-V203 HydrophobicContact CD1-CG2 4.32Å; L188-V203 HydrophobicContact CD2-CG1 4.21Å; V200-V203 WeakPolarHBondContact O-CA 3.2Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 2.96Å; R201-V203 PolarHBondContact O-N 2.56Å; V203-R207 PolarHBondContact O-N 3.36Å
204I93.7Very high88.9Confident1 Ų164.1 Ų64.11%0.00535%0.35CS..Hα-helixtrans-67.7-45178-64174.7000110.7L38 L52 F54 Y168 V200 R201 K206 R207 I208 L220L38-I204 HydrophobicContact CD1-CB 4.49Å; L38-I204 HydrophobicContact CD1-CG2 3.9Å; L38-I204 HydrophobicContact CD2-CG2 4.15Å; L52-I204 HydrophobicContact CD1-CD1 3.56Å; F54-I204 HydrophobicContact CD2-CG2 4.46Å; F54-I204 HydrophobicContact CE2-CG2 4.21Å; F54-I204 HydrophobicContact CZ-CG2 4.5Å; Y168-I204 HydrophobicContact CD2-CD1 4.25Å; Y168-I204 HydrophobicContact CD2-CG1 4.39Å; Y168-I204 HydrophobicContact CE2-CD1 4.23Å; Y168-I204 HydrophobicContact CE2-CG1 3.95Å; V200-I204 HydrophobicContact CG1-CD1 4.48Å; V200-I204 HydrophobicContact CG2-CD1 3.99Å; V200-I204 HydrophobicContact CG2-CG1 4.18Å; V200-I204 PolarHBondContact O-N 3.49Å; R201-I204 PolarHBondContact O-N 2.92Å; R201-I204 VanDerWaalsContact O-N 3.14Å; I204-K206 PolarHBondContact O-N 3.46Å; I204-R207 WeakPolarHBondContact O-CB 3.39Å; I204-R207 PolarHBondContact O-N 3.5Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.09Å; I204-L220 HydrophobicContact CD1-CD1 3.97Å; I204-L220 HydrophobicContact CD1-CD2 4.12Å; I204-L220 HydrophobicContact CG2-CD2 4.45Å
205E92.5Very high88.6Confident67 Ų6759.6 Ų59.631%0.31332%0.324SS..Hα-helixtrans-57.5-47.6176.8-71.9169.5178.900111.1L38 R201 R207 I208 Q209L38-E205 HydrophobicContact CD1-CG 3.57Å; R201-E205 IonicContact CZ-OE1 2.76Å; R201-E205 IonicContact NE-OE1 2.9Å; R201-E205 IonicContact NH2-OE1 3.73Å; R201-E205 PolarHBondContact NH2-OE1 3.49Å; R201-E205 WeakPolarHBondContact O-CB 3.32Å; R201-E205 WeakPolarHBondContact O-CG 3.35Å; R201-E205 PolarHBondContact O-N 2.74Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-I208 PolarHBondContact O-N 2.9Å; E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.37Å; E205-Q209 PolarHBondContact O-N 2.87Å
206K91.1Very high88.1Confident135 Ų13563.1 Ų63.159%0.58734%0.342SS*.Hα-helixtrans-60.5-34.8175.5-175.5177.3-178.5-177.70112P202 I204 K210P202-K206 WeakPolarHBondContact O-CB 3.44Å; P202-K206 PolarHBondContact O-N 3.35Å; I204-K206 PolarHBondContact O-N 3.46Å; K206-K210 PolarHBondContact O-N 3.44Å
207R89.3Confident87.5Confident12 Ų1267.9 Ų67.95%0.04536%0.36CS..Hα-helixtrans-72.1-42.2178.3-159.2160.2-153.3174-1.3112F54 E62 Y168 E177 V203 I204 E205 Q209 K210 Y211F54-R207 HydrophobicContact CE1-CG 4.29Å; E62-R207 IonicContact OE1-CZ 2.73Å; E62-R207 IonicContact OE1-NE 3.37Å; E62-R207 PolarHBondContact OE1-NE 3.02Å; E62-R207 VanDerWaalsContact OE1-NE 3.15Å; E62-R207 IonicContact OE1-NH2 3.65Å; E62-R207 IonicContact OE2-CZ 3.38Å; E62-R207 IonicContact OE2-NE 2.73Å; E62-R207 PolarHBondContact OE2-NE 2.9Å; E62-R207 IonicContact OE2-NH2 2.94Å; E62-R207 PolarHBondContact OE2-NH2 3.05Å; Y168-R207 PolarHBondContact OH-NH1 3.37Å; E177-R207 VanDerWaalsContact CD-NH1 3.27Å; E177-R207 IonicContact OE1-CZ 2.81Å; E177-R207 IonicContact OE1-NH1 3.25Å; E177-R207 PolarHBondContact OE1-NH1 3.06Å; E177-R207 IonicContact OE1-NH2 2.68Å; E177-R207 IonicContact OE2-NH1 3.61Å; V203-R207 PolarHBondContact O-N 3.36Å; I204-R207 WeakPolarHBondContact O-CB 3.39Å; I204-R207 PolarHBondContact O-N 3.5Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 3.34Å; R207-K210 WeakPolarHBondContact O-CB 3.34Å; R207-K210 PolarHBondContact O-N 2.95Å; R207-Y211 VanDerWaalsContact O-CD2 3.28Å; R207-Y211 WeakPolarHBondContact O-CD2 3.33Å; R207-Y211 WeakPolarHBondContact O-CE2 3.33Å
208I87.6Confident87.2Confident43 Ų4371.4 Ų71.422%0.22138%0.375CS..Hα-helixtrans-60.2-41.5173.9-67.1168.3000110.4L38 F54 I204 E205 K210 Y211 F218L38-I208 HydrophobicContact CD1-CD1 3.83Å; F54-I208 HydrophobicContact CE2-CD1 4.46Å; F54-I208 HydrophobicContact CE2-CG1 4.31Å; F54-I208 HydrophobicContact CZ-CD1 4.43Å; F54-I208 HydrophobicContact CZ-CG1 3.81Å; I204-I208 HydrophobicContact CG2-CD1 3.87Å; I204-I208 HydrophobicContact CG2-CG1 4.38Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.09Å; E205-I208 PolarHBondContact O-N 2.9Å; I208-K210 PolarHBondContact O-N 3.41Å; I208-K210 VanDerWaalsContact O-N 3.16Å; I208-Y211 PolarHBondContact O-N 3.46Å; I208-Y211 VanDerWaalsContact O-N 3.11Å; I208-F218 HydrophobicContact CD1-CD2 4.32Å; I208-F218 HydrophobicContact CD1-CE1 4.44Å; I208-F218 HydrophobicContact CD1-CE2 3.8Å; I208-F218 HydrophobicContact CD1-CZ 3.87Å; I208-F218 HydrophobicContact CG1-CE1 4.37Å; I208-F218 HydrophobicContact CG1-CE2 4.37Å; I208-F218 HydrophobicContact CG1-CZ 4.28Å; I208-F218 HydrophobicContact CG2-CE1 3.93Å; I208-F218 HydrophobicContact CG2-CZ 4.19Å
209Q87.2Confident87.1Confident154 Ų15468.9 Ų68.972%0.7236%0.356SS*.THydrogen-bonded Turntrans-62.6-19177.9-75.1174.32.200114.9E205 R207 Y211E205-Q209 VanDerWaalsContact O-CG 3.31Å; E205-Q209 WeakPolarHBondContact O-CG 3.37Å; E205-Q209 PolarHBondContact O-N 2.87Å; R207-Q209 VanDerWaalsContact C-N 3.29Å; R207-Q209 PolarHBondContact O-N 3.34Å; Q209-Y211 PolarHBondContact O-N 3.08Å
210K84.7Confident87Confident94 Ų9467.8 Ų67.841%0.40935%0.346SS..THydrogen-bonded Turntrans-72.4-21.6175.9-69.1-178.3-175.8178.60112.7E62 K206 R207 I208E62-K210 HydrophobicContact CG-CD 4.35Å; E62-K210 VanDerWaalsContact OE1-CD 3.29Å; E62-K210 WeakPolarHBondContact OE1-CD 3.44Å; E62-K210 IonicContact OE1-NZ 3.18Å; E62-K210 PolarHBondContact OE1-NZ 3.12Å; K206-K210 PolarHBondContact O-N 3.44Å; R207-K210 WeakPolarHBondContact O-CB 3.34Å; R207-K210 PolarHBondContact O-N 2.95Å; I208-K210 PolarHBondContact O-N 3.41Å; I208-K210 VanDerWaalsContact O-N 3.16Å
211Y80.7Confident87Confident19 Ų1967.9 Ų67.98%0.07535%0.346CS..SBendtrans-83.6150.3177-62.8-81.1000110.2F56 K57 Q59 R207 I208 Q209 E215F56-Y211 HydrophobicContact CB-CE2 4.34Å; F56-Y211 WeakPolarHBondContact CD2-OH 3.49Å; F56-Y211 WeakPolarHBondContact CG-OH 3.49Å; K57-Y211 HydrophobicContact CB-CE1 4.43Å; K57-Y211 VanDerWaalsContact O-CE1 3.25Å; K57-Y211 WeakPolarHBondContact O-CE1 3.45Å; K57-Y211 PolarHBondContact O-OH 2.64Å; Q59-Y211 HydrophobicContact CG-CE1 4.22Å; R207-Y211 VanDerWaalsContact O-CD2 3.28Å; R207-Y211 WeakPolarHBondContact O-CD2 3.33Å; R207-Y211 WeakPolarHBondContact O-CE2 3.33Å; I208-Y211 PolarHBondContact O-N 3.46Å; I208-Y211 VanDerWaalsContact O-N 3.11Å; Q209-Y211 PolarHBondContact O-N 3.08Å; Y211-E215 HydrophobicContact CD1-CG 4.02Å; Y211-E215 HydrophobicContact CG-CG 4.31Å
212S72.5Confident87.2Confident96 Ų9665.7 Ų65.767%0.67134%0.338SS*.  trans-51.6142.8172.9-450000109.7G214 E215S212-G214 PolarHBondContact O-N 2.84Å; S212-E215 PolarHBondContact O-N 2.68Å
213E71.3Confident87.4Confident207 Ų20762.4 Ų62.497%0.96732%0.317SS*.THydrogen-bonded Turntrans-51.5-21.9-179.2-85-172.5152.200114.5
214G73.1Confident87.5Confident68 Ų6861.1 Ų61.170%0.70131%0.309SS*.THydrogen-bonded Turntrans-90-6.5175.900000116.3S212 I216S212-G214 PolarHBondContact O-N 2.84Å; G214-I216 PolarHBondContact O-N 2.64Å
215E81.1Confident87.7Confident38 Ų3861.1 Ų61.118%0.17831%0.309CS..  trans-88.790.5-179-179.959.7-86.600110.2Y211 S212 R217Y211-E215 HydrophobicContact CD1-CG 4.02Å; Y211-E215 HydrophobicContact CG-CG 4.31Å; S212-E215 PolarHBondContact O-N 2.68Å; E215-R217 WeakPolarHBondContact OE1-CB 3.35Å; E215-R217 VanDerWaalsContact OE1-CG 3.28Å; E215-R217 WeakPolarHBondContact OE1-CG 3.38Å; E215-R217 IonicContact OE1-CZ 3.95Å; E215-R217 PolarHBondContact OE1-N 3.18Å; E215-R217 VanDerWaalsContact OE1-N 3.13Å; E215-R217 IonicContact OE1-NE 3.34Å; E215-R217 PolarHBondContact OE1-NE 3.48Å; E215-R217 IonicContact OE1-NH2 2.63Å; E215-R217 IonicContact OE2-CZ 2.77Å; E215-R217 IonicContact OE2-NE 3Å; E215-R217 PolarHBondContact OE2-NE 2.89Å; E215-R217 IonicContact OE2-NH2 3.23Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å
216I79.8Confident88Confident134 Ų13459.5 Ų59.569%0.68730%0.302SS*.  trans-96.75.9-178.360.8171.4000113G214 F218G214-I216 PolarHBondContact O-N 2.64Å; I216-F218 PolarHBondContact O-N 3.1Å
217R85.3Confident88.3Confident107 Ų10753.6 Ų53.640%0.40428%0.276SS..  trans-8667-175.8-57.3175.1-66.2168.63110.8D161 F163 E215D161-R217 IonicContact OD1-NH2 2.64Å; D161-R217 IonicContact OD2-CZ 2.56Å; D161-R217 VanDerWaalsContact OD2-CZ 3.23Å; D161-R217 IonicContact OD2-NH1 3.74Å; D161-R217 PolarHBondContact OD2-NH1 3.45Å; D161-R217 IonicContact OD2-NH2 3.59Å; D161-R217 PolarHBondContact OD2-NH2 3.45Å; F163-R217 HydrophobicContact CE1-CB 3.74Å; F163-R217 WeakPolarHBondContact CE1-O 3.47Å; F163-R217 HydrophobicContact CZ-CB 3.97Å; E215-R217 WeakPolarHBondContact OE1-CB 3.35Å; E215-R217 VanDerWaalsContact OE1-CG 3.28Å; E215-R217 WeakPolarHBondContact OE1-CG 3.38Å; E215-R217 IonicContact OE1-CZ 3.95Å; E215-R217 PolarHBondContact OE1-N 3.18Å; E215-R217 VanDerWaalsContact OE1-N 3.13Å; E215-R217 IonicContact OE1-NE 3.34Å; E215-R217 PolarHBondContact OE1-NE 3.48Å; E215-R217 IonicContact OE1-NH2 2.63Å; E215-R217 IonicContact OE2-CZ 2.77Å; E215-R217 IonicContact OE2-NE 3Å; E215-R217 PolarHBondContact OE2-NE 2.89Å; E215-R217 IonicContact OE2-NH2 3.23Å; E215-R217 PolarHBondContact OE2-NH2 3.43Å
218F88.8Confident88.6Confident80 Ų8056 Ų5635%0.35129%0.287SS..  trans-126.2159.5165.961.1-93.7000109.5F54 L55 I208 I216F54-F218 HydrophobicContact CE2-CB 3.93Å; F54-F218 AromaticContact CE2-CD2 3.75Å; F54-F218 HydrophobicContact CE2-CD2 3.75Å; F54-F218 HydrophobicContact CE2-CG 4.1Å; F54-F218 HydrophobicContact CZ-CB 3.94Å; F54-F218 HydrophobicContact CZ-CD2 4.28Å; F54-F218 HydrophobicContact CZ-CG 4.23Å; L55-F218 CarbonylContact O-C 3.58Å; L55-F218 WeakPolarHBondContact O-CA 3.3Å; L55-F218 VanDerWaalsContact O-CB 3.25Å; L55-F218 WeakPolarHBondContact O-CB 3.45Å; I208-F218 HydrophobicContact CD1-CD2 4.32Å; I208-F218 HydrophobicContact CD1-CE1 4.44Å; I208-F218 HydrophobicContact CD1-CE2 3.8Å; I208-F218 HydrophobicContact CD1-CZ 3.87Å; I208-F218 HydrophobicContact CG1-CE1 4.37Å; I208-F218 HydrophobicContact CG1-CE2 4.37Å; I208-F218 HydrophobicContact CG1-CZ 4.28Å; I208-F218 HydrophobicContact CG2-CE1 3.93Å; I208-F218 HydrophobicContact CG2-CZ 4.19Å; I216-F218 PolarHBondContact O-N 3.1Å
219N91.8Very high89.1Confident22 Ų2256 Ų5612%0.11829%0.287CS..EExtended strand (participates in β ladder)trans-134136.3173.8-168.4-106.1000108.6S13 E34 F54 L55 M221S13-N219 PolarHBondContact OG-OD1 3.33Å; E34-N219 PolarHBondContact OE1-ND2 3.13Å; F54-N219 WeakPolarHBondContact CA-O 3.19Å; F54-N219 WeakPolarHBondContact CD2-O 3.38Å; L55-N219 HydrophobicContact CB-CB 3.9Å; L55-N219 HydrophobicContact CD2-CB 4.21Å; L55-N219 PolarHBondContact N-O 3.25Å; L55-N219 PolarHBondContact O-N 3.45Å; N219-M221 WeakPolarHBondContact OD1-CE 3.41Å; N219-M221 WeakPolarHBondContact OD1-CG 3.42Å
220L95.4Very high89.5Confident6 Ų649.5 Ų49.53%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-122.2125.4174.5-178.863.7000108.4I35 L38 F43 L52 F54 I204I35-L220 HydrophobicContact CB-CB 4.15Å; I35-L220 HydrophobicContact CB-CD2 3.87Å; I35-L220 HydrophobicContact CB-CG 3.86Å; I35-L220 HydrophobicContact CG1-CD2 4.35Å; I35-L220 HydrophobicContact CG1-CG 4.12Å; I35-L220 HydrophobicContact CG2-CD2 3.82Å; I35-L220 HydrophobicContact CG2-CG 4.39Å; I35-L220 PolarHBondContact N-O 3.35Å; L38-L220 HydrophobicContact CD2-CD2 3.37Å; F43-L220 HydrophobicContact CZ-CD2 4.34Å; L52-L220 HydrophobicContact CB-CD1 4.09Å; L52-L220 HydrophobicContact CD1-CD1 4.37Å; F54-L220 HydrophobicContact CB-CD1 4.08Å; F54-L220 HydrophobicContact CD2-CB 4.08Å; F54-L220 HydrophobicContact CD2-CD1 3.89Å; F54-L220 HydrophobicContact CG-CD1 4.43Å; I204-L220 HydrophobicContact CD1-CD1 3.97Å; I204-L220 HydrophobicContact CD1-CD2 4.12Å; I204-L220 HydrophobicContact CG2-CD2 4.45Å
221M97.1Very high90.1Very high1 Ų146.1 Ų46.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-122.8150.5175.6-75.1179.3-71.300110.2S13 P15 F18 V32 E33 L52 I53 F165 N219S13-M221 WeakPolarHBondContact OG-CE 3.42Å; P15-M221 HydrophobicContact CB-SD 4.45Å; F18-M221 HydrophobicContact CD2-CE 3.54Å; F18-M221 HydrophobicContact CD2-SD 3.9Å; F18-M221 HydrophobicContact CE1-CE 4.27Å; F18-M221 HydrophobicContact CE2-CE 3.27Å; F18-M221 HydrophobicContact CE2-SD 4.25Å; F18-M221 HydrophobicContact CG-CE 4.19Å; F18-M221 HydrophobicContact CG-SD 4.17Å; F18-M221 HydrophobicContact CZ-CE 3.67Å; V32-M221 HydrophobicContact CG1-CB 3.7Å; V32-M221 HydrophobicContact CG1-CG 4.03Å; V32-M221 HydrophobicContact CG1-SD 3.84Å; E33-M221 CarbonylContact O-C 3.57Å; E33-M221 VanDerWaalsContact O-CA 3.22Å; E33-M221 WeakPolarHBondContact O-CA 3.5Å; L52-M221 CarbonylContact C-O 3.54Å; L52-M221 WeakPolarHBondContact CA-O 3.33Å; I53-M221 HydrophobicContact CB-CB 4.5Å; I53-M221 PolarHBondContact N-O 3.04Å; I53-M221 PolarHBondContact O-N 3.01Å; F165-M221 HydrophobicContact CE1-CE 4.21Å; N219-M221 WeakPolarHBondContact OD1-CE 3.41Å; N219-M221 WeakPolarHBondContact OD1-CG 3.42Å
222A98.2Very high90.9Very high0 Ų049.3 Ų49.30%026%0.257CS..EExtended strand (participates in β ladder)trans-116.7128.9174.900000109.9V32 E33 I35 V49 L52 V224V32-A222 VanDerWaalsContact CA-O 3.32Å; V32-A222 WeakPolarHBondContact CA-O 3.37Å; E33-A222 PolarHBondContact N-O 3.33Å; E33-A222 PolarHBondContact O-N 3.06Å; I35-A222 HydrophobicContact CD1-CB 3.79Å; I35-A222 HydrophobicContact CG1-CB 3.99Å; V49-A222 HydrophobicContact CG1-CB 4.04Å; L52-A222 HydrophobicContact CD2-CB 3.57Å; A222-V224 HydrophobicContact CB-CG1 3.81Å
223I98.6Very high92Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-84.2116.8164-66173.3000106.7I22 A30 Q31 V32 H50 G51 I53 I93 V96 L97I22-I223 HydrophobicContact CD1-CD1 4.11Å; I22-I223 HydrophobicContact CD1-CG1 4.17Å; I22-I223 HydrophobicContact CD1-CG2 4.44Å; A30-I223 HydrophobicContact CB-CG2 4.17Å; Q31-I223 WeakPolarHBondContact O-CA 3.42Å; V32-I223 HydrophobicContact CG2-CG1 3.98Å; H50-I223 HydrophobicContact CB-CG2 4.3Å; H50-I223 PolarHBondContact N-O 2.88Å; G51-I223 PolarHBondContact N-O 3.38Å; G51-I223 PolarHBondContact O-N 3.21Å; I53-I223 HydrophobicContact CD1-CD1 3.79Å; I53-I223 HydrophobicContact CD1-CG1 4.29Å; I53-I223 HydrophobicContact CG1-CD1 4.46Å; I93-I223 HydrophobicContact CG2-CD1 4.38Å; V96-I223 HydrophobicContact CB-CD1 3.68Å; V96-I223 HydrophobicContact CG1-CB 4.12Å; V96-I223 HydrophobicContact CG1-CD1 3.69Å; V96-I223 HydrophobicContact CG1-CG1 4.42Å; V96-I223 HydrophobicContact CG1-CG2 4.38Å; V96-I223 HydrophobicContact CG2-CD1 4.07Å; L97-I223 HydrophobicContact CD2-CG2 4.18Å
224V98.3Very high93.2Very high0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-127.1163.5-174.2-58.20000109.8A30 Q31 E33 L46 V49 H50 A222A30-V224 CarbonylContact C-O 3.26Å; A30-V224 WeakPolarHBondContact CA-O 3.49Å; Q31-V224 HydrophobicContact CG-CG2 3.74Å; Q31-V224 PolarHBondContact N-O 3.48Å; Q31-V224 PolarHBondContact O-N 2.89Å; E33-V224 HydrophobicContact CG-CG2 3.87Å; L46-V224 HydrophobicContact CB-CG1 4.11Å; V49-V224 HydrophobicContact CB-CG1 4.42Å; V49-V224 HydrophobicContact CG1-CG1 4.21Å; V49-V224 HydrophobicContact CG2-CG1 4.1Å; H50-V224 VanDerWaalsContact CD2-C 3.5Å; A222-V224 HydrophobicContact CB-CG1 3.81Å
225S98.2Very high94.3Very high0 Ų041.8 Ų41.80%019%0.192CC..EExtended strand (participates in β ladder)trans-60.8148.6170.7-69.40000111.5G29 P48 H50 D104 R227G29-S225 CarbonylContact O-C 3.59Å; G29-S225 WeakPolarHBondContact O-CA 3.37Å; P48-S225 VanDerWaalsContact CG-OG 3.27Å; P48-S225 WeakPolarHBondContact CG-OG 3.23Å; P48-S225 PolarHBondContact O-N 3.28Å; H50-S225 PolarHBondContact CE1-OG 3.11Å; H50-S225 PolarHBondContact NE2-N 2.98Å; H50-S225 VanDerWaalsContact NE2-N 3.18Å; H50-S225 PolarHBondContact NE2-OG 3.45Å; D104-S225 WeakPolarHBondContact CB-OG 3.47Å; D104-S225 VanDerWaalsContact CG-OG 3.31Å; D104-S225 VanDerWaalsContact OD2-CB 3.3Å; D104-S225 WeakPolarHBondContact OD2-CB 3.48Å; D104-S225 PolarHBondContact OD2-OG 2.87Å; S225-R227 WeakPolarHBondContact O-CD 3.24Å; S225-R227 PolarHBondContact O-N 3.01Å; S225-R227 VanDerWaalsContact O-N 3.08Å
226D97.9Very high95.1Very high34 Ų3442.7 Ų42.718%0.18221%0.206CC..  trans-53.6116.6176.1-176.9-50.9000109.9G29 K228 M229 I230G29-D226 PolarHBondContact O-N 3.05Å; D226-K228 PolarHBondContact O-N 2.86Å; D226-K228 WeakPolarHBondContact OD1-CB 3.42Å; D226-K228 PolarHBondContact OD1-N 2.85Å; D226-M229 HydrophobicContact CB-CB 3.93Å; D226-M229 HydrophobicContact CB-CE 4.38Å; D226-M229 WeakPolarHBondContact O-CB 3.23Å; D226-M229 PolarHBondContact O-N 3.4Å; D226-M229 PolarHBondContact OD1-N 3.21Å; D226-I230 WeakPolarHBondContact O-CG1 3.48Å; D226-I230 PolarHBondContact O-N 3.04Å
227R97.4Very high95.9Very high11 Ų1139.9 Ų39.94%0.04219%0.19CC..Hα-helixtrans-69.1-37.9-170.8-64.4-52.6-56-175.5-6.8111.4Q31 K45 L46 K47 S225 M229 I230 Y231 E274Q31-R227 HydrophobicContact CG-CG 4.34Å; Q31-R227 VanDerWaalsContact NE2-CG 3.33Å; K45-R227 PolarHBondContact O-NH1 2.89Å; K45-R227 PolarHBondContact O-NH2 3.12Å; L46-R227 PolarHBondContact O-NH1 3.22Å; K47-R227 PolarHBondContact O-NH1 3.25Å; S225-R227 WeakPolarHBondContact O-CD 3.24Å; S225-R227 PolarHBondContact O-N 3.01Å; S225-R227 VanDerWaalsContact O-N 3.08Å; R227-M229 VanDerWaalsContact C-N 3.33Å; R227-I230 PolarHBondContact O-N 2.75Å; R227-Y231 HydrophobicContact CB-CE2 3.9Å; R227-Y231 PolarHBondContact NE-OH 3.07Å; R227-Y231 PolarHBondContact NH2-OH 2.78Å; R227-Y231 VanDerWaalsContact NH2-OH 3.14Å; R227-Y231 WeakPolarHBondContact O-CD2 3.48Å; R227-Y231 WeakPolarHBondContact O-CE2 3.45Å; R227-Y231 PolarHBondContact O-N 3.42Å; R227-E274 HydrophobicContact CB-CG 3.94Å
228K96.6Very high96.3Very high63 Ų6336.1 Ų36.127%0.27418%0.178SC..Hα-helixtrans-62.1-45.2175.8174.7175.4174.1-68.10110D226 I230 Y231 E232 I271 E274 V275D226-K228 PolarHBondContact O-N 2.86Å; D226-K228 WeakPolarHBondContact OD1-CB 3.42Å; D226-K228 PolarHBondContact OD1-N 2.85Å; K228-I230 VanDerWaalsContact C-N 3.35Å; K228-I230 PolarHBondContact O-N 3.16Å; K228-Y231 PolarHBondContact O-N 2.97Å; K228-E232 VanDerWaalsContact CE-OE1 3.26Å; K228-E232 WeakPolarHBondContact CE-OE1 3.41Å; K228-E232 HydrophobicContact CG-CG 4.47Å; K228-E232 IonicContact NZ-OE1 3.67Å; K228-E232 PolarHBondContact NZ-OE1 2.9Å; K228-E232 IonicContact NZ-OE2 3.64Å; K228-E232 PolarHBondContact NZ-OE2 3.24Å; K228-E232 WeakPolarHBondContact O-CB 3.42Å; K228-E232 VanDerWaalsContact O-CG 3.3Å; K228-E232 WeakPolarHBondContact O-CG 3.2Å; K228-E232 PolarHBondContact O-N 2.84Å; K228-I271 HydrophobicContact CG-CG2 4.23Å; K228-E274 HydrophobicContact CB-CB 4.42Å; K228-V275 HydrophobicContact CD-CG2 4.06Å
229M96.6Very high96.5Very high43 Ų4337.5 Ų37.521%0.21219%0.185CC..Hα-helixtrans-58.6-44.7175-179.8-175.170.400111.9D104 D226 R227 Y231 E232 Q233D104-M229 HydrophobicContact CB-CE 3.9Å; D226-M229 HydrophobicContact CB-CB 3.93Å; D226-M229 HydrophobicContact CB-CE 4.38Å; D226-M229 WeakPolarHBondContact O-CB 3.23Å; D226-M229 PolarHBondContact O-N 3.4Å; D226-M229 PolarHBondContact OD1-N 3.21Å; R227-M229 VanDerWaalsContact C-N 3.33Å; M229-Y231 PolarHBondContact O-N 3.03Å; M229-E232 PolarHBondContact O-N 2.87Å; M229-Q233 WeakPolarHBondContact O-CG 3.43Å; M229-Q233 PolarHBondContact O-N 3.14Å
230I96.9Very high96.6Very high17 Ų1742.4 Ų42.49%0.08720%0.202CC..Hα-helixtrans-60.8-43.6177.3-67.3-64.9000111.5D226 R227 K228 Q233 K234D226-I230 WeakPolarHBondContact O-CG1 3.48Å; D226-I230 PolarHBondContact O-N 3.04Å; R227-I230 PolarHBondContact O-N 2.75Å; K228-I230 VanDerWaalsContact C-N 3.35Å; K228-I230 PolarHBondContact O-N 3.16Å; I230-Q233 PolarHBondContact O-N 3.47Å; I230-K234 HydrophobicContact CG2-CD 4.32Å; I230-K234 WeakPolarHBondContact O-CG 3.48Å; I230-K234 PolarHBondContact O-N 3.07Å
231Y97.4Very high96.3Very high22 Ų2245.5 Ų45.59%0.08622%0.216CC..Hα-helixtrans-68.7-38.4178.8-57.2-37.6000112.1R227 K228 M229 K234 I235 L270 I271 E274R227-Y231 HydrophobicContact CB-CE2 3.9Å; R227-Y231 PolarHBondContact NE-OH 3.07Å; R227-Y231 PolarHBondContact NH2-OH 2.78Å; R227-Y231 VanDerWaalsContact NH2-OH 3.14Å; R227-Y231 WeakPolarHBondContact O-CD2 3.48Å; R227-Y231 WeakPolarHBondContact O-CE2 3.45Å; R227-Y231 PolarHBondContact O-N 3.42Å; K228-Y231 PolarHBondContact O-N 2.97Å; M229-Y231 PolarHBondContact O-N 3.03Å; Y231-K234 PolarHBondContact O-N 2.77Å; Y231-I235 VanDerWaalsContact O-CG1 3.31Å; Y231-I235 WeakPolarHBondContact O-CG1 3.16Å; Y231-I235 PolarHBondContact O-N 2.75Å; Y231-L270 HydrophobicContact CD1-CB 4.49Å; Y231-L270 HydrophobicContact CD1-CD1 4.26Å; Y231-L270 HydrophobicContact CD2-CB 3.71Å; Y231-L270 HydrophobicContact CE1-CB 4.42Å; Y231-L270 HydrophobicContact CE1-CD1 3.89Å; Y231-L270 HydrophobicContact CE2-CB 3.61Å; Y231-L270 HydrophobicContact CE2-CD1 4.48Å; Y231-L270 HydrophobicContact CG-CB 4.19Å; Y231-I271 HydrophobicContact CD2-CG1 4.16Å; Y231-I271 HydrophobicContact CG-CG1 4.33Å; Y231-E274 HydrophobicContact CD2-CG 4.41Å; Y231-E274 HydrophobicContact CE2-CG 3.9Å
232E97.3Very high95.8Very high86 Ų8647.6 Ų47.640%0.40223%0.227SC..Hα-helixtrans-61.8-43.2175-74171.8163.200111.6K228 M229 I235 A236 I271K228-E232 VanDerWaalsContact CE-OE1 3.26Å; K228-E232 WeakPolarHBondContact CE-OE1 3.41Å; K228-E232 HydrophobicContact CG-CG 4.47Å; K228-E232 IonicContact NZ-OE1 3.67Å; K228-E232 PolarHBondContact NZ-OE1 2.9Å; K228-E232 IonicContact NZ-OE2 3.64Å; K228-E232 PolarHBondContact NZ-OE2 3.24Å; K228-E232 WeakPolarHBondContact O-CB 3.42Å; K228-E232 VanDerWaalsContact O-CG 3.3Å; K228-E232 WeakPolarHBondContact O-CG 3.2Å; K228-E232 PolarHBondContact O-N 2.84Å; M229-E232 PolarHBondContact O-N 2.87Å; E232-I235 PolarHBondContact O-N 3.05Å; E232-A236 PolarHBondContact O-N 2.89Å; E232-I271 HydrophobicContact CG-CD1 3.7Å
233Q95.8Very high95.2Very high101 Ų10151.7 Ų51.747%0.47226%0.261SS..Hα-helixtrans-63.2-43.9174.7-72.6174.8-5.700112.1M229 I230 I235 A236 E237M229-Q233 WeakPolarHBondContact O-CG 3.43Å; M229-Q233 PolarHBondContact O-N 3.14Å; I230-Q233 PolarHBondContact O-N 3.47Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; Q233-I235 PolarHBondContact O-N 2.86Å; Q233-A236 PolarHBondContact O-N 2.85Å; Q233-E237 PolarHBondContact O-N 2.87Å
234K95.8Very high94.6Very high101 Ų10157.6 Ų57.644%0.43929%0.289SS..Hα-helixtrans-60.9-43.1176.1-76.2178.1-179.3-176.80112I230 Y231 E237 L238I230-K234 HydrophobicContact CG2-CD 4.32Å; I230-K234 WeakPolarHBondContact O-CG 3.48Å; I230-K234 PolarHBondContact O-N 3.07Å; Y231-K234 PolarHBondContact O-N 2.77Å; K234-E237 PolarHBondContact O-N 3.45Å; K234-L238 WeakPolarHBondContact O-CB 3.44Å; K234-L238 VanDerWaalsContact O-CG 3.26Å; K234-L238 WeakPolarHBondContact O-CG 3.23Å; K234-L238 PolarHBondContact O-N 3.4Å
235I96.9Very high93.4Very high12 Ų1261.2 Ų61.26%0.06231%0.306CS..Hα-helixtrans-62.2-45.3176.6-70.7171.4000110.5Y231 E232 Q233 E237 L238 Q239 V264 N267 Q268 I271Y231-I235 VanDerWaalsContact O-CG1 3.31Å; Y231-I235 WeakPolarHBondContact O-CG1 3.16Å; Y231-I235 PolarHBondContact O-N 2.75Å; E232-I235 PolarHBondContact O-N 3.05Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; Q233-I235 PolarHBondContact O-N 2.86Å; I235-E237 VanDerWaalsContact C-N 3.31Å; I235-E237 PolarHBondContact O-N 2.95Å; I235-L238 PolarHBondContact O-N 2.9Å; I235-Q239 HydrophobicContact CG2-CG 4.18Å; I235-Q239 WeakPolarHBondContact O-CB 3.21Å; I235-Q239 VanDerWaalsContact O-CG 3.27Å; I235-Q239 WeakPolarHBondContact O-CG 3.44Å; I235-Q239 PolarHBondContact O-N 2.91Å; I235-V264 HydrophobicContact CG2-CG1 4.24Å; I235-N267 HydrophobicContact CD1-CB 3.78Å; I235-N267 HydrophobicContact CG1-CB 3.53Å; I235-Q268 HydrophobicContact CD1-CB 4.39Å; I235-I271 HydrophobicContact CD1-CD1 3.58Å
236A96.8Very high91.7Very high57 Ų5769.1 Ų69.147%0.47134%0.343SS..Hα-helixtrans-60-41.5179.100000112.1E232 Q233 Q239 R240E232-A236 PolarHBondContact O-N 2.89Å; Q233-A236 PolarHBondContact O-N 2.85Å; A236-Q239 PolarHBondContact O-N 2.8Å; A236-R240 PolarHBondContact O-N 2.86Å
237E95.9Very high90Very high75 Ų7574 Ų7435%0.3538%0.376SS..Hα-helixtrans-67.9-43.6176.7-177.857.9-16400112.3Q233 K234 I235 Q239 R240 Q241Q233-E237 PolarHBondContact O-N 2.87Å; K234-E237 PolarHBondContact O-N 3.45Å; I235-E237 VanDerWaalsContact C-N 3.31Å; I235-E237 PolarHBondContact O-N 2.95Å; E237-Q239 VanDerWaalsContact C-N 3.3Å; E237-Q239 PolarHBondContact O-N 3.3Å; E237-R240 WeakPolarHBondContact O-CB 3.35Å; E237-R240 PolarHBondContact O-N 3.33Å; E237-R240 VanDerWaalsContact O-N 3.17Å; E237-R240 IonicContact OE1-CZ 3.47Å; E237-R240 IonicContact OE1-NE 2.99Å; E237-R240 IonicContact OE1-NH2 3.13Å; E237-R240 PolarHBondContact OE1-NH2 2.77Å; E237-R240 IonicContact OE2-CZ 3.94Å; E237-R240 IonicContact OE2-NE 2.86Å; E237-R240 PolarHBondContact OE2-NE 2.71Å; E237-R240 IonicContact OE2-NH2 3.7Å; E237-R240 PolarHBondContact OE2-NH2 3.11Å; E237-R240 VanDerWaalsContact OE2-NH2 3.13Å; E237-Q241 WeakPolarHBondContact O-CG 2.84Å; E237-Q241 PolarHBondContact O-N 3.23Å
238L95Very high88.2Confident28 Ų2879.7 Ų79.715%0.14741%0.405CS..Hα-helixtrans-62.1-38.6175.9-71.7166.7000111.8K234 I235 R240 Q241 L242 I260 E263 V264K234-L238 WeakPolarHBondContact O-CB 3.44Å; K234-L238 VanDerWaalsContact O-CG 3.26Å; K234-L238 WeakPolarHBondContact O-CG 3.23Å; K234-L238 PolarHBondContact O-N 3.4Å; I235-L238 PolarHBondContact O-N 2.9Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-Q241 PolarHBondContact O-N 3.29Å; L238-L242 PolarHBondContact O-N 3.31Å; L238-L242 VanDerWaalsContact O-N 3.1Å; L238-I260 HydrophobicContact CB-CG2 3.87Å; L238-I260 HydrophobicContact CD2-CG2 3.92Å; L238-I260 HydrophobicContact CG-CG2 4.45Å; L238-E263 HydrophobicContact CD1-CB 4.06Å; L238-E263 HydrophobicContact CD1-CG 3.9Å; L238-V264 HydrophobicContact CB-CG2 3.65Å; L238-V264 HydrophobicContact CD1-CG2 4Å; L238-V264 HydrophobicContact CG-CG2 4.46Å
239Q93Very high86.8Confident108 Ų10884.1 Ų84.151%0.50543%0.431SS..Hα-helixtrans-67.7-34.3175.2-75.3176.7-15.700112.4I235 A236 E237 L242 A243I235-Q239 HydrophobicContact CG2-CG 4.18Å; I235-Q239 WeakPolarHBondContact O-CB 3.21Å; I235-Q239 VanDerWaalsContact O-CG 3.27Å; I235-Q239 WeakPolarHBondContact O-CG 3.44Å; I235-Q239 PolarHBondContact O-N 2.91Å; A236-Q239 PolarHBondContact O-N 2.8Å; E237-Q239 VanDerWaalsContact C-N 3.3Å; E237-Q239 PolarHBondContact O-N 3.3Å; Q239-L242 PolarHBondContact O-N 2.81Å; Q239-A243 PolarHBondContact O-N 2.98Å
240R93.4Very high85.8Confident126 Ų12685 Ų8548%0.47544%0.439SS..Hα-helixtrans-64.9-44.6173.4-17317473.1116.30.7111.4A236 E237 L238 L242 A243 E244A236-R240 PolarHBondContact O-N 2.86Å; E237-R240 WeakPolarHBondContact O-CB 3.35Å; E237-R240 PolarHBondContact O-N 3.33Å; E237-R240 VanDerWaalsContact O-N 3.17Å; E237-R240 IonicContact OE1-CZ 3.47Å; E237-R240 IonicContact OE1-NE 2.99Å; E237-R240 IonicContact OE1-NH2 3.13Å; E237-R240 PolarHBondContact OE1-NH2 2.77Å; E237-R240 IonicContact OE2-CZ 3.94Å; E237-R240 IonicContact OE2-NE 2.86Å; E237-R240 PolarHBondContact OE2-NE 2.71Å; E237-R240 IonicContact OE2-NH2 3.7Å; E237-R240 PolarHBondContact OE2-NH2 3.11Å; E237-R240 VanDerWaalsContact OE2-NH2 3.13Å; L238-R240 VanDerWaalsContact C-N 3.35Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.35Å; R240-A243 PolarHBondContact O-N 3.02Å; R240-E244 HydrophobicContact CG-CG 4.5Å; R240-E244 WeakPolarHBondContact CG-OE1 3.08Å; R240-E244 IonicContact CZ-OE1 3.83Å; R240-E244 IonicContact NH1-OE1 3.4Å; R240-E244 PolarHBondContact NH1-OE1 3.25Å; R240-E244 PolarHBondContact O-N 3.14Å
241Q89.3Confident84.8Confident71 Ų7191.3 Ų91.333%0.33247%0.473SS..Hα-helixtrans-59-43.4175.9-69.4175.39.200111.8E237 L238 A243 E244 E245 I260E237-Q241 WeakPolarHBondContact O-CG 2.84Å; E237-Q241 PolarHBondContact O-N 3.23Å; L238-Q241 PolarHBondContact O-N 3.29Å; Q241-A243 PolarHBondContact O-N 2.84Å; Q241-E244 PolarHBondContact O-N 3.2Å; Q241-E245 PolarHBondContact O-N 3.05Å; Q241-I260 HydrophobicContact CB-CD1 4.41Å
242L86.4Confident83.8Confident44 Ų4498.2 Ų98.223%0.2351%0.506CS..Hα-helixtrans-60.3-30.8174.1-85.7159.5000114L238 Q239 R240 L257 I260L238-L242 PolarHBondContact O-N 3.31Å; L238-L242 VanDerWaalsContact O-N 3.1Å; Q239-L242 PolarHBondContact O-N 2.81Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.35Å; L242-L257 HydrophobicContact CD2-CD1 4.09Å; L242-L257 HydrophobicContact CD2-CD2 4.49Å; L242-L257 HydrophobicContact CD2-CG 3.66Å; L242-I260 HydrophobicContact CD1-CB 4.3Å; L242-I260 HydrophobicContact CD1-CG2 3.49Å; L242-I260 VanDerWaalsContact CD1-CG2 3.49Å; L242-I260 HydrophobicContact CD2-CB 4.45Å; L242-I260 HydrophobicContact CD2-CG2 4.4Å; L242-I260 HydrophobicContact CG-CB 4.19Å; L242-I260 HydrophobicContact CG-CD1 4.43Å; L242-I260 HydrophobicContact CG-CG2 3.64Å
243A86.3Confident82.8Confident86 Ų8695.1 Ų95.171%0.71150%0.497SS*.Hα-helixtrans-85.3-26.5-179.100000113.1Q239 R240 Q241Q239-A243 PolarHBondContact O-N 2.98Å; R240-A243 PolarHBondContact O-N 3.02Å; Q241-A243 PolarHBondContact O-N 2.84Å
244E85.1Confident82Confident125 Ų12594.3 Ų94.358%0.58450%0.496SS*.Hα-helixtrans-82-24.4177.9-71.3176.7-175.500112.4R240 Q241 E246R240-E244 HydrophobicContact CG-CG 4.5Å; R240-E244 WeakPolarHBondContact CG-OE1 3.08Å; R240-E244 IonicContact CZ-OE1 3.83Å; R240-E244 IonicContact NH1-OE1 3.4Å; R240-E244 PolarHBondContact NH1-OE1 3.25Å; R240-E244 PolarHBondContact O-N 3.14Å; Q241-E244 PolarHBondContact O-N 3.2Å; E244-E246 PolarHBondContact O-N 2.88Å
245E72.7Confident81.5Confident76 Ų7693.1 Ų93.136%0.35550%0.501SS..SBendtrans-74.3111.9173.1-72.9-166.1154.500111.2Q241 M256Q241-E245 PolarHBondContact O-N 3.05Å; E245-M256 WeakPolarHBondContact OE1-CE 3.42Å; E245-M256 VanDerWaalsContact OE1-SD 3.34Å
246E64.3Low81Confident166 Ų16696.9 Ų96.978%0.77652%0.519SS*.  trans-60.3143.1167.1-74.9-160.8159.900109.8E244 M248E244-E246 PolarHBondContact O-N 2.88Å; E246-M248 PolarHBondContact O-N 2.78Å
247P60.6Low80.5Confident136 Ų13697.1 Ų97.188%0.88351%0.512SS*.  trans-67.283.9179.927.3-32.6000110
248M59.5Low80.2Confident131 Ų13196.5 Ų96.565%0.64552%0.516SS*.  trans-84.3110168.7-70.7-169.177.700107.6E246 T250E246-M248 PolarHBondContact O-N 2.78Å; M248-T250 HydrophobicContact CB-CG2 4.47Å; M248-T250 PolarHBondContact O-N 3.2Å
249D67.7Low80.1Confident155 Ų15598 Ų9883%0.82953%0.532SS*.  trans-72.252.5-179.1-135.7-0000111.5
250T74.8Confident80Confident62 Ų6293.4 Ų93.438%0.3851%0.511SS..SBendtrans-111.5144.8178.961.50000108.9M248 Q252 G253 N254M248-T250 HydrophobicContact CB-CG2 4.47Å; M248-T250 PolarHBondContact O-N 3.2Å; T250-Q252 PolarHBondContact O-N 2.86Å; T250-Q252 VanDerWaalsContact O-N 3.1Å; T250-G253 PolarHBondContact O-N 3.11Å; T250-G253 PolarHBondContact OG1-N 3.04Å; T250-N254 PolarHBondContact O-N 3.46Å
251D77.3Confident80Confident150 Ų15092.5 Ų92.580%0.80251%0.512SS*.Hα-helixtrans-54.6-33.2178.6-75.2-22.6000112.5S255D251-S255 WeakPolarHBondContact O-CB 3.28Å; D251-S255 PolarHBondContact O-N 2.9Å
252Q76.8Confident80.3Confident167 Ų16792.9 Ų92.978%0.7852%0.523SS*.Hα-helixtrans-67.7-46.1175.7-72.9-178.3-7.100112.4T250 N254 S255 M256T250-Q252 PolarHBondContact O-N 2.86Å; T250-Q252 VanDerWaalsContact O-N 3.1Å; Q252-N254 PolarHBondContact O-N 2.69Å; Q252-S255 PolarHBondContact O-N 2.74Å; Q252-M256 PolarHBondContact O-N 2.8Å
253G75.8Confident80.7Confident20 Ų2094.3 Ų94.321%0.20653%0.528CS..Hα-helixtrans-60.2-44.4175.800000111.9T250 S255 M256 L257T250-G253 PolarHBondContact O-N 3.11Å; T250-G253 PolarHBondContact OG1-N 3.04Å; G253-S255 PolarHBondContact O-N 3.22Å; G253-M256 PolarHBondContact O-N 3.43Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.36Å; G253-L257 PolarHBondContact O-N 3.34Å
254N79.5Confident81.2Confident84 Ų8491.4 Ų91.445%0.44950%0.502SS..Hα-helixtrans-63.2-40.2176.6-74.5-23.4000112.7T250 Q252 S258T250-N254 PolarHBondContact O-N 3.46Å; Q252-N254 PolarHBondContact O-N 2.69Å; N254-S258 WeakPolarHBondContact O-CB 3.5Å; N254-S258 PolarHBondContact O-N 2.82Å
255S85.1Confident81.7Confident77 Ų7788.4 Ų88.454%0.53850%0.498SS..Hα-helixtrans-63.9-45.4175.8-175.90000111.7D251 Q252 G253 S258 A259D251-S255 WeakPolarHBondContact O-CB 3.28Å; D251-S255 PolarHBondContact O-N 2.9Å; Q252-S255 PolarHBondContact O-N 2.74Å; G253-S255 PolarHBondContact O-N 3.22Å; S255-S258 PolarHBondContact O-N 3.1Å; S255-S258 PolarHBondContact O-OG 3.42Å; S255-A259 PolarHBondContact O-N 3.06Å; S255-A259 VanDerWaalsContact O-N 3.08Å
256M85Confident82.9Confident90 Ų9089.6 Ų89.644%0.44350%0.502SS..Hα-helixtrans-64-46.7179.3-178.7155.7171.200111.5E245 Q252 G253 S258 A259 I260E245-M256 WeakPolarHBondContact OE1-CE 3.42Å; E245-M256 VanDerWaalsContact OE1-SD 3.34Å; Q252-M256 PolarHBondContact O-N 2.8Å; G253-M256 PolarHBondContact O-N 3.43Å; M256-S258 VanDerWaalsContact C-N 3.29Å; M256-S258 PolarHBondContact O-N 3.07Å; M256-A259 WeakPolarHBondContact O-CB 3.47Å; M256-A259 PolarHBondContact O-N 3.18Å; M256-I260 HydrophobicContact CE-CD1 4.25Å; M256-I260 HydrophobicContact CG-CD1 4.15Å; M256-I260 WeakPolarHBondContact O-CG1 3.44Å; M256-I260 PolarHBondContact O-N 2.98Å
257L86.6Confident84.5Confident63 Ų6381.9 Ų81.933%0.3347%0.466SS..Hα-helixtrans-58.1-42.4177.1-169.3143.9000111.6L242 G253 A259 I260 Q261L242-L257 HydrophobicContact CD2-CD1 4.09Å; L242-L257 HydrophobicContact CD2-CD2 4.49Å; L242-L257 HydrophobicContact CD2-CG 3.66Å; G253-L257 VanDerWaalsContact O-CB 3.3Å; G253-L257 WeakPolarHBondContact O-CB 3.36Å; G253-L257 PolarHBondContact O-N 3.34Å; L257-A259 VanDerWaalsContact C-N 3.35Å; L257-A259 PolarHBondContact O-N 3.25Å; L257-I260 PolarHBondContact O-N 3.44Å; L257-Q261 HydrophobicContact CD2-CG 4.33Å; L257-Q261 WeakPolarHBondContact O-CB 3.41Å; L257-Q261 WeakPolarHBondContact O-CG 3.27Å; L257-Q261 PolarHBondContact O-N 3.48Å
258S89.8Confident86.3Confident62 Ų6280.5 Ų80.543%0.43445%0.448SS..Hα-helixtrans-64.6-36.817680.10000113N254 S255 M256 Q261 S262N254-S258 WeakPolarHBondContact O-CB 3.5Å; N254-S258 PolarHBondContact O-N 2.82Å; S255-S258 PolarHBondContact O-N 3.1Å; S255-S258 PolarHBondContact O-OG 3.42Å; M256-S258 VanDerWaalsContact C-N 3.29Å; M256-S258 PolarHBondContact O-N 3.07Å; S258-Q261 PolarHBondContact O-N 2.74Å; S258-S262 WeakPolarHBondContact O-CB 3.37Å; S258-S262 PolarHBondContact O-N 3.45Å
259A92.5Very high88.1Confident58 Ų5879.1 Ų79.148%0.47944%0.441SS..Hα-helixtrans-68.1-43.5177.900000111.1S255 M256 L257 S262 E263S255-A259 PolarHBondContact O-N 3.06Å; S255-A259 VanDerWaalsContact O-N 3.08Å; M256-A259 WeakPolarHBondContact O-CB 3.47Å; M256-A259 PolarHBondContact O-N 3.18Å; L257-A259 VanDerWaalsContact C-N 3.35Å; L257-A259 PolarHBondContact O-N 3.25Å; A259-S262 WeakPolarHBondContact O-CB 3.47Å; A259-S262 PolarHBondContact O-N 3.34Å; A259-E263 PolarHBondContact O-N 3.27Å
260I92.4Very high89.5Confident12 Ų1273.5 Ų73.56%0.06241%0.411CS..Hα-helixtrans-63.2-45.5176.3-60.8169.6000110.2L238 Q241 L242 M256 L257 S262 E263 V264L238-I260 HydrophobicContact CB-CG2 3.87Å; L238-I260 HydrophobicContact CD2-CG2 3.92Å; L238-I260 HydrophobicContact CG-CG2 4.45Å; Q241-I260 HydrophobicContact CB-CD1 4.41Å; L242-I260 HydrophobicContact CD1-CB 4.3Å; L242-I260 HydrophobicContact CD1-CG2 3.49Å; L242-I260 VanDerWaalsContact CD1-CG2 3.49Å; L242-I260 HydrophobicContact CD2-CB 4.45Å; L242-I260 HydrophobicContact CD2-CG2 4.4Å; L242-I260 HydrophobicContact CG-CB 4.19Å; L242-I260 HydrophobicContact CG-CD1 4.43Å; L242-I260 HydrophobicContact CG-CG2 3.64Å; M256-I260 HydrophobicContact CE-CD1 4.25Å; M256-I260 HydrophobicContact CG-CD1 4.15Å; M256-I260 WeakPolarHBondContact O-CG1 3.44Å; M256-I260 PolarHBondContact O-N 2.98Å; L257-I260 PolarHBondContact O-N 3.44Å; I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.06Å; I260-E263 PolarHBondContact O-N 2.77Å; I260-V264 HydrophobicContact CG2-CG2 4.4Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.71Å
261Q92.4Very high90.6Very high108 Ų10871.2 Ų71.251%0.50540%0.396SS..Hα-helixtrans-59.8-39.9176.1-75.4-179.5-10.400112.7L257 S258 V264 A265L257-Q261 HydrophobicContact CD2-CG 4.33Å; L257-Q261 WeakPolarHBondContact O-CB 3.41Å; L257-Q261 WeakPolarHBondContact O-CG 3.27Å; L257-Q261 PolarHBondContact O-N 3.48Å; S258-Q261 PolarHBondContact O-N 2.74Å; Q261-V264 PolarHBondContact O-N 2.92Å; Q261-A265 WeakPolarHBondContact O-CB 3.17Å; Q261-A265 PolarHBondContact O-N 2.69Å
262S95.7Very high91.6Very high79 Ų7971 Ų7155%0.55239%0.39SS*.Hα-helixtrans-62.9-43.5175.2-172.30000111.9S258 A259 I260 A265 K266S258-S262 WeakPolarHBondContact O-CB 3.37Å; S258-S262 PolarHBondContact O-N 3.45Å; A259-S262 WeakPolarHBondContact O-CB 3.47Å; A259-S262 PolarHBondContact O-N 3.34Å; I260-S262 VanDerWaalsContact C-N 3.31Å; I260-S262 PolarHBondContact O-N 3.06Å; S262-A265 PolarHBondContact O-N 3.32Å; S262-K266 WeakPolarHBondContact O-CB 3.48Å; S262-K266 PolarHBondContact O-N 3.35Å
263E95.6Very high92.6Very high73 Ų7368 Ų6834%0.34138%0.377SS..Hα-helixtrans-69.5-35.6179.1-16263.5-16000111.7L238 A259 I260 K266 N267L238-E263 HydrophobicContact CD1-CB 4.06Å; L238-E263 HydrophobicContact CD1-CG 3.9Å; A259-E263 PolarHBondContact O-N 3.27Å; I260-E263 PolarHBondContact O-N 2.77Å; E263-K266 PolarHBondContact O-N 2.89Å; E263-K266 IonicContact OE1-NZ 3.89Å; E263-K266 PolarHBondContact OE1-NZ 2.8Å; E263-K266 IonicContact OE2-NZ 3.82Å; E263-K266 PolarHBondContact OE2-NZ 2.73Å; E263-N267 PolarHBondContact O-N 2.89Å; E263-N267 PolarHBondContact O-ND2 3.28Å
264V95.8Very high93.5Very high26 Ų2668.1 Ų68.116%0.15837%0.371CS..Hα-helixtrans-60.7-48.6171.21700000110.7I235 L238 I260 Q261 K266 N267 Q268I235-V264 HydrophobicContact CG2-CG1 4.24Å; L238-V264 HydrophobicContact CB-CG2 3.65Å; L238-V264 HydrophobicContact CD1-CG2 4Å; L238-V264 HydrophobicContact CG-CG2 4.46Å; I260-V264 HydrophobicContact CG2-CG2 4.4Å; I260-V264 WeakPolarHBondContact O-CG2 3.47Å; I260-V264 PolarHBondContact O-N 2.71Å; Q261-V264 PolarHBondContact O-N 2.92Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.07Å; V264-N267 PolarHBondContact O-N 2.93Å; V264-Q268 WeakPolarHBondContact O-CB 3.46Å; V264-Q268 PolarHBondContact O-N 2.86Å
265A96.8Very high94.3Very high62 Ų6266.3 Ų66.351%0.51236%0.364SS..Hα-helixtrans-60.9-40.6178.800000112.1Q261 S262 Q268 M269Q261-A265 WeakPolarHBondContact O-CB 3.17Å; Q261-A265 PolarHBondContact O-N 2.69Å; S262-A265 PolarHBondContact O-N 3.32Å; A265-Q268 PolarHBondContact O-N 2.68Å; A265-M269 PolarHBondContact O-N 3.22Å
266K97.4Very high94.9Very high100 Ų10067.7 Ų67.744%0.43536%0.361SS..Hα-helixtrans-61.2-48174.5174.7-175163.2-155.30112.1S262 E263 V264 Q268 M269 L270S262-K266 WeakPolarHBondContact O-CB 3.48Å; S262-K266 PolarHBondContact O-N 3.35Å; E263-K266 PolarHBondContact O-N 2.89Å; E263-K266 IonicContact OE1-NZ 3.89Å; E263-K266 PolarHBondContact OE1-NZ 2.8Å; E263-K266 IonicContact OE2-NZ 3.82Å; E263-K266 PolarHBondContact OE2-NZ 2.73Å; V264-K266 VanDerWaalsContact C-N 3.31Å; V264-K266 PolarHBondContact O-N 3.07Å; K266-Q268 VanDerWaalsContact C-N 3.28Å; K266-Q268 PolarHBondContact O-N 2.86Å; K266-M269 WeakPolarHBondContact O-CB 3.42Å; K266-M269 PolarHBondContact O-N 3.18Å; K266-L270 HydrophobicContact CG-CD1 4.44Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.28Å
267N97.2Very high95.4Very high4 Ų464.3 Ų64.32%0.02134%0.344CS..Hα-helixtrans-64.7-34.3177.6-75.6-79.5000111.7I235 E263 V264 L270 I271I235-N267 HydrophobicContact CD1-CB 3.78Å; I235-N267 HydrophobicContact CG1-CB 3.53Å; E263-N267 PolarHBondContact O-N 2.89Å; E263-N267 PolarHBondContact O-ND2 3.28Å; V264-N267 PolarHBondContact O-N 2.93Å; N267-L270 PolarHBondContact O-N 2.88Å; N267-I271 WeakPolarHBondContact O-CG1 3.42Å; N267-I271 PolarHBondContact O-N 3.25Å
268Q97.7Very high95.6Very high108 Ų10863.3 Ų63.351%0.50534%0.339SS..Hα-helixtrans-64.9-41.1175.5-165.665.93000112I235 V264 A265 K266 I271 E272I235-Q268 HydrophobicContact CD1-CB 4.39Å; V264-Q268 WeakPolarHBondContact O-CB 3.46Å; V264-Q268 PolarHBondContact O-N 2.86Å; A265-Q268 PolarHBondContact O-N 2.68Å; K266-Q268 VanDerWaalsContact C-N 3.28Å; K266-Q268 PolarHBondContact O-N 2.86Å; Q268-I271 WeakPolarHBondContact O-CB 3.47Å; Q268-I271 PolarHBondContact O-N 2.81Å; Q268-E272 PolarHBondContact O-N 3.32Å; Q268-E272 VanDerWaalsContact O-N 3.12Å
269M98Very high95.9Very high101 Ų10166 Ų6650%0.49834%0.343SS..Hα-helixtrans-61.7-43.8173.6-172.5-171.179.200111.3A265 K266 I271 E272 E273A265-M269 PolarHBondContact O-N 3.22Å; K266-M269 WeakPolarHBondContact O-CB 3.42Å; K266-M269 PolarHBondContact O-N 3.18Å; M269-I271 VanDerWaalsContact C-N 3.31Å; M269-I271 PolarHBondContact O-N 3.31Å; M269-E272 WeakPolarHBondContact O-CB 3.43Å; M269-E272 PolarHBondContact O-N 3.37Å; M269-E272 VanDerWaalsContact O-N 3.09Å; M269-E273 PolarHBondContact O-N 3.37Å
270L97.4Very high96Very high38 Ų3868.9 Ų68.920%0.19934%0.341CS..Hα-helixtrans-62.6-36176.7-67.8171.5000112.4Y231 K266 N267 E272 E273 E274Y231-L270 HydrophobicContact CD1-CB 4.49Å; Y231-L270 HydrophobicContact CD1-CD1 4.26Å; Y231-L270 HydrophobicContact CD2-CB 3.71Å; Y231-L270 HydrophobicContact CE1-CB 4.42Å; Y231-L270 HydrophobicContact CE1-CD1 3.89Å; Y231-L270 HydrophobicContact CE2-CB 3.61Å; Y231-L270 HydrophobicContact CE2-CD1 4.48Å; Y231-L270 HydrophobicContact CG-CB 4.19Å; K266-L270 HydrophobicContact CG-CD1 4.44Å; K266-L270 WeakPolarHBondContact O-CG 3.38Å; K266-L270 PolarHBondContact O-N 3.28Å; N267-L270 PolarHBondContact O-N 2.88Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E273 PolarHBondContact O-N 3.47Å; L270-E274 WeakPolarHBondContact O-CG 3.39Å; L270-E274 PolarHBondContact O-N 2.81Å
271I98.1Very high95.9Very high13 Ų1369.4 Ų69.47%0.06734%0.343CS..Hα-helixtrans-62.3-43.3172.3-71.4167.9000110.8K228 Y231 E232 I235 N267 Q268 M269 E273 E274 V275K228-I271 HydrophobicContact CG-CG2 4.23Å; Y231-I271 HydrophobicContact CD2-CG1 4.16Å; Y231-I271 HydrophobicContact CG-CG1 4.33Å; E232-I271 HydrophobicContact CG-CD1 3.7Å; I235-I271 HydrophobicContact CD1-CD1 3.58Å; N267-I271 WeakPolarHBondContact O-CG1 3.42Å; N267-I271 PolarHBondContact O-N 3.25Å; Q268-I271 WeakPolarHBondContact O-CB 3.47Å; Q268-I271 PolarHBondContact O-N 2.81Å; M269-I271 VanDerWaalsContact C-N 3.31Å; M269-I271 PolarHBondContact O-N 3.31Å; I271-E273 VanDerWaalsContact C-N 3.34Å; I271-E273 PolarHBondContact O-N 2.95Å; I271-E274 PolarHBondContact O-N 3.13Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 VanDerWaalsContact O-CG2 3.29Å; I271-V275 WeakPolarHBondContact O-CG2 3.42Å; I271-V275 PolarHBondContact O-N 3.44Å
272E98Very high95.7Very high145 Ų14571 Ų7168%0.67835%0.348SS*.Hα-helixtrans-63.2-41.7178.9-171.4171.6-170.500111.8Q268 M269 L270 V275 Q276Q268-E272 PolarHBondContact O-N 3.32Å; Q268-E272 VanDerWaalsContact O-N 3.12Å; M269-E272 WeakPolarHBondContact O-CB 3.43Å; M269-E272 PolarHBondContact O-N 3.37Å; M269-E272 VanDerWaalsContact O-N 3.09Å; L270-E272 VanDerWaalsContact C-N 3.34Å; E272-V275 PolarHBondContact O-N 3.14Å; E272-Q276 WeakPolarHBondContact O-CB 3.14Å; E272-Q276 PolarHBondContact O-N 3.47Å
273E96.9Very high95.6Very high106 Ų10671.3 Ų71.350%0.49534%0.343SS..Hα-helixtrans-59.5-46.6173.4-70.5179.1178.600112M269 L270 I271 Q276 K277M269-E273 PolarHBondContact O-N 3.37Å; L270-E273 PolarHBondContact O-N 3.47Å; I271-E273 VanDerWaalsContact C-N 3.34Å; I271-E273 PolarHBondContact O-N 2.95Å; E273-Q276 PolarHBondContact O-N 2.88Å; E273-K277 WeakPolarHBondContact O-CB 3.25Å; E273-K277 PolarHBondContact O-N 3.25Å
274E96.5Very high95.4Very high21 Ų2170.5 Ų70.510%0.09834%0.339CS..Hα-helixtrans-62.8-42.3176.7-76.8-59133.300112.2Q31 R227 K228 Y231 L270 I271 Q276 K277 L278Q31-E274 PolarHBondContact NE2-OE2 3.4Å; R227-E274 HydrophobicContact CB-CG 3.94Å; K228-E274 HydrophobicContact CB-CB 4.42Å; Y231-E274 HydrophobicContact CD2-CG 4.41Å; Y231-E274 HydrophobicContact CE2-CG 3.9Å; L270-E274 WeakPolarHBondContact O-CG 3.39Å; L270-E274 PolarHBondContact O-N 2.81Å; I271-E274 PolarHBondContact O-N 3.13Å; E274-Q276 VanDerWaalsContact C-N 3.31Å; E274-Q276 PolarHBondContact O-N 2.78Å; E274-K277 WeakPolarHBondContact O-CB 3.16Å; E274-K277 PolarHBondContact O-N 2.73Å; E274-K277 IonicContact OE1-NZ 3.54Å; E274-K277 PolarHBondContact OE1-NZ 2.99Å; E274-K277 WeakPolarHBondContact OE2-CE 3.41Å; E274-K277 IonicContact OE2-NZ 2.69Å; E274-K277 PolarHBondContact OE2-NZ 3.24Å; E274-L278 WeakPolarHBondContact O-CG 3.24Å; E274-L278 PolarHBondContact O-N 3.31Å
275V96.4Very high94.8Very high47 Ų4770.2 Ų70.229%0.28534%0.336SS..Hα-helixtrans-61.7-41.9175.5168.70000110.7K228 I271 E272 K277 L278 K279K228-V275 HydrophobicContact CD-CG2 4.06Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 VanDerWaalsContact O-CG2 3.29Å; I271-V275 WeakPolarHBondContact O-CG2 3.42Å; I271-V275 PolarHBondContact O-N 3.44Å; E272-V275 PolarHBondContact O-N 3.14Å; V275-K277 VanDerWaalsContact C-N 3.34Å; V275-L278 PolarHBondContact O-N 3.05Å; V275-K279 HydrophobicContact CG1-CD 4.38Å; V275-K279 WeakPolarHBondContact O-CG 3.29Å; V275-K279 PolarHBondContact O-N 3.28Å
276Q96.9Very high94.4Very high105 Ų10572.3 Ų72.349%0.49134%0.338SS..Hα-helixtrans-68.3-35.5177.6-168.364.9-1.600112E272 E273 E274 K279 R280E272-Q276 WeakPolarHBondContact O-CB 3.14Å; E272-Q276 PolarHBondContact O-N 3.47Å; E273-Q276 PolarHBondContact O-N 2.88Å; E274-Q276 VanDerWaalsContact C-N 3.31Å; E274-Q276 PolarHBondContact O-N 2.78Å; Q276-K279 PolarHBondContact O-N 2.86Å; Q276-R280 PolarHBondContact O-N 3.11Å
277K95.6Very high94.1Very high20 Ų2074.8 Ų74.89%0.08734%0.344CS..Hα-helixtrans-61.5-48.6173-172.4174.576.7-170.30111.7E33 E273 E274 V275 K279 R280 Y281E33-K277 VanDerWaalsContact CD-NZ 3.26Å; E33-K277 IonicContact OE1-NZ 3.46Å; E33-K277 PolarHBondContact OE1-NZ 3.28Å; E33-K277 IonicContact OE2-NZ 2.69Å; E33-K277 PolarHBondContact OE2-NZ 2.99Å; E273-K277 WeakPolarHBondContact O-CB 3.25Å; E273-K277 PolarHBondContact O-N 3.25Å; E274-K277 WeakPolarHBondContact O-CB 3.16Å; E274-K277 PolarHBondContact O-N 2.73Å; E274-K277 IonicContact OE1-NZ 3.54Å; E274-K277 PolarHBondContact OE1-NZ 2.99Å; E274-K277 WeakPolarHBondContact OE2-CE 3.41Å; E274-K277 IonicContact OE2-NZ 2.69Å; E274-K277 PolarHBondContact OE2-NZ 3.24Å; V275-K277 VanDerWaalsContact C-N 3.34Å; K277-K279 VanDerWaalsContact C-N 3.34Å; K277-K279 PolarHBondContact O-N 3.15Å; K277-R280 WeakPolarHBondContact O-CB 3.37Å; K277-R280 PolarHBondContact O-N 2.96Å; K277-R280 VanDerWaalsContact O-N 3.12Å; K277-Y281 HydrophobicContact CD-CE2 4.19Å; K277-Y281 HydrophobicContact CG-CD2 4.41Å; K277-Y281 HydrophobicContact CG-CE1 4.14Å; K277-Y281 HydrophobicContact CG-CE2 3.8Å; K277-Y281 PolarHBondContact O-N 3.43Å
278L91.4Very high93.5Very high41 Ų4176.8 Ų76.822%0.21535%0.352CS..Hα-helixtrans-62-39.5176.8-71.2176000112.5T19 E274 V275 R280 Y281 K282T19-L278 HydrophobicContact CG2-CD2 4.46Å; E274-L278 WeakPolarHBondContact O-CG 3.24Å; E274-L278 PolarHBondContact O-N 3.31Å; V275-L278 PolarHBondContact O-N 3.05Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 3.49Å; L278-Y281 HydrophobicContact CD2-CD2 4.31Å; L278-Y281 PolarHBondContact O-N 2.8Å; L278-K282 PolarHBondContact O-N 3.36Å
279K94.6Very high92.7Very high119 Ų11974.9 Ų74.952%0.51734%0.342SS..Hα-helixtrans-60-44173.1-74.7171.7-176.5170.80111.5V275 Q276 K277 K282 I283V275-K279 HydrophobicContact CG1-CD 4.38Å; V275-K279 WeakPolarHBondContact O-CG 3.29Å; V275-K279 PolarHBondContact O-N 3.28Å; Q276-K279 PolarHBondContact O-N 2.86Å; K277-K279 VanDerWaalsContact C-N 3.34Å; K277-K279 PolarHBondContact O-N 3.15Å; K279-K282 PolarHBondContact O-N 2.62Å; K279-I283 WeakPolarHBondContact O-CG1 3.4Å; K279-I283 PolarHBondContact O-N 2.88Å; K279-I283 VanDerWaalsContact O-N 3.13Å
280R94.9Very high92.3Very high119 Ų11974.8 Ų74.845%0.44934%0.34SS..Hα-helixtrans-61.9-46.6177176.8171.649.5-111.9-2.5111.4Q276 K277 L278 K282 I283 E284Q276-R280 PolarHBondContact O-N 3.11Å; K277-R280 WeakPolarHBondContact O-CB 3.37Å; K277-R280 PolarHBondContact O-N 2.96Å; K277-R280 VanDerWaalsContact O-N 3.12Å; L278-R280 VanDerWaalsContact C-N 3.33Å; L278-R280 PolarHBondContact O-N 3.49Å; R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 3.39Å; R280-I283 PolarHBondContact O-N 3.17Å; R280-I283 VanDerWaalsContact O-N 3.1Å; R280-E284 HydrophobicContact CG-CG 4.38Å; R280-E284 WeakPolarHBondContact O-CG 3.31Å; R280-E284 PolarHBondContact O-N 3.27Å
281Y90.4Very high91.8Very high22 Ų2275.6 Ų75.69%0.08634%0.344CS..Hα-helixtrans-57.3-41.9176.3-66.7-20.7000112.6G16 K277 L278 I283 E284 N285G16-Y281 VanDerWaalsContact CA-CD2 3.43Å; G16-Y281 VanDerWaalsContact CA-CG 3.47Å; K277-Y281 HydrophobicContact CD-CE2 4.19Å; K277-Y281 HydrophobicContact CG-CD2 4.41Å; K277-Y281 HydrophobicContact CG-CE1 4.14Å; K277-Y281 HydrophobicContact CG-CE2 3.8Å; K277-Y281 PolarHBondContact O-N 3.43Å; L278-Y281 HydrophobicContact CD2-CD2 4.31Å; L278-Y281 PolarHBondContact O-N 2.8Å; Y281-I283 PolarHBondContact O-N 3.2Å; Y281-E284 PolarHBondContact O-N 2.86Å; Y281-N285 WeakPolarHBondContact O-CB 2.95Å; Y281-N285 PolarHBondContact O-N 2.97Å
282K89.2Confident91.5Very high141 Ų14179 Ų7961%0.61336%0.357SS*.Hα-helixtrans-61.1-43.8176-170.3173.7-177.6174.90112.1L278 K279 R280 N285 I286L278-K282 PolarHBondContact O-N 3.36Å; K279-K282 PolarHBondContact O-N 2.62Å; R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 3.39Å; K282-N285 PolarHBondContact O-N 3.33Å; K282-I286 WeakPolarHBondContact O-CG1 3.21Å; K282-I286 PolarHBondContact O-N 2.99Å; K282-I286 VanDerWaalsContact O-N 3.11Å
283I92.9Very high91Very high87 Ų8774.4 Ų74.445%0.44634%0.337SS..Hα-helixtrans-64.8-44.6177.5-65.8167.7000110.8K279 R280 Y281 N285 I286 R287K279-I283 WeakPolarHBondContact O-CG1 3.4Å; K279-I283 PolarHBondContact O-N 2.88Å; K279-I283 VanDerWaalsContact O-N 3.13Å; R280-I283 PolarHBondContact O-N 3.17Å; R280-I283 VanDerWaalsContact O-N 3.1Å; Y281-I283 PolarHBondContact O-N 3.2Å; I283-N285 VanDerWaalsContact C-N 3.32Å; I283-N285 PolarHBondContact O-N 3.02Å; I283-I286 WeakPolarHBondContact O-CB 3.32Å; I283-I286 PolarHBondContact O-N 2.93Å; I283-R287 WeakPolarHBondContact O-CG 3.25Å; I283-R287 PolarHBondContact O-N 3.19Å
284E90.4Very high90.9Very high55 Ų5573.3 Ų73.326%0.25734%0.339SS..Hα-helixtrans-63.2-39.7178.1-70.4-177.8174.500111.9R280 Y281 I286 R287 R288R280-E284 HydrophobicContact CG-CG 4.38Å; R280-E284 WeakPolarHBondContact O-CG 3.31Å; R280-E284 PolarHBondContact O-N 3.27Å; Y281-E284 PolarHBondContact O-N 2.86Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.38Å; E284-R287 CarbonylContact O-C 3.59Å; E284-R287 WeakPolarHBondContact O-CA 3.5Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 3.49Å; E284-R287 VanDerWaalsContact O-N 3.1Å; E284-R288 VanDerWaalsContact CB-NH1 3.29Å; E284-R288 WeakPolarHBondContact O-CG 3.28Å; E284-R288 PolarHBondContact O-N 2.91Å; E284-R288 IonicContact OE2-CZ 2.82Å; E284-R288 IonicContact OE2-NH1 2.69Å; E284-R288 IonicContact OE2-NH2 3.76Å; E284-R288 PolarHBondContact OE2-NH2 2.79Å
285N83.7Confident90.9Very high21 Ų2178.1 Ų78.111%0.11236%0.36CS..Hα-helixtrans-63.2-38.9176-163.431.6000112.1F143 Y281 K282 I283 R287 R288 K289F143-N285 WeakPolarHBondContact CD1-ND2 3.29Å; F143-N285 WeakPolarHBondContact CD1-OD1 3.49Å; F143-N285 VanDerWaalsContact CE1-ND2 3.27Å; F143-N285 WeakPolarHBondContact CE1-ND2 3.42Å; Y281-N285 WeakPolarHBondContact O-CB 2.95Å; Y281-N285 PolarHBondContact O-N 2.97Å; K282-N285 PolarHBondContact O-N 3.33Å; I283-N285 VanDerWaalsContact C-N 3.32Å; I283-N285 PolarHBondContact O-N 3.02Å; N285-R287 VanDerWaalsContact C-N 3.31Å; N285-R287 PolarHBondContact O-N 3.48Å; N285-R288 PolarHBondContact O-N 3.39Å; N285-K289 VanDerWaalsContact CG-CE 3.45Å; N285-K289 VanDerWaalsContact ND2-CE 3.29Å; N285-K289 WeakPolarHBondContact ND2-CE 3.39Å; N285-K289 PolarHBondContact ND2-NZ 3.24Å; N285-K289 WeakPolarHBondContact O-CG 3.29Å; N285-K289 PolarHBondContact O-N 2.73Å; N285-K289 VanDerWaalsContact O-N 3.07Å; N285-K289 WeakPolarHBondContact OD1-CE 3.35Å
286I88.7Confident90.8Very high106 Ų10679 Ų7954%0.54436%0.362SS..Hα-helixtrans-59.9-43.7172.5-67.7164.2000110.4K282 I283 E284 H290K282-I286 WeakPolarHBondContact O-CG1 3.21Å; K282-I286 PolarHBondContact O-N 2.99Å; K282-I286 VanDerWaalsContact O-N 3.11Å; I283-I286 WeakPolarHBondContact O-CB 3.32Å; I283-I286 PolarHBondContact O-N 2.93Å; E284-I286 VanDerWaalsContact C-N 3.32Å; E284-I286 PolarHBondContact O-N 3.38Å; I286-H290 WeakPolarHBondContact O-CB 3.35Å; I286-H290 PolarHBondContact O-N 3.16Å
287R90.2Very high90.7Very high151 Ų15179.2 Ų79.257%0.5737%0.365SS*.Hα-helixtrans-64.2-45.1176.8-66.1172.7-178-176.10.2111.7I283 E284 N285 K289 H290 Y292I283-R287 WeakPolarHBondContact O-CG 3.25Å; I283-R287 PolarHBondContact O-N 3.19Å; E284-R287 CarbonylContact O-C 3.59Å; E284-R287 WeakPolarHBondContact O-CA 3.5Å; E284-R287 WeakPolarHBondContact O-CB 3.41Å; E284-R287 PolarHBondContact O-N 3.49Å; E284-R287 VanDerWaalsContact O-N 3.1Å; N285-R287 VanDerWaalsContact C-N 3.31Å; N285-R287 PolarHBondContact O-N 3.48Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.37Å; R287-H290 PolarHBondContact O-N 2.85Å; R287-H290 VanDerWaalsContact O-N 3.14Å; R287-Y292 WeakPolarHBondContact O-CE2 3.28Å
288R85.2Confident90.8Very high46 Ų4682.8 Ų82.817%0.17438%0.381CS..Hα-helixtrans-60.4-36.4179.9-72.2179.8-171103.211.4112.6E12 D14 E284 N285E12-R288 IonicContact OE2-NE 3.27Å; D14-R288 VanDerWaalsContact CG-NH2 3.34Å; D14-R288 IonicContact OD1-CZ 2.73Å; D14-R288 IonicContact OD1-NH1 3.63Å; D14-R288 IonicContact OD1-NH2 3.73Å; D14-R288 IonicContact OD2-CZ 3.14Å; D14-R288 IonicContact OD2-NH2 2.66Å; D14-R288 PolarHBondContact OD2-NH2 2.83Å; E284-R288 VanDerWaalsContact CB-NH1 3.29Å; E284-R288 WeakPolarHBondContact O-CG 3.28Å; E284-R288 PolarHBondContact O-N 2.91Å; E284-R288 IonicContact OE2-CZ 2.82Å; E284-R288 IonicContact OE2-NH1 2.69Å; E284-R288 IonicContact OE2-NH2 3.76Å; E284-R288 PolarHBondContact OE2-NH2 2.79Å; N285-R288 PolarHBondContact O-N 3.39Å
289K81.6Confident91Very high68 Ų6884.6 Ų84.630%0.29639%0.391SS..THydrogen-bonded Turntrans-86.3-7.9178.8-62.2-177.1-160.2-163.70113.9S142 Q146 N285 R287S142-K289 VanDerWaalsContact O-CD 3.28Å; S142-K289 WeakPolarHBondContact O-CD 3.44Å; S142-K289 WeakPolarHBondContact O-CE 3.45Å; S142-K289 PolarHBondContact O-NZ 3.13Å; Q146-K289 PolarHBondContact OE1-O 2.77Å; N285-K289 VanDerWaalsContact CG-CE 3.45Å; N285-K289 VanDerWaalsContact ND2-CE 3.29Å; N285-K289 WeakPolarHBondContact ND2-CE 3.39Å; N285-K289 PolarHBondContact ND2-NZ 3.24Å; N285-K289 WeakPolarHBondContact O-CG 3.29Å; N285-K289 PolarHBondContact O-N 2.73Å; N285-K289 VanDerWaalsContact O-N 3.07Å; N285-K289 WeakPolarHBondContact OD1-CE 3.35Å; R287-K289 VanDerWaalsContact C-N 3.29Å; R287-K289 PolarHBondContact O-N 3.37Å
290H88.5Confident91.1Very high100 Ų10082.6 Ų82.646%0.46339%0.385SS..  trans-76.7133-174.4-169.170.4000111.7I286 R287 Y292I286-H290 WeakPolarHBondContact O-CB 3.35Å; I286-H290 PolarHBondContact O-N 3.16Å; R287-H290 PolarHBondContact O-N 2.85Å; R287-H290 VanDerWaalsContact O-N 3.14Å; H290-Y292 HydrophobicContact CB-CD2 4.46Å; H290-Y292 HydrophobicContact CB-CE2 3.94Å; H290-Y292 AromaticContact CD2-CD1 3.85Å; H290-Y292 AromaticContact CD2-CE1 3.79Å; H290-Y292 AromaticContact CD2-CZ 3.98Å; H290-Y292 VanDerWaalsContact O-CD2 3.24Å; H290-Y292 WeakPolarHBondContact O-CD2 3.31Å; H290-Y292 PolarHBondContact O-N 3.48Å
291N87.1Confident91.2Very high54 Ų5481.8 Ų81.829%0.28939%0.385SS..  trans-79.3102.4171.3-174.91.3000110.5Q146 L293 P294Q146-N291 HydrophobicContact CG-CB 3.9Å; N291-L293 VanDerWaalsContact C-N 3.31Å; N291-L293 PolarHBondContact O-N 3Å; N291-L293 VanDerWaalsContact OD1-CB 3.25Å; N291-L293 WeakPolarHBondContact OD1-CB 3.18Å; N291-L293 PolarHBondContact OD1-N 2.63Å; N291-P294 WeakPolarHBondContact O-CD 3.45Å
292Y91.4Very high91.5Very high84 Ų8483.4 Ų83.433%0.32940%0.398SS..  trans-78.9-7.1178.3-69.3-83.5000114.4R287 H290 F295 I296R287-Y292 WeakPolarHBondContact O-CE2 3.28Å; H290-Y292 HydrophobicContact CB-CD2 4.46Å; H290-Y292 HydrophobicContact CB-CE2 3.94Å; H290-Y292 AromaticContact CD2-CD1 3.85Å; H290-Y292 AromaticContact CD2-CE1 3.79Å; H290-Y292 AromaticContact CD2-CZ 3.98Å; H290-Y292 VanDerWaalsContact O-CD2 3.24Å; H290-Y292 WeakPolarHBondContact O-CD2 3.31Å; H290-Y292 PolarHBondContact O-N 3.48Å; Y292-F295 HydrophobicContact CD1-CD1 4.42Å; Y292-F295 WeakPolarHBondContact O-CB 3.25Å; Y292-F295 PolarHBondContact O-N 3.26Å; Y292-F295 VanDerWaalsContact O-N 3.17Å; Y292-I296 VanDerWaalsContact O-CG1 3.29Å; Y292-I296 WeakPolarHBondContact O-CG1 3.06Å; Y292-I296 PolarHBondContact O-N 3.44Å
293L89.4Confident91.9Very high49 Ų4978.8 Ų78.826%0.25738%0.379SS..Hα-helixtrans-58-48.6-176.5-178.467000112.8F149 N291 F295 I296 M297F149-L293 HydrophobicContact CE1-CD1 4.05Å; F149-L293 HydrophobicContact CE1-CD2 4.43Å; F149-L293 HydrophobicContact CZ-CD1 4.04Å; N291-L293 VanDerWaalsContact C-N 3.31Å; N291-L293 PolarHBondContact O-N 3Å; N291-L293 VanDerWaalsContact OD1-CB 3.25Å; N291-L293 WeakPolarHBondContact OD1-CB 3.18Å; N291-L293 PolarHBondContact OD1-N 2.63Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.34Å; L293-I296 PolarHBondContact O-N 3.49Å; L293-M297 HydrophobicContact CD1-CG 4.26Å; L293-M297 HydrophobicContact CD1-SD 4.48Å; L293-M297 HydrophobicContact CG-CG 4.43Å; L293-M297 VanDerWaalsContact O-CG 3.31Å; L293-M297 WeakPolarHBondContact O-CG 3.48Å; L293-M297 PolarHBondContact O-N 3.19Å
294P93.7Very high92.1Very high83 Ų8377.1 Ų77.154%0.53938%0.378SS..Hα-helixtrans-59.4-40.1176.8-23.735.5000112.8N291 M297 E298N291-P294 WeakPolarHBondContact O-CD 3.45Å; P294-M297 PolarHBondContact O-N 3.48Å; P294-E298 PolarHBondContact O-N 2.96Å
295F96Very high92.4Very high123 Ų12380.3 Ų80.354%0.53939%0.393SS..Hα-helixtrans-63.2-44.8176.6170.3-101.5000111.8Y292 L293 M297 E298 L299Y292-F295 HydrophobicContact CD1-CD1 4.42Å; Y292-F295 WeakPolarHBondContact O-CB 3.25Å; Y292-F295 PolarHBondContact O-N 3.26Å; Y292-F295 VanDerWaalsContact O-N 3.17Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.34Å; F295-M297 VanDerWaalsContact C-N 3.34Å; F295-M297 PolarHBondContact O-N 3.38Å; F295-E298 PolarHBondContact O-N 2.96Å; F295-L299 WeakPolarHBondContact O-CB 3.29Å; F295-L299 PolarHBondContact O-N 3.37Å
296I95Very high93.1Very high65 Ų6585.2 Ų85.233%0.33342%0.415SS..Hα-helixtrans-62-44.3177.5-67.9164.2000110.3M148 Y292 L293 E298 L299 L300M148-I296 HydrophobicContact SD-CD1 4.43Å; Y292-I296 VanDerWaalsContact O-CG1 3.29Å; Y292-I296 WeakPolarHBondContact O-CG1 3.06Å; Y292-I296 PolarHBondContact O-N 3.44Å; L293-I296 PolarHBondContact O-N 3.49Å; I296-E298 PolarHBondContact O-N 2.87Å; I296-L299 PolarHBondContact O-N 3.34Å; I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 HydrophobicContact CG2-CG 4.43Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 2.97Å
297M94.4Very high93.4Very high110 Ų11087.8 Ų87.854%0.54243%0.425SS..Hα-helixtrans-62-43.8178.8-67.4-54.1-65.600111.9L293 P294 F295 L300 K301L293-M297 HydrophobicContact CD1-CG 4.26Å; L293-M297 HydrophobicContact CD1-SD 4.48Å; L293-M297 HydrophobicContact CG-CG 4.43Å; L293-M297 VanDerWaalsContact O-CG 3.31Å; L293-M297 WeakPolarHBondContact O-CG 3.48Å; L293-M297 PolarHBondContact O-N 3.19Å; P294-M297 PolarHBondContact O-N 3.48Å; F295-M297 VanDerWaalsContact C-N 3.34Å; F295-M297 PolarHBondContact O-N 3.38Å; M297-L300 PolarHBondContact O-N 2.74Å; M297-K301 WeakPolarHBondContact O-CB 3.32Å; M297-K301 PolarHBondContact O-N 2.79Å
298E97Very high93.7Very high94 Ų9485.4 Ų85.444%0.43942%0.42SS..Hα-helixtrans-70.3-35.2179-160.661.4-154.500112.2P294 F295 I296 K301 T302P294-E298 PolarHBondContact O-N 2.96Å; F295-E298 PolarHBondContact O-N 2.96Å; I296-E298 PolarHBondContact O-N 2.87Å; E298-K301 PolarHBondContact O-N 3.43Å; E298-K301 IonicContact OE1-NZ 2.64Å; E298-K301 PolarHBondContact OE1-NZ 2.64Å; E298-K301 IonicContact OE2-NZ 3.72Å; E298-T302 WeakPolarHBondContact O-CB 3.42Å; E298-T302 PolarHBondContact O-N 3.15Å; E298-T302 PolarHBondContact O-OG1 3.4Å
299L97.2Very high94.2Very high80 Ų8085.4 Ų85.442%0.41942%0.423SS..Hα-helixtrans-60.1-48.5172.4175.362.3000111F295 I296 K301 T302 L303F295-L299 WeakPolarHBondContact O-CB 3.29Å; F295-L299 PolarHBondContact O-N 3.37Å; I296-L299 PolarHBondContact O-N 3.34Å; L299-K301 PolarHBondContact O-N 2.63Å; L299-T302 PolarHBondContact O-N 3.27Å; L299-L303 HydrophobicContact CD1-CD1 4.12Å; L299-L303 HydrophobicContact CD1-CG 4.23Å; L299-L303 HydrophobicContact CG-CD1 4.15Å; L299-L303 VanDerWaalsContact O-CG 3.29Å; L299-L303 WeakPolarHBondContact O-CG 3.4Å; L299-L303 PolarHBondContact O-N 3.05Å
300L96.5Very high94.9Very high76 Ų7687.5 Ų87.540%0.39844%0.437SS..Hα-helixtrans-62.3-43.3179-70.1175.1000111.7I296 M297 L303 A304 L309I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 HydrophobicContact CG2-CG 4.43Å; I296-L300 VanDerWaalsContact O-CG 3.29Å; I296-L300 WeakPolarHBondContact O-CG 3.29Å; I296-L300 PolarHBondContact O-N 2.97Å; M297-L300 PolarHBondContact O-N 2.74Å; L300-L303 PolarHBondContact O-N 3.14Å; L300-A304 WeakPolarHBondContact O-CB 3.47Å; L300-A304 PolarHBondContact O-N 3.07Å; L300-L309 HydrophobicContact CD2-CD1 4.05Å
301K96.6Very high95.3Very high103 Ų10385.8 Ų85.845%0.44844%0.435SS..Hα-helixtrans-61.3-48176.3-177.8-176.3164.2-149.20111.5M297 E298 L299 L303 A304 E305M297-K301 WeakPolarHBondContact O-CB 3.32Å; M297-K301 PolarHBondContact O-N 2.79Å; E298-K301 PolarHBondContact O-N 3.43Å; E298-K301 IonicContact OE1-NZ 2.64Å; E298-K301 PolarHBondContact OE1-NZ 2.64Å; E298-K301 IonicContact OE2-NZ 3.72Å; L299-K301 PolarHBondContact O-N 2.63Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.8Å; K301-A304 WeakPolarHBondContact O-CB 3.45Å; K301-A304 PolarHBondContact O-N 2.9Å; K301-A304 VanDerWaalsContact O-N 3.15Å; K301-E305 WeakPolarHBondContact CE-OE1 3.3Å; K301-E305 WeakPolarHBondContact O-CG 3.21Å; K301-E305 PolarHBondContact O-N 3.44Å
302T97.7Very high95.7Very high56 Ų5687.3 Ų87.334%0.34444%0.442SS..Hα-helixtrans-59.8-44.7178.2-59.20000111.3E298 L299 A304 E305 H306E298-T302 WeakPolarHBondContact O-CB 3.42Å; E298-T302 PolarHBondContact O-N 3.15Å; E298-T302 PolarHBondContact O-OG1 3.4Å; L299-T302 PolarHBondContact O-N 3.27Å; T302-A304 VanDerWaalsContact C-N 3.31Å; T302-A304 PolarHBondContact O-N 3.37Å; T302-E305 PolarHBondContact O-N 3Å; T302-H306 PolarHBondContact O-N 3.41Å; T302-H306 VanDerWaalsContact O-N 3.14Å; T302-H306 PolarHBondContact O-ND1 3.43Å
303L97.5Very high95.9Very high44 Ų4487.3 Ų87.323%0.2345%0.451CS..Hα-helixtrans-63.7-36.6177.1-71.2172.8000112.5L299 L300 K301 Q307 Q308 L309 L312L299-L303 HydrophobicContact CD1-CD1 4.12Å; L299-L303 HydrophobicContact CD1-CG 4.23Å; L299-L303 HydrophobicContact CG-CD1 4.15Å; L299-L303 VanDerWaalsContact O-CG 3.29Å; L299-L303 WeakPolarHBondContact O-CG 3.4Å; L299-L303 PolarHBondContact O-N 3.05Å; L300-L303 PolarHBondContact O-N 3.14Å; K301-L303 VanDerWaalsContact C-N 3.35Å; K301-L303 PolarHBondContact O-N 2.8Å; L303-Q307 PolarHBondContact O-N 2.94Å; L303-Q308 HydrophobicContact CD2-CB 4.02Å; L303-Q308 PolarHBondContact O-N 3.03Å; L303-L309 HydrophobicContact CB-CB 3.98Å; L303-L309 HydrophobicContact CB-CD1 4.21Å; L303-L309 HydrophobicContact CD1-CD1 4.31Å; L303-L309 PolarHBondContact O-N 3.19Å; L303-L312 HydrophobicContact CD1-CD1 4.35Å; L303-L312 HydrophobicContact CD2-CD1 3.98Å
304A96.2Very high96.2Very high51 Ų5190.5 Ų90.542%0.42146%0.464SS..Hα-helixtrans-67.7-45.5176.800000111.5L300 K301 T302 H306 Q307 L309L300-A304 WeakPolarHBondContact O-CB 3.47Å; L300-A304 PolarHBondContact O-N 3.07Å; K301-A304 WeakPolarHBondContact O-CB 3.45Å; K301-A304 PolarHBondContact O-N 2.9Å; K301-A304 VanDerWaalsContact O-N 3.15Å; T302-A304 VanDerWaalsContact C-N 3.31Å; T302-A304 PolarHBondContact O-N 3.37Å; A304-H306 VanDerWaalsContact C-N 3.27Å; A304-H306 PolarHBondContact O-N 2.83Å; A304-Q307 PolarHBondContact O-N 3.02Å; A304-L309 HydrophobicContact CB-CB 4.44Å; A304-L309 HydrophobicContact CB-CD2 4.02Å
305E96.9Very high96.3Very high123 Ų12392.2 Ų92.258%0.57546%0.463SS*.Hα-helixtrans-59.5-37.5178.1-73.8176178.500112.3K301 T302 Q307K301-E305 WeakPolarHBondContact CE-OE1 3.3Å; K301-E305 WeakPolarHBondContact O-CG 3.21Å; K301-E305 PolarHBondContact O-N 3.44Å; T302-E305 PolarHBondContact O-N 3Å; E305-Q307 VanDerWaalsContact C-N 3.27Å; E305-Q307 PolarHBondContact O-N 3.24Å
306H97.3Very high96.2Very high123 Ų12389.1 Ų89.157%0.56946%0.46SS*.THydrogen-bonded Turntrans-87.610.5178.1-64.280.6000113.8T302 A304 Q308T302-H306 PolarHBondContact O-N 3.41Å; T302-H306 VanDerWaalsContact O-N 3.14Å; T302-H306 PolarHBondContact O-ND1 3.43Å; A304-H306 VanDerWaalsContact C-N 3.27Å; A304-H306 PolarHBondContact O-N 2.83Å; H306-Q308 HydrophobicContact CB-CG 4.08Å; H306-Q308 WeakPolarHBondContact O-CG 3.42Å; H306-Q308 PolarHBondContact O-N 2.99Å; H306-Q308 PolarHBondContact O-NE2 3.29Å
307Q95.8Very high96.2Very high160 Ų16092.3 Ų92.375%0.74847%0.472SS*.THydrogen-bonded Turntrans54.522.6-177.8-57.1-178.7-3.200114.2L303 A304 E305 P311L303-Q307 PolarHBondContact O-N 2.94Å; A304-Q307 PolarHBondContact O-N 3.02Å; E305-Q307 VanDerWaalsContact C-N 3.27Å; E305-Q307 PolarHBondContact O-N 3.24Å; Q307-P311 VanDerWaalsContact O-CD 3.32Å; Q307-P311 WeakPolarHBondContact O-CD 3.46Å
308Q96.9Very high96.2Very high101 Ų10193.6 Ų93.647%0.47248%0.477SS..  trans-89.9-20.5179.1-62.7-54.7-59.700112.3L303 H306 P311 L312L303-Q308 HydrophobicContact CD2-CB 4.02Å; L303-Q308 PolarHBondContact O-N 3.03Å; H306-Q308 HydrophobicContact CB-CG 4.08Å; H306-Q308 WeakPolarHBondContact O-CG 3.42Å; H306-Q308 PolarHBondContact O-N 2.99Å; H306-Q308 PolarHBondContact O-NE2 3.29Å; Q308-P311 WeakPolarHBondContact O-CD 3.47Å; Q308-L312 HydrophobicContact CB-CD1 4.38Å; Q308-L312 WeakPolarHBondContact O-CB 3.47Å; Q308-L312 WeakPolarHBondContact O-CD1 3.32Å; Q308-L312 WeakPolarHBondContact O-CG 3.33Å; Q308-L312 PolarHBondContact O-N 3Å
309L95.5Very high96.1Very high46 Ų4696 Ų9624%0.24149%0.486CS..Hα-helixtrans-63.5-51.2-174.2-173.760.7000112.8L300 L303 A304 L312 V313L300-L309 HydrophobicContact CD2-CD1 4.05Å; L303-L309 HydrophobicContact CB-CB 3.98Å; L303-L309 HydrophobicContact CB-CD1 4.21Å; L303-L309 HydrophobicContact CD1-CD1 4.31Å; L303-L309 PolarHBondContact O-N 3.19Å; A304-L309 HydrophobicContact CB-CB 4.44Å; A304-L309 HydrophobicContact CB-CD2 4.02Å; L309-L312 PolarHBondContact O-N 3.16Å; L309-V313 HydrophobicContact CD1-CG2 4.34Å; L309-V313 WeakPolarHBondContact O-CG2 3.19Å; L309-V313 PolarHBondContact O-N 3.19Å
310I95.9Very high95.8Very high112 Ų11297.5 Ų97.557%0.57449%0.49SS*.Hα-helixtrans-62-49.2-177.7-59.1-60.9000111.9L312 V313 E314I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 PolarHBondContact O-N 3.28Å; I310-V313 PolarHBondContact O-N 3.28Å; I310-V313 VanDerWaalsContact O-N 3.16Å; I310-E314 HydrophobicContact CG2-CG 4.46Å; I310-E314 WeakPolarHBondContact O-CG 3.41Å; I310-E314 PolarHBondContact O-N 3.33Å
311P96.6Very high95.6Very high65 Ų6598 Ų9842%0.42249%0.494SS..Hα-helixtrans-57.1-38.9175.4-25.833.4000113.7Q307 Q308 K315Q307-P311 VanDerWaalsContact O-CD 3.32Å; Q307-P311 WeakPolarHBondContact O-CD 3.46Å; Q308-P311 WeakPolarHBondContact O-CD 3.47Å; P311-K315 VanDerWaalsContact O-CB 3.32Å; P311-K315 WeakPolarHBondContact O-CB 3.45Å; P311-K315 PolarHBondContact O-N 3.04Å
312L96.7Very high95.3Very high85 Ų8595.9 Ų95.945%0.44550%0.495SS..Hα-helixtrans-67.8-39.2178.4-73.2171.8000112.2L303 Q308 L309 I310 A316L303-L312 HydrophobicContact CD1-CD1 4.35Å; L303-L312 HydrophobicContact CD2-CD1 3.98Å; Q308-L312 HydrophobicContact CB-CD1 4.38Å; Q308-L312 WeakPolarHBondContact O-CB 3.47Å; Q308-L312 WeakPolarHBondContact O-CD1 3.32Å; Q308-L312 WeakPolarHBondContact O-CG 3.33Å; Q308-L312 PolarHBondContact O-N 3Å; L309-L312 PolarHBondContact O-N 3.16Å; I310-L312 VanDerWaalsContact C-N 3.28Å; I310-L312 PolarHBondContact O-N 3.28Å; L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.42Å
313V95.3Very high94.8Very high84 Ų8499.5 Ų99.551%0.50951%0.506SS..Hα-helixtrans-65.6-43.7176171.20000110.9L309 I310 A316 K317L309-V313 HydrophobicContact CD1-CG2 4.34Å; L309-V313 WeakPolarHBondContact O-CG2 3.19Å; L309-V313 PolarHBondContact O-N 3.19Å; I310-V313 PolarHBondContact O-N 3.28Å; I310-V313 VanDerWaalsContact O-N 3.16Å; V313-A316 PolarHBondContact O-N 3.35Å; V313-K317 PolarHBondContact O-N 3.17Å
314E94.9Very high94.3Very high116 Ų116102.9 Ų102.954%0.54252%0.519SS..Hα-helixtrans-61.6-47.1176.2-71.9178.2167.800111.4I310 A316 K317 E318I310-E314 HydrophobicContact CG2-CG 4.46Å; I310-E314 WeakPolarHBondContact O-CG 3.41Å; I310-E314 PolarHBondContact O-N 3.33Å; E314-A316 VanDerWaalsContact C-N 3.27Å; E314-A316 PolarHBondContact O-N 3.03Å; E314-K317 WeakPolarHBondContact O-CA 3.49Å; E314-K317 WeakPolarHBondContact O-CB 3.49Å; E314-K317 PolarHBondContact O-N 3.41Å; E314-E318 PolarHBondContact O-N 3.34Å
315K95.7Very high93.7Very high119 Ų119103.3 Ų103.352%0.51752%0.523SS..Hα-helixtrans-58.1-38174.9-175176.2-175.2174.10112.6P311 K319P311-K315 VanDerWaalsContact O-CB 3.32Å; P311-K315 WeakPolarHBondContact O-CB 3.45Å; P311-K315 PolarHBondContact O-N 3.04Å; K315-K319 WeakPolarHBondContact O-CG 3.37Å; K315-K319 PolarHBondContact O-N 3.03Å
316A95.2Very high92.8Very high58 Ų58104.5 Ų104.548%0.47953%0.528SS..Hα-helixtrans-67.4-39.5175.500000111.8L312 V313 E314 K319 Q320L312-A316 WeakPolarHBondContact O-CB 3.32Å; L312-A316 PolarHBondContact O-N 3.42Å; V313-A316 PolarHBondContact O-N 3.35Å; E314-A316 VanDerWaalsContact C-N 3.27Å; E314-A316 PolarHBondContact O-N 3.03Å; A316-K319 PolarHBondContact O-N 3.44Å; A316-Q320 PolarHBondContact O-N 2.96Å
317K94.3Very high91.9Very high133 Ų133105.3 Ų105.358%0.57853%0.532SS*.Hα-helixtrans-65.3-41.5176.8-167.4176.3-177.4179.80112.2V313 E314 Q320 N321V313-K317 PolarHBondContact O-N 3.17Å; E314-K317 WeakPolarHBondContact O-CA 3.49Å; E314-K317 WeakPolarHBondContact O-CB 3.49Å; E314-K317 PolarHBondContact O-N 3.41Å; K317-Q320 PolarHBondContact O-N 3.4Å; K317-N321 PolarHBondContact O-N 3.04Å
318E94.7Very high90.8Very high136 Ų136103.6 Ų103.664%0.63653%0.533SS*.Hα-helixtrans-59.1-47.1174.3-72.8179.6168.400111.9E314 Q320 N321 A322E314-E318 PolarHBondContact O-N 3.34Å; E318-Q320 VanDerWaalsContact C-N 3.31Å; E318-Q320 PolarHBondContact O-N 3.24Å; E318-N321 PolarHBondContact O-N 3.44Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.4Å
319K94.2Very high88.6Confident146 Ų146110.3 Ų110.364%0.63556%0.56SS**Hα-helixtrans-59-42.2175.3-74.2-178.9177.2-173.30112.2K315 A316 A322 K323K315-K319 WeakPolarHBondContact O-CG 3.37Å; K315-K319 PolarHBondContact O-N 3.03Å; A316-K319 PolarHBondContact O-N 3.44Å; K319-A322 PolarHBondContact O-N 3.24Å; K319-K323 WeakPolarHBondContact O-CB 3.49Å; K319-K323 PolarHBondContact O-N 3.24Å
320Q91.9Very high88.3Confident110 Ų110113.6 Ų113.651%0.51458%0.576SS.*Hα-helixtrans-63.2-43.3177.7-170.9-176.63000111.7A316 K317 E318 K323 K324A316-Q320 PolarHBondContact O-N 2.96Å; K317-Q320 PolarHBondContact O-N 3.4Å; E318-Q320 VanDerWaalsContact C-N 3.31Å; E318-Q320 PolarHBondContact O-N 3.24Å; Q320-K323 PolarHBondContact O-N 2.91Å; Q320-K324 PolarHBondContact O-N 2.97Å
321N91.8Very high87.9Confident88 Ų88113.6 Ų113.647%0.47158%0.577SS.*Hα-helixtrans-65.1-42177.8-72.4-14.3000112K317 E318 K323 K324 A325K317-N321 PolarHBondContact O-N 3.04Å; E318-N321 PolarHBondContact O-N 3.44Å; N321-K323 VanDerWaalsContact C-N 3.3Å; N321-K323 PolarHBondContact O-N 3.04Å; N321-K324 PolarHBondContact O-N 3.4Å; N321-A325 PolarHBondContact O-N 3.24Å
322A90.4Very high87.4Confident58 Ų58116.3 Ų116.348%0.47959%0.585SS.*Hα-helixtrans-60.6-41.1175.500000111.8E318 K319 A325 Q326E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.4Å; K319-A322 PolarHBondContact O-N 3.24Å; A322-A325 PolarHBondContact O-N 3.19Å; A322-Q326 PolarHBondContact O-N 3.17Å
323K88.1Confident86.9Confident132 Ų132118.2 Ų118.257%0.57459%0.593SS**Hα-helixtrans-65.1-45177.3-160.2178179.6-174.50112K319 Q320 N321 A325 Q326 E327K319-K323 WeakPolarHBondContact O-CB 3.49Å; K319-K323 PolarHBondContact O-N 3.24Å; Q320-K323 PolarHBondContact O-N 2.91Å; N321-K323 VanDerWaalsContact C-N 3.3Å; N321-K323 PolarHBondContact O-N 3.04Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 2.98Å; K323-Q326 PolarHBondContact O-N 2.97Å; K323-E327 PolarHBondContact O-N 3.32Å; K323-E327 VanDerWaalsContact O-N 3.17Å
324K85.7Confident86.3Confident115 Ų115120.3 Ų120.350%0.560%0.599SS.*Hα-helixtrans-59.5-42.9175.3-76-176.5175.7-177.70112.5Q320 N321 Q326 E327 T328Q320-K324 PolarHBondContact O-N 2.97Å; N321-K324 PolarHBondContact O-N 3.4Å; K324-Q326 PolarHBondContact O-N 2.76Å; K324-E327 PolarHBondContact O-N 3.23Å; K324-T328 PolarHBondContact O-N 3.02Å; K324-T328 PolarHBondContact O-OG1 2.92Å
325A83.7Confident85.8Confident60 Ų60120.6 Ų120.650%0.49660%0.602SS.*Hα-helixtrans-65.6-26179.100000113.4N321 A322 K323N321-A325 PolarHBondContact O-N 3.24Å; A322-A325 PolarHBondContact O-N 3.19Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 2.98Å
326Q79.3Confident85.1Confident147 Ų147120.7 Ų120.769%0.68761%0.608SS**Hα-helixtrans-76.7-35.8172.6-74.6179-11.400112.5A322 K323 K324 T328A322-Q326 PolarHBondContact O-N 3.17Å; K323-Q326 PolarHBondContact O-N 2.97Å; K324-Q326 PolarHBondContact O-N 2.76Å; Q326-T328 VanDerWaalsContact C-N 3.26Å; Q326-T328 PolarHBondContact O-N 3.43Å
327E77.5Confident84.3Confident141 Ų141125.5 Ų125.566%0.65962%0.618SS**Hα-helixtrans-72.8-17178.2-71.4170.1-178.200113.3K323 K324K323-E327 PolarHBondContact O-N 3.32Å; K323-E327 VanDerWaalsContact O-N 3.17Å; K324-E327 PolarHBondContact O-N 3.23Å
328T71.8Confident83.5Confident123 Ų123124.9 Ų124.976%0.75562%0.622SS**THydrogen-bonded Turntrans-96.83-179.2-280000113.1K324 Q326K324-T328 PolarHBondContact O-N 3.02Å; K324-T328 PolarHBondContact O-OG1 2.92Å; Q326-T328 VanDerWaalsContact C-N 3.26Å; Q326-T328 PolarHBondContact O-N 3.43Å
329K52.4Low82.4Confident243 Ų243123.9 Ų123.9100%1.05762%0.62SS**  trans-1050175.6-82-172175.7-175.80110.9

Retrieved 329 of 329 residues in 295.6 ms (Link to these results)

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