G4VB90_SCHMA Loading...

Putative ubiquitin-conjugating enzyme E2r

AlphaFold DB , UniProt , Accession G4VB90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M35.3Very low71Confident217 Ų217101.2 Ų101.2100%1.06956%0.564SS**  0134.80-63.2-167.8-16800107.4S3 A264M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.12Å; M1-A264 HydrophobicContact CE-CB 3.78Å; M1-A264 HydrophobicContact SD-CB 4.3Å
2A39.5Very low73.1Confident99 Ų99105.3 Ų105.382%0.81857%0.571SS**  trans-65.3112.817300000107.5R4A2-R4 PolarHBondContact O-N 3.48Å
3S51.8Low74.9Confident110 Ų11099.1 Ų99.177%0.76954%0.543SS*.  trans-54.2109164.5170.30000106M1 K5M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.12Å; S3-K5 PolarHBondContact O-N 3.26Å
4R61Low76.4Confident206 Ų20692 Ų9278%0.77750%0.504SS*.PPolyproline II helixtrans-60.2123.5172.9-103.4179163.7172.1-5.7105A2 D67A2-R4 PolarHBondContact O-N 3.48Å; R4-D67 WeakPolarHBondContact CB-OD2 3.49Å
5K65.4Low77.7Confident190 Ų19093.3 Ų93.383%0.82651%0.505SS*.PPolyproline II helixtrans-61.8130.7175.5-73.4-175177-176.80107.1S3 N7S3-K5 PolarHBondContact O-N 3.26Å; K5-N7 PolarHBondContact O-N 3.42Å
6P69.6Low78.9Confident60 Ų6096.2 Ų96.239%0.3951%0.512SS..PPolyproline II helixtrans-55.6140.4177.921.5-31.9000109.4A8 V11 F40P6-A8 PolarHBondContact O-N 3.19Å; P6-V11 HydrophobicContact CB-CG2 4.1Å; P6-V11 HydrophobicContact CG-CG2 4.33Å; P6-F40 HydrophobicContact CB-CD2 4.32Å; P6-F40 HydrophobicContact CB-CE1 4.33Å; P6-F40 HydrophobicContact CB-CE2 3.3Å; P6-F40 HydrophobicContact CB-CZ 3.32Å; P6-F40 HydrophobicContact CG-CE2 4.04Å; P6-F40 HydrophobicContact CG-CZ 4.47Å
7N83.7Confident80Confident72 Ų7292.2 Ų92.239%0.38549%0.489SS..PPolyproline II helixtrans-62.3128.9178.7-172.8-19.7000108.7K5 S9 A10 V11 D67K5-N7 PolarHBondContact O-N 3.42Å; N7-S9 PolarHBondContact ND2-OG 2.95Å; N7-S9 VanDerWaalsContact ND2-OG 3.14Å; N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.08Å; N7-S9 PolarHBondContact OD1-N 3.08Å; N7-S9 VanDerWaalsContact OD1-N 3.13Å; N7-S9 PolarHBondContact OD1-OG 3.3Å; N7-A10 HydrophobicContact CB-CB 4.14Å; N7-A10 WeakPolarHBondContact O-CB 3.28Å; N7-A10 PolarHBondContact O-N 3.28Å; N7-V11 PolarHBondContact O-N 2.68Å; N7-V11 VanDerWaalsContact O-N 3.16Å; N7-D67 WeakPolarHBondContact CB-O 3.32Å; N7-D67 PolarHBondContact N-O 3.27Å
8A90.8Very high80.9Confident70 Ų7088.6 Ų88.658%0.57947%0.47SS*.Hα-helixtrans-58.9-25.2-179.300000112.6P6 K12P6-A8 PolarHBondContact O-N 3.19Å; A8-K12 WeakPolarHBondContact O-CG 3.46Å; A8-K12 PolarHBondContact O-N 3.46Å
9S93.3Very high81.6Confident50 Ų5090.2 Ų90.235%0.3547%0.472SS..Hα-helixtrans-70.8-42172.258.10000112.6N7 V11 K12 A13N7-S9 PolarHBondContact ND2-OG 2.95Å; N7-S9 VanDerWaalsContact ND2-OG 3.14Å; N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.08Å; N7-S9 PolarHBondContact OD1-N 3.08Å; N7-S9 VanDerWaalsContact OD1-N 3.13Å; N7-S9 PolarHBondContact OD1-OG 3.3Å; S9-V11 PolarHBondContact O-N 3.32Å; S9-K12 PolarHBondContact O-N 3.34Å; S9-A13 PolarHBondContact O-N 2.89Å
10A95.7Very high82.3Confident0 Ų088.6 Ų88.60%046%0.464CS..Hα-helixtrans-61-45.6176.800000111.6N7 K12 A13 L14 F40 D67 Y69N7-A10 HydrophobicContact CB-CB 4.14Å; N7-A10 WeakPolarHBondContact O-CB 3.28Å; N7-A10 PolarHBondContact O-N 3.28Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.43Å; A10-A13 PolarHBondContact O-N 2.97Å; A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.1Å; A10-F40 HydrophobicContact CB-CE1 3.9Å; A10-F40 HydrophobicContact CB-CZ 3.94Å; A10-D67 WeakPolarHBondContact CB-O 3.35Å; A10-Y69 WeakPolarHBondContact CA-O 3.39Å; A10-Y69 WeakPolarHBondContact CB-O 3.36Å
11V95.4Very high82.9Confident39 Ų3984.8 Ų84.824%0.23644%0.444CS..Hα-helixtrans-57.1-46.3175.9176.70000111.3P6 N7 S9 L14 Q15 L39 F40P6-V11 HydrophobicContact CB-CG2 4.1Å; P6-V11 HydrophobicContact CG-CG2 4.33Å; N7-V11 PolarHBondContact O-N 2.68Å; N7-V11 VanDerWaalsContact O-N 3.16Å; S9-V11 PolarHBondContact O-N 3.32Å; V11-L14 PolarHBondContact O-N 3.46Å; V11-Q15 HydrophobicContact CG1-CG 4.41Å; V11-Q15 WeakPolarHBondContact O-CB 3.05Å; V11-Q15 VanDerWaalsContact O-CG 3.28Å; V11-Q15 WeakPolarHBondContact O-CG 3.3Å; V11-Q15 PolarHBondContact O-N 2.93Å; V11-L39 HydrophobicContact CG1-CD2 3.99Å; V11-F40 HydrophobicContact CG2-CE2 3.92Å; V11-F40 HydrophobicContact CG2-CZ 4Å
12K95.4Very high85.6Confident150 Ų15079.2 Ų79.265%0.65242%0.419SS*.Hα-helixtrans-64.9-40.3178.9-73.6178.9-178.8-177.20112.5A8 S9 A10 K16A8-K12 WeakPolarHBondContact O-CG 3.46Å; A8-K12 PolarHBondContact O-N 3.46Å; S9-K12 PolarHBondContact O-N 3.34Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.43Å; K12-K16 WeakPolarHBondContact O-CB 3.18Å; K12-K16 PolarHBondContact O-N 3.41Å; K12-K16 VanDerWaalsContact O-N 3.09Å
13A96.4Very high88.2Confident25 Ų2579 Ų7921%0.20740%0.401CS..Hα-helixtrans-62.3-50.7177.300000110.9S9 A10 Q15 K16 E17 Y69S9-A13 PolarHBondContact O-N 2.89Å; A10-A13 PolarHBondContact O-N 2.97Å; A13-Q15 PolarHBondContact O-N 3.23Å; A13-K16 WeakPolarHBondContact O-CB 3.45Å; A13-K16 PolarHBondContact O-N 3.43Å; A13-E17 WeakPolarHBondContact O-CG 3.44Å; A13-E17 PolarHBondContact O-N 2.94Å; A13-Y69 HydrophobicContact CB-CD1 4.15Å; A13-Y69 HydrophobicContact CB-CE1 4.16Å
14L97.2Very high90.1Very high0 Ų078.7 Ų78.70%039%0.386CS..Hα-helixtrans-62.3-42.4178.9-67.4175.2000112.6A10 V11 K16 E17 L18 L39 F40 W42 F65 Y69A10-L14 WeakPolarHBondContact O-CG 3.36Å; A10-L14 PolarHBondContact O-N 3.1Å; V11-L14 PolarHBondContact O-N 3.46Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.81Å; L14-E17 PolarHBondContact O-N 2.6Å; L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 3.44Å; L14-L39 HydrophobicContact CB-CD2 3.79Å; L14-L39 HydrophobicContact CB-CG 3.96Å; L14-L39 HydrophobicContact CD1-CG 4.38Å; L14-F40 HydrophobicContact CD1-CD1 3.74Å; L14-F40 HydrophobicContact CD1-CD2 4.44Å; L14-F40 HydrophobicContact CD1-CE1 3.73Å; L14-F40 HydrophobicContact CD1-CE2 4.42Å; L14-F40 HydrophobicContact CD1-CG 4.1Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; L14-W42 HydrophobicContact CB-CZ2 4.1Å; L14-W42 HydrophobicContact CD2-CZ2 4.12Å; L14-W42 WeakPolarHBondContact O-CZ2 3.39Å; L14-F65 HydrophobicContact CD1-CB 4.05Å; L14-F65 HydrophobicContact CD1-CD2 4.49Å; L14-F65 HydrophobicContact CD1-CG 4.16Å; L14-F65 HydrophobicContact CD2-CB 4.28Å; L14-F65 HydrophobicContact CD2-CD1 3.38Å; L14-F65 HydrophobicContact CD2-CD2 4.04Å; L14-F65 HydrophobicContact CD2-CE1 3.58Å; L14-F65 HydrophobicContact CD2-CE2 4.23Å; L14-F65 HydrophobicContact CD2-CG 3.63Å; L14-F65 HydrophobicContact CD2-CZ 4.01Å; L14-Y69 HydrophobicContact CD2-CD1 3.55Å; L14-Y69 HydrophobicContact CD2-CE1 3.6Å; L14-Y69 HydrophobicContact CD2-CG 4.12Å; L14-Y69 HydrophobicContact CG-CD1 3.84Å; L14-Y69 HydrophobicContact CG-CE1 4.23Å
15Q95.8Very high91.6Very high111 Ų11170.7 Ų70.752%0.51936%0.361SS..Hα-helixtrans-61.2-41.3175.8-76.5178.9-26.500112.3V11 A13 K19 L39V11-Q15 HydrophobicContact CG1-CG 4.41Å; V11-Q15 WeakPolarHBondContact O-CB 3.05Å; V11-Q15 VanDerWaalsContact O-CG 3.28Å; V11-Q15 WeakPolarHBondContact O-CG 3.3Å; V11-Q15 PolarHBondContact O-N 2.93Å; A13-Q15 PolarHBondContact O-N 3.23Å; Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 PolarHBondContact O-N 2.95Å; Q15-K19 VanDerWaalsContact O-N 3.11Å; Q15-L39 HydrophobicContact CG-CD2 3.56Å
16K96.3Very high92.9Very high140 Ų14062 Ų6261%0.60932%0.324SS*.Hα-helixtrans-64.3-50.7177-176.8-171.6171.3-165.20110.5K12 A13 L14 L18 K19 D20K12-K16 WeakPolarHBondContact O-CB 3.18Å; K12-K16 PolarHBondContact O-N 3.41Å; K12-K16 VanDerWaalsContact O-N 3.09Å; A13-K16 WeakPolarHBondContact O-CB 3.45Å; A13-K16 PolarHBondContact O-N 3.43Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 2.81Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 3.27Å; K16-K19 WeakPolarHBondContact O-CB 3.29Å; K16-K19 PolarHBondContact O-N 3.3Å; K16-D20 WeakPolarHBondContact O-CB 3.39Å; K16-D20 PolarHBondContact O-N 3.36Å
17E97.1Very high93.9Very high28 Ų2863.1 Ų63.113%0.13132%0.324CS..Hα-helixtrans-63.4-39-179.3-71.9-172.6-132.100112.9A13 L14 K19 D20 L21 W42 Y69 N120 V121A13-E17 WeakPolarHBondContact O-CG 3.44Å; A13-E17 PolarHBondContact O-N 2.94Å; L14-E17 PolarHBondContact O-N 2.6Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.31Å; E17-D20 PolarHBondContact O-N 2.93Å; E17-L21 WeakPolarHBondContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.24Å; E17-L21 PolarHBondContact O-N 2.94Å; E17-W42 HydrophobicContact CB-CH2 4.17Å; E17-Y69 VanDerWaalsContact OE1-CE1 3.22Å; E17-Y69 WeakPolarHBondContact OE1-CE1 3.49Å; E17-Y69 PolarHBondContact OE1-OH 2.78Å; E17-Y69 PolarHBondContact OE2-OH 3.09Å; E17-N120 WeakPolarHBondContact OE2-CB 3.45Å; E17-V121 WeakPolarHBondContact OE2-CB 3.43Å; E17-V121 WeakPolarHBondContact OE2-CG2 3.42Å; E17-V121 PolarHBondContact OE2-N 2.93Å
18L96Very high94.2Very high28 Ų2859.7 Ų59.715%0.14731%0.306CS..Hα-helixtrans-62.5-42.9175.6-176.664.6000111.2L14 K16 N22 V31 V33 L39 W42L14-L18 VanDerWaalsContact O-CB 3.28Å; L14-L18 WeakPolarHBondContact O-CB 3.38Å; L14-L18 PolarHBondContact O-N 3.44Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 3.27Å; L18-N22 WeakPolarHBondContact O-CB 3.43Å; L18-N22 PolarHBondContact O-N 3.42Å; L18-N22 PolarHBondContact O-ND2 3.47Å; L18-N22 VanDerWaalsContact O-ND2 3.13Å; L18-V31 HydrophobicContact CD1-CG1 4.26Å; L18-V33 HydrophobicContact CD1-CG2 4.29Å; L18-V33 HydrophobicContact CD2-CG2 3.43Å; L18-V33 VanDerWaalsContact CD2-CG2 3.43Å; L18-L39 HydrophobicContact CD2-CD1 4.12Å; L18-W42 HydrophobicContact CB-CH2 3.65Å; L18-W42 HydrophobicContact CB-CZ2 3.7Å; L18-W42 HydrophobicContact CB-CZ3 4.48Å; L18-W42 HydrophobicContact CD1-CD2 4.43Å; L18-W42 HydrophobicContact CD1-CE3 4.42Å; L18-W42 HydrophobicContact CD1-CH2 4.16Å; L18-W42 HydrophobicContact CD1-CZ2 4.19Å; L18-W42 HydrophobicContact CD1-CZ3 4.27Å; L18-W42 HydrophobicContact CG-CH2 4.49Å; L18-W42 HydrophobicContact CG-CZ2 4.39Å
19K95.6Very high94.4Very high118 Ų11856.7 Ų56.751%0.51328%0.279SS..Hα-helixtrans-62.3-48.2175.3-176.8-174.7170.3-170.50110.6Q15 K16 E17 L21 N22 E23Q15-K19 WeakPolarHBondContact O-CB 3.42Å; Q15-K19 PolarHBondContact O-N 2.95Å; Q15-K19 VanDerWaalsContact O-N 3.11Å; K16-K19 WeakPolarHBondContact O-CB 3.29Å; K16-K19 PolarHBondContact O-N 3.3Å; E17-K19 VanDerWaalsContact C-N 3.33Å; E17-K19 PolarHBondContact O-N 3.31Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 3.19Å; K19-N22 PolarHBondContact O-N 2.94Å; K19-N22 VanDerWaalsContact O-N 3.16Å; K19-E23 WeakPolarHBondContact CE-OE1 3.28Å; K19-E23 HydrophobicContact CG-CG 4.47Å; K19-E23 IonicContact NZ-OE1 2.88Å; K19-E23 PolarHBondContact O-N 3.23Å
20D95.5Very high94.4Very high58 Ų5859.1 Ų59.131%0.3128%0.284SS..Hα-helixtrans-63.5-36.6-178.4-67.1-10.8000111.7K16 E17 F24 R122K16-D20 WeakPolarHBondContact O-CB 3.39Å; K16-D20 PolarHBondContact O-N 3.36Å; E17-D20 PolarHBondContact O-N 2.93Å; D20-F24 PolarHBondContact O-N 2.82Å; D20-R122 PolarHBondContact O-NH2 3.09Å
21L95.2Very high94.4Very high9 Ų959.8 Ų59.85%0.04729%0.287CS..Hα-helixtrans-71.6-31.9174.4-76.5166.8000113.1E17 K19 F24 P25 V26 V31 W42 V121 R122 L125E17-L21 WeakPolarHBondContact O-CB 3.3Å; E17-L21 WeakPolarHBondContact O-CG 3.24Å; E17-L21 PolarHBondContact O-N 2.94Å; K19-L21 VanDerWaalsContact C-N 3.32Å; K19-L21 PolarHBondContact O-N 3.19Å; L21-F24 CarbonylContact O-C 3.37Å; L21-P25 WeakPolarHBondContact O-CA 3.42Å; L21-P25 VanDerWaalsContact O-N 3.13Å; L21-V26 HydrophobicContact CD2-CG2 3.86Å; L21-V31 HydrophobicContact CD1-CG1 4.46Å; L21-V31 HydrophobicContact CD1-CG2 4.43Å; L21-W42 HydrophobicContact CD1-CZ3 3.78Å; L21-V121 HydrophobicContact CD1-CB 3.91Å; L21-V121 HydrophobicContact CD1-CG1 3.62Å; L21-R122 HydrophobicContact CD2-CB 4.21Å; L21-L125 HydrophobicContact CD2-CD1 4.34Å
22N92.3Very high94.3Very high100 Ų10063.1 Ų63.154%0.53530%0.302SS..Hα-helixtrans-77-35.6175.8-76.4-34.3000112.5L18 K19L18-N22 WeakPolarHBondContact O-CB 3.43Å; L18-N22 PolarHBondContact O-N 3.42Å; L18-N22 PolarHBondContact O-ND2 3.47Å; L18-N22 VanDerWaalsContact O-ND2 3.13Å; K19-N22 PolarHBondContact O-N 2.94Å; K19-N22 VanDerWaalsContact O-N 3.16Å
23E92.9Very high94.3Very high94 Ų9458.1 Ų58.144%0.43928%0.284SS..Hα-helixtrans-73.5-35.9175.1-71.9-175.3177.100111.9K19K19-E23 WeakPolarHBondContact CE-OE1 3.28Å; K19-E23 HydrophobicContact CG-CG 4.47Å; K19-E23 IonicContact NZ-OE1 2.88Å; K19-E23 PolarHBondContact O-N 3.23Å
24F92.8Very high94.1Very high104 Ų10458.5 Ų58.546%0.45629%0.285SS..SBendtrans-131.376.8179.9-54.2-80.4000111D20 L21 R122 P197D20-F24 PolarHBondContact O-N 2.82Å; L21-F24 CarbonylContact O-C 3.37Å; F24-R122 PolarHBondContact O-NH1 2.89Å; F24-R122 PolarHBondContact O-NH2 2.9Å; F24-P197 HydrophobicContact CD1-CB 4.1Å; F24-P197 HydrophobicContact CD1-CG 4.2Å; F24-P197 HydrophobicContact CE1-CB 4.04Å; F24-P197 HydrophobicContact CE1-CG 4.17Å
25P91.9Very high93.8Very high38 Ų3863.7 Ų63.725%0.24731%0.309CS..PPolyproline II helixtrans-59.2148.9-177.5-20.832000112.8L21 S194 G195L21-P25 WeakPolarHBondContact O-CA 3.42Å; L21-P25 VanDerWaalsContact O-N 3.13Å; P25-S194 WeakPolarHBondContact CB-O 3.24Å; P25-G195 WeakPolarHBondContact O-CA 3.45Å
26V92.4Very high93.3Very high8 Ų868.2 Ų68.25%0.04833%0.331CS..PPolyproline II helixtrans-80.5131.1169.7-179.70000107.7L21 G28 F29 R122 L125 L126 I129L21-V26 HydrophobicContact CD2-CG2 3.86Å; V26-G28 PolarHBondContact O-N 3.45Å; V26-F29 HydrophobicContact CB-CB 4.23Å; V26-F29 HydrophobicContact CB-CD2 4.32Å; V26-F29 HydrophobicContact CB-CG 4.49Å; V26-F29 HydrophobicContact CG1-CD2 3.9Å; V26-F29 HydrophobicContact CG1-CG 4.48Å; V26-F29 PolarHBondContact O-N 3.39Å; V26-R122 HydrophobicContact CG2-CG 3.88Å; V26-L125 HydrophobicContact CB-CD1 4.46Å; V26-L125 HydrophobicContact CG2-CD1 4.26Å; V26-L126 HydrophobicContact CG1-CD2 3.83Å; V26-L126 HydrophobicContact CG1-CG 4.45Å; V26-I129 HydrophobicContact CG1-CD1 4.31Å
27E90.4Very high92.9Very high84 Ų8470.8 Ų70.839%0.39335%0.345SS..THydrogen-bonded Turntrans-54.7128179.7-63.9177.1-179.900110.7F29 Y191 C192E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 WeakPolarHBondContact O-CD2 3.41Å; E27-Y191 HydrophobicContact CB-CD1 4.29Å; E27-Y191 HydrophobicContact CB-CE1 4.05Å; E27-C192 PolarHBondContact OE2-SG 2.88Å; E27-C192 VanDerWaalsContact OE2-SG 3.37Å
28G90.7Very high92.7Very high0 Ų072.2 Ų72.20%035%0.353CS..THydrogen-bonded Turntrans81.33.9-176.900000115.5V26 I46 F47 S194V26-G28 PolarHBondContact O-N 3.45Å; G28-I46 CarbonylContact O-C 3.4Å; G28-I46 WeakPolarHBondContact O-CA 3.29Å; G28-F47 WeakPolarHBondContact O-CD2 3.42Å; G28-F47 PolarHBondContact O-N 3.47Å; G28-S194 PolarHBondContact N-OG 3.5Å
29F93.9Very high92.6Very high6 Ų672.3 Ų72.33%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-122.3141.1178.2-68.8-105000111.7V26 E27 V44 A45 I46 L125 I129V26-F29 HydrophobicContact CB-CB 4.23Å; V26-F29 HydrophobicContact CB-CD2 4.32Å; V26-F29 HydrophobicContact CB-CG 4.49Å; V26-F29 HydrophobicContact CG1-CD2 3.9Å; V26-F29 HydrophobicContact CG1-CG 4.48Å; V26-F29 PolarHBondContact O-N 3.39Å; E27-F29 VanDerWaalsContact C-N 3.33Å; E27-F29 WeakPolarHBondContact O-CD2 3.41Å; F29-V44 HydrophobicContact CD1-CG1 3.59Å; F29-V44 HydrophobicContact CE1-CG1 4.22Å; F29-A45 CarbonylContact C-O 3.58Å; F29-A45 WeakPolarHBondContact CA-O 3.29Å; F29-I46 HydrophobicContact CD1-CG1 3.9Å; F29-I46 HydrophobicContact CE1-CB 4.26Å; F29-I46 HydrophobicContact CE1-CD1 3.8Å; F29-I46 HydrophobicContact CE1-CG1 3.56Å; F29-I46 HydrophobicContact CE1-CG2 3.93Å; F29-I46 HydrophobicContact CE2-CG2 4.22Å; F29-I46 HydrophobicContact CZ-CB 4.5Å; F29-I46 HydrophobicContact CZ-CD1 4.44Å; F29-I46 HydrophobicContact CZ-CG1 4.24Å; F29-I46 HydrophobicContact CZ-CG2 3.7Å; F29-L125 HydrophobicContact CB-CD1 4.07Å; F29-L125 HydrophobicContact CD1-CB 4.02Å; F29-L125 HydrophobicContact CD1-CD1 3.83Å; F29-L125 HydrophobicContact CD1-CD2 3.63Å; F29-L125 HydrophobicContact CD1-CG 4Å; F29-L125 HydrophobicContact CE1-CB 4.03Å; F29-L125 HydrophobicContact CE1-CD2 3.76Å; F29-L125 HydrophobicContact CE1-CG 4.3Å; F29-L125 HydrophobicContact CG-CB 4.33Å; F29-L125 HydrophobicContact CG-CD1 4Å; F29-L125 HydrophobicContact CZ-CB 4.43Å; F29-I129 HydrophobicContact CD2-CD1 3.96Å; F29-I129 HydrophobicContact CD2-CG1 4.3Å; F29-I129 HydrophobicContact CE2-CD1 3.22Å; F29-I129 HydrophobicContact CE2-CG1 3.15Å; F29-I129 HydrophobicContact CZ-CD1 3.99Å; F29-I129 HydrophobicContact CZ-CG1 3.41Å; F29-I129 VanDerWaalsContact CZ-CG1 3.41Å
30K93.2Very high92.7Very high102 Ų10267.7 Ų67.744%0.44333%0.334SS..EExtended strand (participates in β ladder)trans-124.1129161.9-71.7176.2-177.1-179.80108.5V44 A45 F47K30-V44 CarbonylContact O-C 3.56Å; K30-V44 WeakPolarHBondContact O-CA 3.39Å; K30-A45 HydrophobicContact CB-CB 4.15Å; K30-A45 PolarHBondContact N-O 3.24Å; K30-A45 PolarHBondContact O-N 3.47Å; K30-F47 HydrophobicContact CD-CE2 3.94Å; K30-F47 HydrophobicContact CD-CZ 4.08Å; K30-F47 HydrophobicContact CG-CE2 4.03Å
31V95.3Very high92.7Very high13 Ų1365.6 Ų65.68%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-117.1130.1-175.7178.70000108.7L18 L21 W42 V44 L125L18-V31 HydrophobicContact CD1-CG1 4.26Å; L21-V31 HydrophobicContact CD1-CG1 4.46Å; L21-V31 HydrophobicContact CD1-CG2 4.43Å; V31-W42 HydrophobicContact CG1-CB 4.43Å; V31-W42 HydrophobicContact CG1-CD2 4.09Å; V31-W42 HydrophobicContact CG1-CE3 3.32Å; V31-W42 HydrophobicContact CG1-CZ3 3.9Å; V31-V44 HydrophobicContact CG2-CG1 4.43Å; V31-V44 HydrophobicContact CG2-CG2 4.48Å; V31-L125 HydrophobicContact CG2-CD1 3.86Å
32M94.5Very high92.9Very high109 Ų10965.2 Ų65.254%0.53732%0.321SS..EExtended strand (participates in β ladder)trans-139.3147.4179.9-63.9177.7-74.800109.4S34 W42 D43M32-S34 PolarHBondContact O-N 3.01Å; M32-W42 CarbonylContact O-C 3.47Å; M32-W42 VanDerWaalsContact O-CA 3.27Å; M32-W42 WeakPolarHBondContact O-CA 3.43Å; M32-D43 PolarHBondContact N-O 3.45Å; M32-D43 PolarHBondContact O-N 3.4Å
33V95.7Very high93.1Very high45 Ų4562.4 Ų62.427%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-71.7131.4169.5-173.90000107.6L18 E35 N38 L39L18-V33 HydrophobicContact CD1-CG2 4.29Å; L18-V33 HydrophobicContact CD2-CG2 3.43Å; L18-V33 VanDerWaalsContact CD2-CG2 3.43Å; V33-E35 WeakPolarHBondContact CG1-O 3.42Å; V33-N38 VanDerWaalsContact CG1-O 3.31Å; V33-N38 WeakPolarHBondContact CG1-O 3.3Å; V33-L39 HydrophobicContact CG2-CD1 4.1Å
34S92.6Very high93.3Very high34 Ų3458 Ų5824%0.23829%0.285CS..EExtended strand (participates in β ladder)trans-67.3-41.1-174.8-164.80000112M32 V41 D43 R62M32-S34 PolarHBondContact O-N 3.01Å; S34-V41 WeakPolarHBondContact CB-O 3.43Å; S34-V41 PolarHBondContact N-O 3.09Å; S34-D43 WeakPolarHBondContact CA-OD2 3.37Å; S34-D43 VanDerWaalsContact CB-OD2 3.24Å; S34-D43 WeakPolarHBondContact CB-OD2 3.44Å; S34-D43 VanDerWaalsContact OG-CG 3.31Å; S34-D43 PolarHBondContact OG-OD1 2.9Å; S34-D43 PolarHBondContact OG-OD2 3.23Å; S34-R62 PolarHBondContact OG-NH2 3.45Å
35E90.3Very high93.4Very high109 Ų10953.3 Ų53.351%0.50927%0.266SS..EExtended strand (participates in β ladder)trans-131.8133.2178.1-61.6177.4-179.900109.7V33 E37 N38V33-E35 WeakPolarHBondContact CG1-O 3.42Å; E35-E37 PolarHBondContact O-N 3.41Å; E35-N38 HydrophobicContact CB-CB 4.3Å; E35-N38 PolarHBondContact O-N 2.82Å
36E85.1Confident93.6Very high206 Ų20651.7 Ų51.796%0.96326%0.255SS*.THydrogen-bonded Turntrans-57.3-26.4-176.7-63.1-175.6174.600113.5
37E88.2Confident93.7Very high194 Ų19451.6 Ų51.691%0.90725%0.254SS*.THydrogen-bonded Turntrans-87.1-16.6-179.4-60.1-173.7176.700113.5E35E35-E37 PolarHBondContact O-N 3.41Å
38N91.9Very high93.8Very high57 Ų5747.7 Ų47.731%0.30524%0.236SC..EExtended strand (participates in β ladder)trans-123.989.9-172.5-171.33.7000112.7V33 E35 F40 V41V33-N38 VanDerWaalsContact CG1-O 3.31Å; V33-N38 WeakPolarHBondContact CG1-O 3.3Å; E35-N38 HydrophobicContact CB-CB 4.3Å; E35-N38 PolarHBondContact O-N 2.82Å; N38-F40 PolarHBondContact O-N 2.95Å; N38-F40 VanDerWaalsContact O-N 3.12Å; N38-F40 WeakPolarHBondContact OD1-CB 3.5Å; N38-F40 PolarHBondContact OD1-N 3.31Å; N38-F40 VanDerWaalsContact OD1-N 3.07Å; N38-V41 WeakPolarHBondContact ND2-CG2 3.48Å; N38-V41 PolarHBondContact O-N 3.22Å
39L94.7Very high93.7Very high31 Ų3148.5 Ų48.516%0.16224%0.242CC..EExtended strand (participates in β ladder)trans-63.6-14.5176-173.365.6000113.9V11 L14 Q15 L18 V33 V41 W42V11-L39 HydrophobicContact CG1-CD2 3.99Å; L14-L39 HydrophobicContact CB-CD2 3.79Å; L14-L39 HydrophobicContact CB-CG 3.96Å; L14-L39 HydrophobicContact CD1-CG 4.38Å; Q15-L39 HydrophobicContact CG-CD2 3.56Å; L18-L39 HydrophobicContact CD2-CD1 4.12Å; V33-L39 HydrophobicContact CG2-CD1 4.1Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.36Å; L39-W42 VanDerWaalsContact O-CD1 3.31Å; L39-W42 PolarHBondContact O-NE1 3.05Å
40F96.2Very high93.5Very high21 Ų2149.1 Ų49.19%0.09225%0.246CC..EExtended strand (participates in β ladder)trans-88.65.7-175.9-69.9-100.8000113.3P6 A10 V11 L14 N38 F65 P66P6-F40 HydrophobicContact CB-CD2 4.32Å; P6-F40 HydrophobicContact CB-CE1 4.33Å; P6-F40 HydrophobicContact CB-CE2 3.3Å; P6-F40 HydrophobicContact CB-CZ 3.32Å; P6-F40 HydrophobicContact CG-CE2 4.04Å; P6-F40 HydrophobicContact CG-CZ 4.47Å; A10-F40 HydrophobicContact CB-CE1 3.9Å; A10-F40 HydrophobicContact CB-CZ 3.94Å; V11-F40 HydrophobicContact CG2-CE2 3.92Å; V11-F40 HydrophobicContact CG2-CZ 4Å; L14-F40 HydrophobicContact CD1-CD1 3.74Å; L14-F40 HydrophobicContact CD1-CD2 4.44Å; L14-F40 HydrophobicContact CD1-CE1 3.73Å; L14-F40 HydrophobicContact CD1-CE2 4.42Å; L14-F40 HydrophobicContact CD1-CG 4.1Å; L14-F40 HydrophobicContact CD1-CZ 4.07Å; N38-F40 PolarHBondContact O-N 2.95Å; N38-F40 VanDerWaalsContact O-N 3.12Å; N38-F40 WeakPolarHBondContact OD1-CB 3.5Å; N38-F40 PolarHBondContact OD1-N 3.31Å; N38-F40 VanDerWaalsContact OD1-N 3.07Å; F40-F65 HydrophobicContact CB-CB 4.29Å; F40-F65 HydrophobicContact CD1-CB 3.85Å; F40-F65 HydrophobicContact CG-CB 4.49Å; F40-F65 WeakPolarHBondContact O-CD2 3.49Å; F40-F65 PolarHBondContact O-N 2.94Å; F40-P66 WeakPolarHBondContact CE1-O 3.36Å
41V97.3Very high93.2Very high14 Ų1452 Ų529%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-132.5115.6176.4-177.40000110.3S34 N38 L39 R62 L63 C260S34-V41 WeakPolarHBondContact CB-O 3.43Å; S34-V41 PolarHBondContact N-O 3.09Å; N38-V41 WeakPolarHBondContact ND2-CG2 3.48Å; N38-V41 PolarHBondContact O-N 3.22Å; L39-V41 VanDerWaalsContact C-N 3.31Å; L39-V41 PolarHBondContact O-N 3.36Å; V41-R62 HydrophobicContact CG1-CG 3.8Å; V41-L63 WeakPolarHBondContact CA-O 3.34Å; V41-C260 VanDerWaalsContact CG1-SG 3.57Å; V41-C260 HydrophobicContact CG2-CB 4Å
42W97.8Very high92.9Very high0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-116.3134.3-179.2-626.2000110.6L14 E17 L18 L21 V31 M32 L39 R62 L63 F65 V121L14-W42 HydrophobicContact CB-CZ2 4.1Å; L14-W42 HydrophobicContact CD2-CZ2 4.12Å; L14-W42 WeakPolarHBondContact O-CZ2 3.39Å; E17-W42 HydrophobicContact CB-CH2 4.17Å; L18-W42 HydrophobicContact CB-CH2 3.65Å; L18-W42 HydrophobicContact CB-CZ2 3.7Å; L18-W42 HydrophobicContact CB-CZ3 4.48Å; L18-W42 HydrophobicContact CD1-CD2 4.43Å; L18-W42 HydrophobicContact CD1-CE3 4.42Å; L18-W42 HydrophobicContact CD1-CH2 4.16Å; L18-W42 HydrophobicContact CD1-CZ2 4.19Å; L18-W42 HydrophobicContact CD1-CZ3 4.27Å; L18-W42 HydrophobicContact CG-CH2 4.49Å; L18-W42 HydrophobicContact CG-CZ2 4.39Å; L21-W42 HydrophobicContact CD1-CZ3 3.78Å; V31-W42 HydrophobicContact CG1-CB 4.43Å; V31-W42 HydrophobicContact CG1-CD2 4.09Å; V31-W42 HydrophobicContact CG1-CE3 3.32Å; V31-W42 HydrophobicContact CG1-CZ3 3.9Å; M32-W42 CarbonylContact O-C 3.47Å; M32-W42 VanDerWaalsContact O-CA 3.27Å; M32-W42 WeakPolarHBondContact O-CA 3.43Å; L39-W42 VanDerWaalsContact O-CD1 3.31Å; L39-W42 PolarHBondContact O-NE1 3.05Å; W42-R62 CarbonylContact O-C 3.57Å; W42-R62 WeakPolarHBondContact O-CA 3.4Å; W42-L63 HydrophobicContact CB-CB 4.37Å; W42-L63 PolarHBondContact N-O 2.98Å; W42-L63 PolarHBondContact O-N 2.76Å; W42-F65 HydrophobicContact CB-CE2 4.1Å; W42-F65 AromaticContact CD1-CE2 3.79Å; W42-F65 AromaticContact CD2-CE2 3.54Å; W42-F65 HydrophobicContact CD2-CE2 3.54Å; W42-F65 AromaticContact CD2-CZ 3.85Å; W42-F65 HydrophobicContact CD2-CZ 3.85Å; W42-F65 AromaticContact CE2-CE2 3.78Å; W42-F65 HydrophobicContact CE3-CE2 4.04Å; W42-F65 AromaticContact CE3-CZ 3.86Å; W42-F65 HydrophobicContact CE3-CZ 3.86Å; W42-F65 HydrophobicContact CG-CD2 4.49Å; W42-F65 AromaticContact CG-CE2 3.56Å; W42-F65 HydrophobicContact CG-CE2 3.56Å; W42-F65 HydrophobicContact CG-CZ 4.3Å; W42-F65 HydrophobicContact CZ2-CE2 4.46Å; W42-F65 HydrophobicContact CZ2-CZ 4.48Å; W42-F65 HydrophobicContact CZ3-CZ 4.22Å; W42-F65 AromaticContact NE1-CE2 3.86Å; W42-V121 HydrophobicContact CE3-CG1 4.31Å; W42-V121 HydrophobicContact CE3-CG2 4.42Å; W42-V121 HydrophobicContact CH2-CG2 4.34Å; W42-V121 HydrophobicContact CZ3-CB 4.2Å; W42-V121 HydrophobicContact CZ3-CG1 4Å; W42-V121 HydrophobicContact CZ3-CG2 3.84Å
43D97.1Very high92.8Very high41 Ų4149.4 Ų49.422%0.21925%0.252CS..EExtended strand (participates in β ladder)trans-90.6133.8168.9-68.6-35.8000109.4M32 S34 R62M32-D43 PolarHBondContact N-O 3.45Å; M32-D43 PolarHBondContact O-N 3.4Å; S34-D43 WeakPolarHBondContact CA-OD2 3.37Å; S34-D43 VanDerWaalsContact CB-OD2 3.24Å; S34-D43 WeakPolarHBondContact CB-OD2 3.44Å; S34-D43 VanDerWaalsContact OG-CG 3.31Å; S34-D43 PolarHBondContact OG-OD1 2.9Å; S34-D43 PolarHBondContact OG-OD2 3.23Å; D43-R62 IonicContact OD1-CZ 2.98Å; D43-R62 IonicContact OD1-NE 2.98Å; D43-R62 PolarHBondContact OD1-NE 3.44Å; D43-R62 IonicContact OD1-NH2 3.91Å; D43-R62 PolarHBondContact OD1-NH2 2.83Å; D43-R62 IonicContact OD2-NH2 2.76Å; D43-R62 PolarHBondContact OD2-NH2 2.98Å
44V96.8Very high92.7Very high2 Ų247.7 Ų47.71%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-122.6115.7-175.7-174.70000108.4F29 K30 V31 I46 K60 A61 L63 L125F29-V44 HydrophobicContact CD1-CG1 3.59Å; F29-V44 HydrophobicContact CE1-CG1 4.22Å; K30-V44 CarbonylContact O-C 3.56Å; K30-V44 WeakPolarHBondContact O-CA 3.39Å; V31-V44 HydrophobicContact CG2-CG1 4.43Å; V31-V44 HydrophobicContact CG2-CG2 4.48Å; V44-I46 HydrophobicContact CG1-CD1 4.44Å; V44-I46 HydrophobicContact CG1-CG1 3.92Å; V44-K60 CarbonylContact O-C 3.59Å; V44-K60 WeakPolarHBondContact O-CA 3.49Å; V44-A61 HydrophobicContact CB-CB 4.4Å; V44-A61 PolarHBondContact N-O 3.11Å; V44-A61 PolarHBondContact O-N 3.01Å; V44-L63 HydrophobicContact CG2-CD1 3.86Å; V44-L63 HydrophobicContact CG2-CG 4.17Å; V44-L125 HydrophobicContact CG1-CD2 4.03Å
45A95.8Very high92.8Very high6 Ų650.3 Ų50.35%0.0525%0.25CC..EExtended strand (participates in β ladder)trans-90.5128.4168.500000109.4F29 K30 Y58F29-A45 CarbonylContact C-O 3.58Å; F29-A45 WeakPolarHBondContact CA-O 3.29Å; K30-A45 HydrophobicContact CB-CB 4.15Å; K30-A45 PolarHBondContact N-O 3.24Å; K30-A45 PolarHBondContact O-N 3.47Å; A45-Y58 HydrophobicContact CB-CE2 3.68Å
46I95.5Very high92.9Very high4 Ų445.6 Ų45.62%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-120.3121.2-174.5-50.7177.5000108.4G28 F29 V44 F59 A61 M76 F78G28-I46 CarbonylContact O-C 3.4Å; G28-I46 WeakPolarHBondContact O-CA 3.29Å; F29-I46 HydrophobicContact CD1-CG1 3.9Å; F29-I46 HydrophobicContact CE1-CB 4.26Å; F29-I46 HydrophobicContact CE1-CD1 3.8Å; F29-I46 HydrophobicContact CE1-CG1 3.56Å; F29-I46 HydrophobicContact CE1-CG2 3.93Å; F29-I46 HydrophobicContact CE2-CG2 4.22Å; F29-I46 HydrophobicContact CZ-CB 4.5Å; F29-I46 HydrophobicContact CZ-CD1 4.44Å; F29-I46 HydrophobicContact CZ-CG1 4.24Å; F29-I46 HydrophobicContact CZ-CG2 3.7Å; V44-I46 HydrophobicContact CG1-CD1 4.44Å; V44-I46 HydrophobicContact CG1-CG1 3.92Å; I46-F59 HydrophobicContact CB-CB 4.29Å; I46-F59 PolarHBondContact N-O 3.14Å; I46-F59 PolarHBondContact O-N 3.05Å; I46-A61 HydrophobicContact CD1-CB 4.04Å; I46-M76 HydrophobicContact CD1-CE 3.68Å; I46-F78 HydrophobicContact CD1-CE1 3.71Å; I46-F78 HydrophobicContact CD1-CZ 3.8Å
47F94.3Very high93.3Very high5 Ų535.8 Ų35.82%0.02218%0.184CC..EExtended strand (participates in β ladder)trans-96130.6174.5-56-70.5000109.4G28 K30 G57 Y58 V182 V184 P185 Y191G28-F47 WeakPolarHBondContact O-CD2 3.42Å; G28-F47 PolarHBondContact O-N 3.47Å; K30-F47 HydrophobicContact CD-CE2 3.94Å; K30-F47 HydrophobicContact CD-CZ 4.08Å; K30-F47 HydrophobicContact CG-CE2 4.03Å; F47-G57 WeakPolarHBondContact CA-O 3.5Å; F47-Y58 HydrophobicContact CD1-CD2 4.08Å; F47-Y58 AromaticContact CE1-CD2 3.56Å; F47-Y58 HydrophobicContact CE1-CD2 3.56Å; F47-Y58 HydrophobicContact CE1-CE2 4.05Å; F47-Y58 HydrophobicContact CZ-CD2 4.29Å; F47-Y58 HydrophobicContact CZ-CE2 4.36Å; F47-V182 HydrophobicContact CE1-CG1 3.55Å; F47-V182 HydrophobicContact CZ-CG1 3.68Å; F47-V184 HydrophobicContact CD1-CG1 4.15Å; F47-P185 HydrophobicContact CB-CG 3.86Å; F47-P185 HydrophobicContact CD1-CG 4.35Å; F47-P185 HydrophobicContact CG-CG 3.98Å; F47-Y191 HydrophobicContact CB-CE2 4.09Å; F47-Y191 WeakPolarHBondContact O-CE2 3.31Å; F47-Y191 PolarHBondContact O-OH 2.96Å
48G92.4Very high93.7Very high2 Ų227 Ų272%0.02114%0.143CC..PPolyproline II helixtrans-66.8128.7177.200000111.6Y54 G57G48-Y54 WeakPolarHBondContact CA-O 3.28Å; G48-G57 PolarHBondContact N-O 3.07Å
49P89Confident93.9Very high17 Ų1724.4 Ų24.411%0.1113%0.129CC..PPolyproline II helixtrans-62.8147.8-179.5-12.421.7000112T52 E55 I129 Y191P49-T52 HydrophobicContact CB-CG2 3.8Å; P49-T52 HydrophobicContact CG-CG2 4.15Å; P49-T52 WeakPolarHBondContact O-CB 3.5Å; P49-T52 WeakPolarHBondContact O-CG2 3.44Å; P49-T52 PolarHBondContact O-OG1 3.15Å; P49-E55 WeakPolarHBondContact O-CA 3.18Å; P49-I129 HydrophobicContact CG-CG2 4.34Å; P49-Y191 HydrophobicContact CB-CE1 4.35Å; P49-Y191 HydrophobicContact CB-CE2 4.25Å; P49-Y191 HydrophobicContact CG-CE2 4.49Å; P49-Y191 WeakPolarHBondContact CG-OH 3.46Å
50P89Confident94Very high19 Ų1925.4 Ų25.412%0.12313%0.132CC..THydrogen-bonded Turntrans-63152.2173.228.4-34.8000111.1T52 L188P50-T52 PolarHBondContact O-N 3.18Å; P50-L188 HydrophobicContact CG-CB 4.23Å; P50-L188 HydrophobicContact CG-CD1 3.93Å
51M86.9Confident94.1Very high163 Ų16324.4 Ų24.480%0.80313%0.127SC*.THydrogen-bonded Turntrans65.323.7-176.9-48.4177.5-68.300114.2E55M51-E55 PolarHBondContact N-OE2 2.85Å
52T90.1Very high94.1Very high34 Ų3425.5 Ų25.521%0.20913%0.13CC..SBendtrans-121.3166.9175.276.20000110.5P49 P50 Y54 E55 N133P49-T52 HydrophobicContact CB-CG2 3.8Å; P49-T52 HydrophobicContact CG-CG2 4.15Å; P49-T52 WeakPolarHBondContact O-CB 3.5Å; P49-T52 WeakPolarHBondContact O-CG2 3.44Å; P49-T52 PolarHBondContact O-OG1 3.15Å; P50-T52 PolarHBondContact O-N 3.18Å; T52-Y54 PolarHBondContact O-N 3.32Å; T52-Y54 VanDerWaalsContact O-N 3.15Å; T52-Y54 PolarHBondContact OG1-N 3.42Å; T52-Y54 VanDerWaalsContact OG1-N 3.15Å; T52-E55 WeakPolarHBondContact O-CB 3.39Å; T52-E55 PolarHBondContact O-N 3.15Å; T52-E55 PolarHBondContact OG1-N 2.69Å; T52-N133 WeakPolarHBondContact CG2-OD1 3.43Å
53L92.5Very high94.1Very high34 Ų3425.5 Ų25.518%0.17813%0.13CC..THydrogen-bonded Turntrans-62-19.3171.8-69179.6000113W152 Y162 E163 V166L53-W152 HydrophobicContact CD1-CH2 3.82Å; L53-W152 HydrophobicContact CD1-CZ2 3.84Å; L53-W152 HydrophobicContact CD1-CZ3 4.23Å; L53-W152 HydrophobicContact CD2-CZ2 4.07Å; L53-W152 HydrophobicContact CG-CH2 4.27Å; L53-W152 HydrophobicContact CG-CZ2 4.19Å; L53-Y162 HydrophobicContact CD1-CD1 3.73Å; L53-Y162 HydrophobicContact CD1-CE1 3.69Å; L53-E163 HydrophobicContact CD2-CB 3.98Å; L53-E163 HydrophobicContact CD2-CG 3.69Å; L53-V166 HydrophobicContact CB-CG1 3.87Å; L53-V166 WeakPolarHBondContact O-CG1 2.82Å
54Y93.9Very high94.2Very high9 Ų924.2 Ų24.24%0.03512%0.124CC..THydrogen-bonded Turntrans-93.8-3.3-178.2-64.6-81.2000113.1G48 T52 G56 G57 F59 M82 H84 L132 Y162 V166G48-Y54 WeakPolarHBondContact CA-O 3.28Å; T52-Y54 PolarHBondContact O-N 3.32Å; T52-Y54 VanDerWaalsContact O-N 3.15Å; T52-Y54 PolarHBondContact OG1-N 3.42Å; T52-Y54 VanDerWaalsContact OG1-N 3.15Å; Y54-G56 PolarHBondContact O-N 3.2Å; Y54-G57 WeakPolarHBondContact O-CA 3.38Å; Y54-G57 PolarHBondContact O-N 2.78Å; Y54-F59 AromaticContact CD1-CE2 3.77Å; Y54-F59 HydrophobicContact CD1-CE2 3.77Å; Y54-F59 AromaticContact CD1-CZ 3.66Å; Y54-F59 HydrophobicContact CD1-CZ 3.66Å; Y54-F59 HydrophobicContact CE1-CZ 4.34Å; Y54-F59 HydrophobicContact CG-CE2 4.48Å; Y54-M82 HydrophobicContact CE1-CE 4.09Å; Y54-H84 PolarHBondContact OH-CD2 3.43Å; Y54-L132 HydrophobicContact CE1-CD2 4.48Å; Y54-L132 HydrophobicContact CE2-CB 4.38Å; Y54-L132 HydrophobicContact CE2-CD2 4.49Å; Y54-L132 VanDerWaalsContact CE2-O 3.29Å; Y54-L132 WeakPolarHBondContact CE2-O 3.44Å; Y54-Y162 PolarHBondContact OH-OH 3.3Å; Y54-V166 HydrophobicContact CD1-CG1 3.88Å; Y54-V166 HydrophobicContact CE1-CG1 3.62Å; Y54-V166 HydrophobicContact CE2-CG1 4.36Å; Y54-V166 HydrophobicContact CG-CG1 4.35Å
55E93.3Very high94.2Very high89 Ų8924.8 Ų24.842%0.41613%0.126SC..THydrogen-bonded Turntrans-47.4128.9-178.2177.7177.6146.600112.3P49 M51 T52 G57 V170P49-E55 WeakPolarHBondContact O-CA 3.18Å; M51-E55 PolarHBondContact N-OE2 2.85Å; T52-E55 WeakPolarHBondContact O-CB 3.39Å; T52-E55 PolarHBondContact O-N 3.15Å; T52-E55 PolarHBondContact OG1-N 2.69Å; E55-G57 PolarHBondContact O-N 2.96Å; E55-V170 WeakPolarHBondContact O-CG1 3.08Å
56G92.7Very high94.2Very high9 Ų926.1 Ų26.19%0.09313%0.134CC..THydrogen-bonded Turntrans76.92.5-177.300000114.7Y54 H174 V184Y54-G56 PolarHBondContact O-N 3.2Å; G56-H174 PolarHBondContact O-CD2 3.31Å; G56-H174 PolarHBondContact O-NE2 2.87Å; G56-H174 VanDerWaalsContact O-NE2 3.14Å; G56-V184 WeakPolarHBondContact O-CG1 3.43Å
57G94.7Very high94.2Very high0 Ų029.2 Ų29.20%015%0.151CC..  trans-75146175.300000113.1F47 G48 Y54 E55F47-G57 WeakPolarHBondContact CA-O 3.5Å; G48-G57 PolarHBondContact N-O 3.07Å; Y54-G57 WeakPolarHBondContact O-CA 3.38Å; Y54-G57 PolarHBondContact O-N 2.78Å; E55-G57 PolarHBondContact O-N 2.96Å
58Y96.3Very high94.2Very high10 Ų1031.8 Ų31.84%0.03917%0.165CC..EExtended strand (participates in β ladder)trans-124.796.9173.3172.5-116.9000110A45 F47 K60 T173 E176 A177 D180 V182A45-Y58 HydrophobicContact CB-CE2 3.68Å; F47-Y58 HydrophobicContact CD1-CD2 4.08Å; F47-Y58 AromaticContact CE1-CD2 3.56Å; F47-Y58 HydrophobicContact CE1-CD2 3.56Å; F47-Y58 HydrophobicContact CE1-CE2 4.05Å; F47-Y58 HydrophobicContact CZ-CD2 4.29Å; F47-Y58 HydrophobicContact CZ-CE2 4.36Å; Y58-K60 VanDerWaalsContact CE1-CE 3.49Å; Y58-K60 HydrophobicContact CE1-CG 4.34Å; Y58-T173 PolarHBondContact N-OG1 3.39Å; Y58-T173 WeakPolarHBondContact O-CB 3.18Å; Y58-T173 WeakPolarHBondContact O-CG2 3.45Å; Y58-E176 HydrophobicContact CD1-CB 4.29Å; Y58-E176 HydrophobicContact CE1-CB 4.48Å; Y58-A177 VanDerWaalsContact CD1-CA 3.49Å; Y58-A177 HydrophobicContact CD1-CB 3.62Å; Y58-A177 HydrophobicContact CE1-CB 4.32Å; Y58-A177 HydrophobicContact CG-CB 3.9Å; Y58-D180 HydrophobicContact CE1-CB 4.43Å; Y58-D180 VanDerWaalsContact CE1-OD2 3.26Å; Y58-D180 WeakPolarHBondContact CE1-OD2 2.96Å; Y58-D180 PolarHBondContact OH-OD2 3.38Å; Y58-V182 HydrophobicContact CD2-CG1 4.25Å; Y58-V182 HydrophobicContact CE2-CB 4.32Å; Y58-V182 HydrophobicContact CE2-CG1 4Å; Y58-V182 HydrophobicContact CE2-CG2 4.25Å
59F96.5Very high94.4Very high2 Ų231.7 Ų31.71%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-104.3141-176.2-53.7-82.2000110.6I46 Y54 F78 M82 V170 T173I46-F59 HydrophobicContact CB-CB 4.29Å; I46-F59 PolarHBondContact N-O 3.14Å; I46-F59 PolarHBondContact O-N 3.05Å; Y54-F59 AromaticContact CD1-CE2 3.77Å; Y54-F59 HydrophobicContact CD1-CE2 3.77Å; Y54-F59 AromaticContact CD1-CZ 3.66Å; Y54-F59 HydrophobicContact CD1-CZ 3.66Å; Y54-F59 HydrophobicContact CE1-CZ 4.34Å; Y54-F59 HydrophobicContact CG-CE2 4.48Å; F59-F78 HydrophobicContact CB-CD1 4.17Å; F59-F78 HydrophobicContact CB-CE1 3.93Å; F59-M82 HydrophobicContact CD1-CE 4.28Å; F59-M82 HydrophobicContact CD1-SD 3.46Å; F59-M82 WeakPolarHBondContact CD1-SD 3.31Å; F59-M82 HydrophobicContact CE1-CE 4.45Å; F59-M82 HydrophobicContact CE1-SD 3.82Å; F59-M82 HydrophobicContact CG-SD 4.18Å; F59-V170 HydrophobicContact CZ-CG2 3.96Å; F59-T173 HydrophobicContact CD1-CG2 3.84Å; F59-T173 HydrophobicContact CE1-CG2 3.73Å; F59-T173 HydrophobicContact CZ-CG2 4.36Å
60K97Very high94.7Very high53 Ų5332 Ų3223%0.2317%0.166CC..EExtended strand (participates in β ladder)trans-104.9135.4173.7-60.5178.9-172.5-174.40109.3V44 Y58 F78 L79 S80 D180V44-K60 CarbonylContact O-C 3.59Å; V44-K60 WeakPolarHBondContact O-CA 3.49Å; Y58-K60 VanDerWaalsContact CE1-CE 3.49Å; Y58-K60 HydrophobicContact CE1-CG 4.34Å; K60-F78 CarbonylContact O-C 3.6Å; K60-L79 HydrophobicContact CB-CB 4.09Å; K60-L79 HydrophobicContact CB-CD1 4.4Å; K60-L79 PolarHBondContact O-N 3.07Å; K60-S80 PolarHBondContact N-OG 3.38Å; K60-S80 PolarHBondContact O-N 3.33Å; K60-D180 WeakPolarHBondContact CE-OD2 3.47Å; K60-D180 IonicContact NZ-OD1 3.44Å; K60-D180 PolarHBondContact NZ-OD1 3.08Å; K60-D180 IonicContact NZ-OD2 3.34Å; K60-D180 PolarHBondContact NZ-OD2 3Å
61A97.7Very high95Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-134163.5171.300000110.3V44 I46 M76 H77 F78V44-A61 HydrophobicContact CB-CB 4.4Å; V44-A61 PolarHBondContact N-O 3.11Å; V44-A61 PolarHBondContact O-N 3.01Å; I46-A61 HydrophobicContact CD1-CB 4.04Å; A61-M76 HydrophobicContact CB-CE 3.52Å; A61-M76 HydrophobicContact CB-CG 4.44Å; A61-H77 CarbonylContact C-O 3.14Å; A61-H77 WeakPolarHBondContact CA-O 3.44Å; A61-H77 WeakPolarHBondContact CB-O 3.05Å; A61-F78 HydrophobicContact CB-CD1 4.27Å; A61-F78 HydrophobicContact CB-CG 4.39Å
62R97.7Very high95.4Very high37 Ų3731.9 Ų31.914%0.1416%0.161CC..EExtended strand (participates in β ladder)trans-128.6129.4178.7-178.3163.8-71.2-175-4.9109.9S34 V41 W42 D43 M76 H77 L79 D258 P259 C260S34-R62 PolarHBondContact OG-NH2 3.45Å; V41-R62 HydrophobicContact CG1-CG 3.8Å; W42-R62 CarbonylContact O-C 3.57Å; W42-R62 WeakPolarHBondContact O-CA 3.4Å; D43-R62 IonicContact OD1-CZ 2.98Å; D43-R62 IonicContact OD1-NE 2.98Å; D43-R62 PolarHBondContact OD1-NE 3.44Å; D43-R62 IonicContact OD1-NH2 3.91Å; D43-R62 PolarHBondContact OD1-NH2 2.83Å; D43-R62 IonicContact OD2-NH2 2.76Å; D43-R62 PolarHBondContact OD2-NH2 2.98Å; R62-M76 WeakPolarHBondContact O-CA 3.48Å; R62-H77 PolarHBondContact N-O 3.09Å; R62-H77 PolarHBondContact O-N 3.36Å; R62-L79 HydrophobicContact CB-CD1 4.34Å; R62-L79 HydrophobicContact CB-CD2 4.09Å; R62-L79 HydrophobicContact CB-CG 4.25Å; R62-D258 IonicContact NH1-OD1 2.87Å; R62-D258 PolarHBondContact NH1-OD1 3.39Å; R62-D258 IonicContact NH1-OD2 3.74Å; R62-P259 HydrophobicContact CB-CG 4.49Å; R62-C260 VanDerWaalsContact CD-SG 3.54Å
63L97.9Very high95.7Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-99126.8169.4-75.8167.4000109.1V41 W42 V44 F65 P74 T75 M76 V121V41-L63 WeakPolarHBondContact CA-O 3.34Å; W42-L63 HydrophobicContact CB-CB 4.37Å; W42-L63 PolarHBondContact N-O 2.98Å; W42-L63 PolarHBondContact O-N 2.76Å; V44-L63 HydrophobicContact CG2-CD1 3.86Å; V44-L63 HydrophobicContact CG2-CG 4.17Å; L63-F65 HydrophobicContact CB-CE2 3.82Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.16Å; L63-P74 HydrophobicContact CD2-CB 4.41Å; L63-P74 HydrophobicContact CD2-CG 4.4Å; L63-T75 WeakPolarHBondContact CA-O 3.42Å; L63-M76 HydrophobicContact CD2-CB 3.72Å; L63-M76 HydrophobicContact CD2-CG 3.97Å; L63-M76 HydrophobicContact CD2-SD 4.3Å; L63-M76 HydrophobicContact CG-CG 4.5Å; L63-V121 HydrophobicContact CD1-CG1 3.8Å
64C97.4Very high96Very high14 Ų1429.6 Ų29.610%0.09515%0.149CC..EExtended strand (participates in β ladder)trans-113.1119.3173.6-42.10000108.5P74 T75 C260C64-P74 CarbonylContact O-C 3.53Å; C64-P74 WeakPolarHBondContact O-CA 3.45Å; C64-P74 VanDerWaalsContact O-CB 3.27Å; C64-P74 WeakPolarHBondContact O-CB 3.38Å; C64-T75 WeakPolarHBondContact CB-OG1 3.33Å; C64-T75 PolarHBondContact N-O 3.43Å; C64-T75 PolarHBondContact O-N 3.11Å; C64-C260 HydrophobicContact CB-CB 3.79Å; C64-C260 WeakPolarHBondContact CB-SG 3.47Å; C64-C260 WeakPolarHBondContact SG-CA 3.41Å; C64-C260 WeakPolarHBondContact SG-CB 3.37Å; C64-C260 CovalentContact SG-SG 2.03Å; C64-C260 PolarHBondContact SG-SG 3.11Å
65F97.6Very high96.2Very high14 Ų1431.9 Ų31.96%0.06116%0.164CC..  trans-96.1139.7-177.1-61.1-88.3000110.9L14 F40 W42 L63 Y69 P74 V121L14-F65 HydrophobicContact CD1-CB 4.05Å; L14-F65 HydrophobicContact CD1-CD2 4.49Å; L14-F65 HydrophobicContact CD1-CG 4.16Å; L14-F65 HydrophobicContact CD2-CB 4.28Å; L14-F65 HydrophobicContact CD2-CD1 3.38Å; L14-F65 HydrophobicContact CD2-CD2 4.04Å; L14-F65 HydrophobicContact CD2-CE1 3.58Å; L14-F65 HydrophobicContact CD2-CE2 4.23Å; L14-F65 HydrophobicContact CD2-CG 3.63Å; L14-F65 HydrophobicContact CD2-CZ 4.01Å; F40-F65 HydrophobicContact CB-CB 4.29Å; F40-F65 HydrophobicContact CD1-CB 3.85Å; F40-F65 HydrophobicContact CG-CB 4.49Å; F40-F65 WeakPolarHBondContact O-CD2 3.49Å; F40-F65 PolarHBondContact O-N 2.94Å; W42-F65 HydrophobicContact CB-CE2 4.1Å; W42-F65 AromaticContact CD1-CE2 3.79Å; W42-F65 AromaticContact CD2-CE2 3.54Å; W42-F65 HydrophobicContact CD2-CE2 3.54Å; W42-F65 AromaticContact CD2-CZ 3.85Å; W42-F65 HydrophobicContact CD2-CZ 3.85Å; W42-F65 AromaticContact CE2-CE2 3.78Å; W42-F65 HydrophobicContact CE3-CE2 4.04Å; W42-F65 AromaticContact CE3-CZ 3.86Å; W42-F65 HydrophobicContact CE3-CZ 3.86Å; W42-F65 HydrophobicContact CG-CD2 4.49Å; W42-F65 AromaticContact CG-CE2 3.56Å; W42-F65 HydrophobicContact CG-CE2 3.56Å; W42-F65 HydrophobicContact CG-CZ 4.3Å; W42-F65 HydrophobicContact CZ2-CE2 4.46Å; W42-F65 HydrophobicContact CZ2-CZ 4.48Å; W42-F65 HydrophobicContact CZ3-CZ 4.22Å; W42-F65 AromaticContact NE1-CE2 3.86Å; L63-F65 HydrophobicContact CB-CE2 3.82Å; L63-F65 HydrophobicContact CB-CZ 3.94Å; L63-F65 HydrophobicContact CD1-CZ 4.16Å; F65-Y69 AromaticContact CD1-CD2 3.72Å; F65-Y69 HydrophobicContact CD1-CD2 3.72Å; F65-Y69 AromaticContact CD1-CE2 3.8Å; F65-Y69 HydrophobicContact CD1-CE2 3.8Å; F65-Y69 HydrophobicContact CD1-CG 4.14Å; F65-Y69 HydrophobicContact CE1-CD2 4.42Å; F65-Y69 HydrophobicContact CE1-CE2 4.03Å; F65-P74 HydrophobicContact CD1-CB 3.62Å; F65-P74 HydrophobicContact CD1-CG 4.15Å; F65-P74 HydrophobicContact CE1-CB 3.9Å; F65-P74 HydrophobicContact CE1-CG 4.07Å; F65-P74 HydrophobicContact CG-CB 4.21Å; F65-V121 HydrophobicContact CE1-CG2 3.48Å; F65-V121 VanDerWaalsContact CE1-CG2 3.48Å; F65-V121 HydrophobicContact CZ-CG2 3.53Å
66P95.9Very high96.4Very high33 Ų3327.7 Ų27.721%0.21414%0.144CC..  trans-77.6159173.934.2-36.8000111.5F40 D68 Y69 S72 P73F40-P66 WeakPolarHBondContact CE1-O 3.36Å; P66-D68 WeakPolarHBondContact CB-OD1 3.49Å; P66-D68 PolarHBondContact O-N 3.37Å; P66-D68 VanDerWaalsContact O-N 3.08Å; P66-Y69 WeakPolarHBondContact O-CB 3.42Å; P66-Y69 PolarHBondContact O-N 2.98Å; P66-Y69 VanDerWaalsContact O-N 3.09Å; P66-S72 WeakPolarHBondContact CG-O 3.44Å; P66-P73 WeakPolarHBondContact CD-O 3.47Å
67D94.8Very high96.6Very high69 Ų6928.1 Ų28.137%0.36914%0.144SC..THydrogen-bonded Turntrans-60-21.6-179.2-72.3-28.3000113.9R4 N7 A10R4-D67 WeakPolarHBondContact CB-OD2 3.49Å; N7-D67 WeakPolarHBondContact CB-O 3.32Å; N7-D67 PolarHBondContact N-O 3.27Å; A10-D67 WeakPolarHBondContact CB-O 3.35Å
68D94.7Very high96.8Very high59 Ų5928.5 Ų28.532%0.31615%0.146SC..THydrogen-bonded Turntrans-105.216.3-17970.9-31.9000113.2P66 Y71 S72P66-D68 WeakPolarHBondContact CB-OD1 3.49Å; P66-D68 PolarHBondContact O-N 3.37Å; P66-D68 VanDerWaalsContact O-N 3.08Å; D68-Y71 WeakPolarHBondContact O-CB 3.43Å; D68-Y71 VanDerWaalsContact O-CD2 3.22Å; D68-Y71 WeakPolarHBondContact O-CD2 3.43Å; D68-Y71 PolarHBondContact O-N 3.09Å; D68-S72 VanDerWaalsContact OD1-CB 3.3Å; D68-S72 WeakPolarHBondContact OD1-CB 3.3Å; D68-S72 PolarHBondContact OD1-OG 2.87Å; D68-S72 PolarHBondContact OD2-OG 3.5Å
69Y96.8Very high96.7Very high0 Ų030.7 Ų30.70%016%0.158CC..THydrogen-bonded Turntrans-51.4137.3172.6-176.6-93.7000111.6A10 A13 L14 E17 F65 P66 W115A10-Y69 WeakPolarHBondContact CA-O 3.39Å; A10-Y69 WeakPolarHBondContact CB-O 3.36Å; A13-Y69 HydrophobicContact CB-CD1 4.15Å; A13-Y69 HydrophobicContact CB-CE1 4.16Å; L14-Y69 HydrophobicContact CD2-CD1 3.55Å; L14-Y69 HydrophobicContact CD2-CE1 3.6Å; L14-Y69 HydrophobicContact CD2-CG 4.12Å; L14-Y69 HydrophobicContact CG-CD1 3.84Å; L14-Y69 HydrophobicContact CG-CE1 4.23Å; E17-Y69 VanDerWaalsContact OE1-CE1 3.22Å; E17-Y69 WeakPolarHBondContact OE1-CE1 3.49Å; E17-Y69 PolarHBondContact OE1-OH 2.78Å; E17-Y69 PolarHBondContact OE2-OH 3.09Å; F65-Y69 AromaticContact CD1-CD2 3.72Å; F65-Y69 HydrophobicContact CD1-CD2 3.72Å; F65-Y69 AromaticContact CD1-CE2 3.8Å; F65-Y69 HydrophobicContact CD1-CE2 3.8Å; F65-Y69 HydrophobicContact CD1-CG 4.14Å; F65-Y69 HydrophobicContact CE1-CD2 4.42Å; F65-Y69 HydrophobicContact CE1-CE2 4.03Å; P66-Y69 WeakPolarHBondContact O-CB 3.42Å; P66-Y69 PolarHBondContact O-N 2.98Å; P66-Y69 VanDerWaalsContact O-N 3.09Å; Y69-W115 HydrophobicContact CD2-CZ2 4.11Å; Y69-W115 AromaticContact CE2-CH2 3.67Å; Y69-W115 HydrophobicContact CE2-CH2 3.67Å; Y69-W115 AromaticContact CE2-CZ2 3.51Å; Y69-W115 HydrophobicContact CE2-CZ2 3.51Å
70P95.5Very high96.7Very high25 Ų2530.9 Ų30.916%0.16216%0.159CC..THydrogen-bonded Turncis-93.819.14.938.4-36.7000114.5W115 P117P70-W115 HydrophobicContact CB-CZ2 4.23Å; P70-W115 PolarHBondContact O-NE1 2.91Å; P70-P117 HydrophobicContact CG-CB 4.4Å; P70-P117 WeakPolarHBondContact O-CA 3.4Å
71Y94.8Very high96.5Very high139 Ų13936.9 Ų36.955%0.54518%0.18SC..SBendtrans-71-34.9-179.9-62.1-74000112.7D68 P101 P117D68-Y71 WeakPolarHBondContact O-CB 3.43Å; D68-Y71 VanDerWaalsContact O-CD2 3.22Å; D68-Y71 WeakPolarHBondContact O-CD2 3.43Å; D68-Y71 PolarHBondContact O-N 3.09Å; Y71-P101 WeakPolarHBondContact O-CG 3.39Å; Y71-P117 HydrophobicContact CD1-CB 4.45Å; Y71-P117 HydrophobicContact CD1-CG 3.93Å; Y71-P117 HydrophobicContact CE1-CG 4.46Å
72S95.6Very high96.5Very high39 Ų3937.9 Ų37.927%0.27319%0.185SC..SBendtrans-110.3146.8171.4-62.10000110.7P66 D68 W115P66-S72 WeakPolarHBondContact CG-O 3.44Å; D68-S72 VanDerWaalsContact OD1-CB 3.3Å; D68-S72 WeakPolarHBondContact OD1-CB 3.3Å; D68-S72 PolarHBondContact OD1-OG 2.87Å; D68-S72 PolarHBondContact OD2-OG 3.5Å; S72-W115 VanDerWaalsContact C-NE1 3.34Å; S72-W115 PolarHBondContact O-NE1 3.18Å
73P97.1Very high96.4Very high20 Ų2038 Ų3813%0.1319%0.186CC..PPolyproline II helixtrans-67.9150.7179.724.1-30.7000111.8P66 L98 W115P66-P73 WeakPolarHBondContact CD-O 3.47Å; P73-L98 WeakPolarHBondContact CG-O 3.33Å; P73-W115 HydrophobicContact CB-CB 3.79Å; P73-W115 HydrophobicContact CB-CD2 3.57Å; P73-W115 HydrophobicContact CB-CE3 3.98Å; P73-W115 HydrophobicContact CB-CG 3.48Å; P73-W115 VanDerWaalsContact CB-CG 3.48Å; P73-W115 VanDerWaalsContact CD-CD1 3.5Å; P73-W115 HydrophobicContact CG-CB 3.99Å; P73-W115 HydrophobicContact CG-CG 3.98Å
74P97.9Very high96.3Very high1 Ų138 Ų381%0.00619%0.186CC..PPolyproline II helixtrans-70.9164.4161.433.6-34.1000111L63 C64 F65 L98 W115 I124L63-P74 HydrophobicContact CD2-CB 4.41Å; L63-P74 HydrophobicContact CD2-CG 4.4Å; C64-P74 CarbonylContact O-C 3.53Å; C64-P74 WeakPolarHBondContact O-CA 3.45Å; C64-P74 VanDerWaalsContact O-CB 3.27Å; C64-P74 WeakPolarHBondContact O-CB 3.38Å; F65-P74 HydrophobicContact CD1-CB 3.62Å; F65-P74 HydrophobicContact CD1-CG 4.15Å; F65-P74 HydrophobicContact CE1-CB 3.9Å; F65-P74 HydrophobicContact CE1-CG 4.07Å; F65-P74 HydrophobicContact CG-CB 4.21Å; P74-L98 HydrophobicContact CG-CD2 4.25Å; P74-W115 HydrophobicContact CG-CH2 4.47Å; P74-I124 HydrophobicContact CG-CD1 3.38Å
75T97.5Very high96.3Very high56 Ų5637.3 Ų37.334%0.34418%0.182SC..EExtended strand (participates in β ladder)trans-101.9142166.760.40000110L63 C64L63-T75 WeakPolarHBondContact CA-O 3.42Å; C64-T75 WeakPolarHBondContact CB-OG1 3.33Å; C64-T75 PolarHBondContact N-O 3.43Å; C64-T75 PolarHBondContact O-N 3.11Å
76M97.9Very high96.3Very high1 Ų136.8 Ų36.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-115.8128.2174.3-171.9171175.600110.9I46 A61 R62 L63 F78 V93 L98 I124 V128I46-M76 HydrophobicContact CD1-CE 3.68Å; A61-M76 HydrophobicContact CB-CE 3.52Å; A61-M76 HydrophobicContact CB-CG 4.44Å; R62-M76 WeakPolarHBondContact O-CA 3.48Å; L63-M76 HydrophobicContact CD2-CB 3.72Å; L63-M76 HydrophobicContact CD2-CG 3.97Å; L63-M76 HydrophobicContact CD2-SD 4.3Å; L63-M76 HydrophobicContact CG-CG 4.5Å; M76-F78 HydrophobicContact CE-CE2 4.48Å; M76-V93 HydrophobicContact CB-CB 4.31Å; M76-V93 HydrophobicContact CB-CG2 4.16Å; M76-V93 HydrophobicContact CG-CG2 3.99Å; M76-V93 PolarHBondContact O-N 3.31Å; M76-V93 HydrophobicContact SD-CG2 4.36Å; M76-L98 HydrophobicContact CB-CD1 3.88Å; M76-I124 HydrophobicContact SD-CG2 4.33Å; M76-V128 HydrophobicContact CE-CG1 4.13Å; M76-V128 HydrophobicContact CE-CG2 4.27Å; M76-V128 HydrophobicContact SD-CG2 3.65Å
77H97.8Very high96.4Very high18 Ų1835.3 Ų35.38%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-127.7128.1177.9-65.381.2000110.6A61 R62 L79 G91 P259A61-H77 CarbonylContact C-O 3.14Å; A61-H77 WeakPolarHBondContact CA-O 3.44Å; A61-H77 WeakPolarHBondContact CB-O 3.05Å; R62-H77 PolarHBondContact N-O 3.09Å; R62-H77 PolarHBondContact O-N 3.36Å; H77-L79 PolarHBondContact O-N 2.84Å; H77-G91 CarbonylContact C-O 3.42Å; H77-G91 WeakPolarHBondContact CA-O 3.3Å; H77-P259 HydrophobicContact CB-CB 3.85Å; H77-P259 HydrophobicContact CB-CG 3.95Å; H77-P259 VanDerWaalsContact CG-CB 3.49Å
78F97.4Very high96.4Very high9 Ų936.6 Ų36.64%0.03917%0.17CC..EExtended strand (participates in β ladder)trans-69.9126165.6-80.1-93000110I46 F59 K60 A61 M76 M82 I87 G91 V93 V128 L132I46-F78 HydrophobicContact CD1-CE1 3.71Å; I46-F78 HydrophobicContact CD1-CZ 3.8Å; F59-F78 HydrophobicContact CB-CD1 4.17Å; F59-F78 HydrophobicContact CB-CE1 3.93Å; K60-F78 CarbonylContact O-C 3.6Å; A61-F78 HydrophobicContact CB-CD1 4.27Å; A61-F78 HydrophobicContact CB-CG 4.39Å; M76-F78 HydrophobicContact CE-CE2 4.48Å; F78-M82 HydrophobicContact CB-CG 3.56Å; F78-M82 HydrophobicContact CD1-CE 4.11Å; F78-M82 HydrophobicContact CD1-CG 3.58Å; F78-M82 HydrophobicContact CD1-SD 3.72Å; F78-M82 HydrophobicContact CD2-CG 4.06Å; F78-M82 HydrophobicContact CE1-CE 3.81Å; F78-M82 HydrophobicContact CE1-CG 4.24Å; F78-M82 HydrophobicContact CE1-SD 3.99Å; F78-M82 HydrophobicContact CG-CG 3.46Å; F78-M82 VanDerWaalsContact CG-CG 3.46Å; F78-M82 HydrophobicContact CG-SD 4.25Å; F78-M82 HydrophobicContact CZ-CE 4.08Å; F78-I87 HydrophobicContact CD2-CD1 3.62Å; F78-I87 HydrophobicContact CD2-CG1 4.28Å; F78-I87 HydrophobicContact CD2-CG2 4.17Å; F78-I87 HydrophobicContact CE2-CD1 3.41Å; F78-I87 VanDerWaalsContact CE2-CD1 3.41Å; F78-I87 HydrophobicContact CE2-CG1 4.22Å; F78-I87 HydrophobicContact CG-CD1 4.43Å; F78-I87 HydrophobicContact CZ-CD1 4.07Å; F78-G91 PolarHBondContact N-O 3.45Å; F78-V93 HydrophobicContact CD2-CG2 3.59Å; F78-V93 HydrophobicContact CE2-CG2 3.55Å; F78-V128 HydrophobicContact CZ-CG1 4.35Å; F78-L132 HydrophobicContact CZ-CD1 4.47Å; F78-L132 HydrophobicContact CZ-CD2 4.47Å
79L96.1Very high96.4Very high55 Ų5541.8 Ų41.829%0.28819%0.192SC..SBendtrans-82.7-33.6170.8-55.8-179.6000110.3K60 R62 H77 P259K60-L79 HydrophobicContact CB-CB 4.09Å; K60-L79 HydrophobicContact CB-CD1 4.4Å; K60-L79 PolarHBondContact O-N 3.07Å; R62-L79 HydrophobicContact CB-CD1 4.34Å; R62-L79 HydrophobicContact CB-CD2 4.09Å; R62-L79 HydrophobicContact CB-CG 4.25Å; H77-L79 PolarHBondContact O-N 2.84Å; L79-P259 HydrophobicContact CD2-CG 4.23Å
80S94.6Very high96.3Very high6 Ų646.7 Ų46.74%0.04222%0.218CC..SBendtrans-72148.3169.4-56.80000110.2K60 M82 E176K60-S80 PolarHBondContact N-OG 3.38Å; K60-S80 PolarHBondContact O-N 3.33Å; S80-M82 PolarHBondContact O-N 3.45Å; S80-E176 PolarHBondContact OG-OE2 3.21Å
81R94.8Very high96.4Very high179 Ų17945.7 Ų45.768%0.67521%0.213SC*.  trans-65.4131.4175.2-69.3-173.3178.1-170.1-0.7110.7L169R81-L169 HydrophobicContact CB-CD2 4.09Å
82M95.8Very high96.5Very high21 Ų2142.5 Ų42.510%0.10320%0.203CC..  trans-122.1143.3179-63.2-58.6-7600111.3Y54 F59 F78 S80 I87 L132Y54-M82 HydrophobicContact CE1-CE 4.09Å; F59-M82 HydrophobicContact CD1-CE 4.28Å; F59-M82 HydrophobicContact CD1-SD 3.46Å; F59-M82 WeakPolarHBondContact CD1-SD 3.31Å; F59-M82 HydrophobicContact CE1-CE 4.45Å; F59-M82 HydrophobicContact CE1-SD 3.82Å; F59-M82 HydrophobicContact CG-SD 4.18Å; F78-M82 HydrophobicContact CB-CG 3.56Å; F78-M82 HydrophobicContact CD1-CE 4.11Å; F78-M82 HydrophobicContact CD1-CG 3.58Å; F78-M82 HydrophobicContact CD1-SD 3.72Å; F78-M82 HydrophobicContact CD2-CG 4.06Å; F78-M82 HydrophobicContact CE1-CE 3.81Å; F78-M82 HydrophobicContact CE1-CG 4.24Å; F78-M82 HydrophobicContact CE1-SD 3.99Å; F78-M82 HydrophobicContact CG-CG 3.46Å; F78-M82 VanDerWaalsContact CG-CG 3.46Å; F78-M82 HydrophobicContact CG-SD 4.25Å; F78-M82 HydrophobicContact CZ-CE 4.08Å; S80-M82 PolarHBondContact O-N 3.45Å; M82-I87 HydrophobicContact CB-CB 4.31Å; M82-I87 HydrophobicContact CB-CD1 3.91Å; M82-I87 HydrophobicContact CB-CG2 3.92Å; M82-I87 HydrophobicContact CE-CD1 3.76Å; M82-I87 HydrophobicContact CG-CD1 3.97Å; M82-I87 HydrophobicContact CG-CG2 4.4Å; M82-L132 HydrophobicContact CE-CD2 3.84Å
83Y96.6Very high96.6Very high40 Ų4041.1 Ų41.116%0.15719%0.193CC..  trans-124.395.6168.5-172.5-106.2000107.4H142 D144 A145 A148 Y162 V165Y83-H142 AromaticContact CD2-CE1 3.56Å; Y83-H142 AromaticContact CE2-CE1 3.7Å; Y83-H142 AromaticContact CE2-NE2 3.85Å; Y83-D144 PolarHBondContact OH-O 2.96Å; Y83-A145 HydrophobicContact CD1-CB 4.11Å; Y83-A145 HydrophobicContact CD2-CB 4.08Å; Y83-A145 HydrophobicContact CE1-CB 3.92Å; Y83-A145 HydrophobicContact CE2-CB 3.86Å; Y83-A145 HydrophobicContact CG-CB 4.2Å; Y83-A145 VanDerWaalsContact CZ-CA 3.47Å; Y83-A145 WeakPolarHBondContact OH-CA 3.37Å; Y83-A145 PolarHBondContact OH-N 2.96Å; Y83-A148 HydrophobicContact CE1-CB 4.18Å; Y83-Y162 HydrophobicContact CD1-CD2 4.03Å; Y83-Y162 HydrophobicContact CD1-CE2 4.12Å; Y83-Y162 AromaticContact CE1-CD2 3.87Å; Y83-Y162 HydrophobicContact CE1-CD2 3.87Å; Y83-Y162 HydrophobicContact CE1-CE2 4.31Å; Y83-V165 HydrophobicContact CD1-CB 4.01Å; Y83-V165 HydrophobicContact CD1-CG1 3.66Å; Y83-V165 HydrophobicContact CD2-CG1 4.4Å; Y83-V165 HydrophobicContact CE1-CB 4.39Å; Y83-V165 HydrophobicContact CE1-CG1 4.35Å; Y83-V165 HydrophobicContact CG-CG1 3.68Å
84H96.6Very high96.4Very high0 Ų041 Ų410%019%0.192CC..BIsolated β-bridgetrans-152139.4-169.6-174.2-92.4000110.8Y54 N86 I87 L131 P135 H142Y54-H84 PolarHBondContact OH-CD2 3.43Å; H84-N86 PolarHBondContact ND1-N 3.43Å; H84-N86 PolarHBondContact O-N 2.94Å; H84-N86 VanDerWaalsContact O-N 3.09Å; H84-I87 HydrophobicContact CB-CB 4.05Å; H84-I87 HydrophobicContact CB-CD1 3.72Å; H84-I87 HydrophobicContact CB-CG1 3.91Å; H84-I87 PolarHBondContact O-N 3.06Å; H84-L131 PolarHBondContact CE1-O 2.99Å; H84-L131 PolarHBondContact NE2-O 3.29Å; H84-L131 VanDerWaalsContact NE2-O 3.07Å; H84-P135 WeakPolarHBondContact NE2-CG 3.33Å; H84-H142 WeakPolarHBondContact O-CB 3.26Å
85P97.2Very high96.3Very high0 Ų042 Ų420%020%0.197CC..THydrogen-bonded Turntrans-54.8-31.8-176.9-29.137.5000114.8P135 A140 A141 H142 Y149P85-P135 HydrophobicContact CB-CB 3.82Å; P85-P135 HydrophobicContact CG-CB 3.56Å; P85-P135 HydrophobicContact CG-CG 4.01Å; P85-A140 CarbonylContact O-C 3.6Å; P85-A140 WeakPolarHBondContact O-CA 3.5Å; P85-A141 PolarHBondContact O-N 3.32Å; P85-H142 PolarHBondContact O-N 3.21Å; P85-Y149 HydrophobicContact CG-CG 4.32Å
86N96.8Very high96.1Very high3 Ų340.9 Ų40.92%0.01619%0.192CC..THydrogen-bonded Turntrans-109.416.5-176.6-52.8103.3000114.6H84 C94 L131 P135 N136 S139H84-N86 PolarHBondContact ND1-N 3.43Å; H84-N86 PolarHBondContact O-N 2.94Å; H84-N86 VanDerWaalsContact O-N 3.09Å; N86-C94 PolarHBondContact O-N 3.07Å; N86-L131 HydrophobicContact CB-CD1 3.94Å; N86-L131 HydrophobicContact CB-CD2 3.71Å; N86-L131 HydrophobicContact CB-CG 4.01Å; N86-P135 WeakPolarHBondContact OD1-CA 3.13Å; N86-P135 WeakPolarHBondContact OD1-CB 3.36Å; N86-N136 PolarHBondContact ND2-O 3.28Å; N86-N136 PolarHBondContact OD1-N 2.94Å; N86-N136 PolarHBondContact OD1-O 2.79Å; N86-S139 PolarHBondContact ND2-O 3.24Å
87I97.3Very high95.9Very high1 Ų141.2 Ų41.21%0.00519%0.194CC..BIsolated β-bridgetrans-121.8120.6173.7-56.6170.7000107.7F78 M82 H84 G91 E92 V93 L132 H142F78-I87 HydrophobicContact CD2-CD1 3.62Å; F78-I87 HydrophobicContact CD2-CG1 4.28Å; F78-I87 HydrophobicContact CD2-CG2 4.17Å; F78-I87 HydrophobicContact CE2-CD1 3.41Å; F78-I87 VanDerWaalsContact CE2-CD1 3.41Å; F78-I87 HydrophobicContact CE2-CG1 4.22Å; F78-I87 HydrophobicContact CG-CD1 4.43Å; F78-I87 HydrophobicContact CZ-CD1 4.07Å; M82-I87 HydrophobicContact CB-CB 4.31Å; M82-I87 HydrophobicContact CB-CD1 3.91Å; M82-I87 HydrophobicContact CB-CG2 3.92Å; M82-I87 HydrophobicContact CE-CD1 3.76Å; M82-I87 HydrophobicContact CG-CD1 3.97Å; M82-I87 HydrophobicContact CG-CG2 4.4Å; H84-I87 HydrophobicContact CB-CB 4.05Å; H84-I87 HydrophobicContact CB-CD1 3.72Å; H84-I87 HydrophobicContact CB-CG1 3.91Å; H84-I87 PolarHBondContact O-N 3.06Å; I87-G91 WeakPolarHBondContact CG2-O 3.5Å; I87-E92 WeakPolarHBondContact CA-O 3.44Å; I87-V93 HydrophobicContact CG1-CG2 4.45Å; I87-L132 HydrophobicContact CD1-CD2 4.21Å; I87-H142 WeakPolarHBondContact O-CB 3.26Å
88Y96.7Very high95.8Very high97 Ų9741.3 Ų41.338%0.3820%0.195SC..  trans-62.9160.9176.7-71.2-77.5000111.2N90 G91 E92 C94 A141Y88-N90 WeakPolarHBondContact CB-OD1 3.46Å; Y88-N90 PolarHBondContact O-N 3.48Å; Y88-N90 VanDerWaalsContact O-N 3.15Å; Y88-G91 WeakPolarHBondContact O-CA 3.47Å; Y88-G91 PolarHBondContact O-N 2.97Å; Y88-E92 HydrophobicContact CD2-CB 3.94Å; Y88-E92 HydrophobicContact CD2-CG 4.24Å; Y88-E92 WeakPolarHBondContact CD2-O 3.06Å; Y88-E92 PolarHBondContact N-O 3.36Å; Y88-C94 HydrophobicContact CD2-CB 4.4Å; Y88-C94 HydrophobicContact CE2-CB 3.78Å; Y88-A141 HydrophobicContact CD1-CB 3.81Å; Y88-A141 WeakPolarHBondContact CD1-O 3.41Å; Y88-A141 HydrophobicContact CD2-CB 3.9Å; Y88-A141 HydrophobicContact CE1-CB 3.74Å; Y88-A141 HydrophobicContact CE2-CB 3.85Å; Y88-A141 HydrophobicContact CG-CB 3.89Å
89E94.5Very high95.6Very high168 Ų16843.5 Ų43.579%0.78521%0.205SC*.THydrogen-bonded Turntrans-61.3-24.6179.2-63.6-173.8139.900113.5G91E89-G91 PolarHBondContact O-N 3.25Å
90N94.9Very high95.4Very high102 Ų10244.9 Ų44.955%0.54522%0.219SC..THydrogen-bonded Turntrans-79.3-2.1173.769.6-11.1000113.5Y88 E92Y88-N90 WeakPolarHBondContact CB-OD1 3.46Å; Y88-N90 PolarHBondContact O-N 3.48Å; Y88-N90 VanDerWaalsContact O-N 3.15Å; N90-E92 VanDerWaalsContact OD1-CB 3.27Å; N90-E92 WeakPolarHBondContact OD1-CB 3.4Å; N90-E92 PolarHBondContact OD1-N 2.94Å
91G96.5Very high95.1Very high5 Ų547.8 Ų47.85%0.05224%0.238CC..SBendtrans90.9-6.7-177.900000115.2H77 F78 I87 Y88 E89 V93H77-G91 CarbonylContact C-O 3.42Å; H77-G91 WeakPolarHBondContact CA-O 3.3Å; F78-G91 PolarHBondContact N-O 3.45Å; I87-G91 WeakPolarHBondContact CG2-O 3.5Å; Y88-G91 WeakPolarHBondContact O-CA 3.47Å; Y88-G91 PolarHBondContact O-N 2.97Å; E89-G91 PolarHBondContact O-N 3.25Å; G91-V93 PolarHBondContact O-N 2.9Å
92E97.2Very high94.5Very high72 Ų7241.2 Ų41.234%0.33623%0.226SC..BIsolated β-bridgetrans-64.2131.9179.5-173.3173.8-166.600111.3I87 Y88 N90I87-E92 WeakPolarHBondContact CA-O 3.44Å; Y88-E92 HydrophobicContact CD2-CB 3.94Å; Y88-E92 HydrophobicContact CD2-CG 4.24Å; Y88-E92 WeakPolarHBondContact CD2-O 3.06Å; Y88-E92 PolarHBondContact N-O 3.36Å; N90-E92 VanDerWaalsContact OD1-CB 3.27Å; N90-E92 WeakPolarHBondContact OD1-CB 3.4Å; N90-E92 PolarHBondContact OD1-N 2.94Å
93V96.7Very high93.8Very high9 Ų946.6 Ų46.66%0.05526%0.255CS..BIsolated β-bridgetrans-88124.9-179.7-176.30000110M76 F78 I87 G91 I95 L131M76-V93 HydrophobicContact CB-CB 4.31Å; M76-V93 HydrophobicContact CB-CG2 4.16Å; M76-V93 HydrophobicContact CG-CG2 3.99Å; M76-V93 PolarHBondContact O-N 3.31Å; M76-V93 HydrophobicContact SD-CG2 4.36Å; F78-V93 HydrophobicContact CD2-CG2 3.59Å; F78-V93 HydrophobicContact CE2-CG2 3.55Å; I87-V93 HydrophobicContact CG1-CG2 4.45Å; G91-V93 PolarHBondContact O-N 2.9Å; V93-I95 HydrophobicContact CG1-CB 4.44Å; V93-I95 HydrophobicContact CG1-CG2 3.98Å; V93-L131 HydrophobicContact CG1-CD2 4.02Å
94C94.9Very high93Very high18 Ų1847.7 Ų47.712%0.12226%0.264CS..  trans-100.3102.1174.5-1700000109.8N86 Y88 A141N86-C94 PolarHBondContact O-N 3.07Å; Y88-C94 HydrophobicContact CD2-CB 4.4Å; Y88-C94 HydrophobicContact CE2-CB 3.78Å; C94-A141 HydrophobicContact CB-CB 3.77Å
95I93.8Very high92.2Very high21 Ų2154 Ų5411%0.10831%0.305CS..  trans-145.3139.6176.4-173.2169.1000109.5V93 I97 L98 L131V93-I95 HydrophobicContact CG1-CB 4.44Å; V93-I95 HydrophobicContact CG1-CG2 3.98Å; I95-I97 HydrophobicContact CD1-CG2 4.28Å; I95-I97 HydrophobicContact CG1-CG2 4.14Å; I95-I97 HydrophobicContact CG2-CG2 3.86Å; I95-I97 PolarHBondContact O-N 2.98Å; I95-I97 VanDerWaalsContact O-N 3.09Å; I95-L98 HydrophobicContact CG2-CB 4.24Å; I95-L98 HydrophobicContact CG2-CD1 3.77Å; I95-L98 HydrophobicContact CG2-CG 3.76Å; I95-L98 PolarHBondContact O-N 3.49Å; I95-L131 HydrophobicContact CB-CD2 4.1Å; I95-L131 HydrophobicContact CD1-CB 4.25Å; I95-L131 HydrophobicContact CD1-CD1 4.49Å; I95-L131 HydrophobicContact CD1-CD2 4.17Å; I95-L131 HydrophobicContact CG1-CD2 4.48Å
96S93.3Very high91.4Very high33 Ų3363 Ų6323%0.23135%0.347CS..G310 helixtrans-52.2-38.7-171.863.90000113.4L98 H99 E109 E113 R114S96-L98 PolarHBondContact O-N 3.3Å; S96-L98 VanDerWaalsContact O-N 3.12Å; S96-H99 VanDerWaalsContact O-CB 3.3Å; S96-H99 WeakPolarHBondContact O-CB 3.48Å; S96-H99 PolarHBondContact O-N 3.14Å; S96-E109 WeakPolarHBondContact CB-OE1 3.37Å; S96-E113 CarbonylContact C-O 3.36Å; S96-E113 VanDerWaalsContact CB-O 3.32Å; S96-E113 WeakPolarHBondContact CB-O 3.48Å; S96-E113 PolarHBondContact OG-O 2.94Å; S96-R114 WeakPolarHBondContact O-CA 3.45Å
97I94.3Very high90.6Very high8 Ų865 Ų654%0.04136%0.361CS..G310 helixtrans-60.7-24.9179.8-166176.2000112.6I95 E113 W115 Q119I95-I97 HydrophobicContact CD1-CG2 4.28Å; I95-I97 HydrophobicContact CG1-CG2 4.14Å; I95-I97 HydrophobicContact CG2-CG2 3.86Å; I95-I97 PolarHBondContact O-N 2.98Å; I95-I97 VanDerWaalsContact O-N 3.09Å; I97-E113 WeakPolarHBondContact CA-O 3.35Å; I97-E113 PolarHBondContact N-O 3.31Å; I97-E113 VanDerWaalsContact N-O 3.09Å; I97-W115 HydrophobicContact CG1-CE3 4.38Å; I97-W115 WeakPolarHBondContact O-CA 3.43Å; I97-W115 VanDerWaalsContact O-CB 3.28Å; I97-W115 WeakPolarHBondContact O-CB 3.49Å; I97-W115 VanDerWaalsContact O-CE3 3.27Å; I97-W115 PolarHBondContact O-N 2.95Å; I97-Q119 HydrophobicContact CD1-CB 4.42Å; I97-Q119 HydrophobicContact CD1-CG 4.15Å; I97-Q119 HydrophobicContact CG1-CB 4.47Å; I97-Q119 HydrophobicContact CG1-CG 3.99Å
98L96Very high89.9Confident21 Ų2168.4 Ų68.411%0.1140%0.397CS..G310 helixtrans-93.7-3.6176.8-60.7-178.9000113.2P73 P74 M76 I95 S96 I124P73-L98 WeakPolarHBondContact CG-O 3.33Å; P74-L98 HydrophobicContact CG-CD2 4.25Å; M76-L98 HydrophobicContact CB-CD1 3.88Å; I95-L98 HydrophobicContact CG2-CB 4.24Å; I95-L98 HydrophobicContact CG2-CD1 3.77Å; I95-L98 HydrophobicContact CG2-CG 3.76Å; I95-L98 PolarHBondContact O-N 3.49Å; S96-L98 PolarHBondContact O-N 3.3Å; S96-L98 VanDerWaalsContact O-N 3.12Å; L98-I124 HydrophobicContact CD2-CD1 3.74Å; L98-I124 HydrophobicContact CD2-CG1 3.88Å; L98-I124 HydrophobicContact CD2-CG2 4.05Å
99H93.8Very high89.3Confident54 Ų5465.9 Ų65.925%0.2539%0.389CS..SBendtrans-71.4148.8173.7-63168.2000110.7S96 E109 W115S96-H99 VanDerWaalsContact O-CB 3.3Å; S96-H99 WeakPolarHBondContact O-CB 3.48Å; S96-H99 PolarHBondContact O-N 3.14Å; H99-E109 IonicContact CE1-OE1 2.98Å; H99-E109 PolarHBondContact CE1-OE1 2.66Å; H99-E109 IonicContact CE1-OE2 2.95Å; H99-E109 IonicContact CG-OE2 2.65Å; H99-E109 IonicContact ND1-OE1 3.62Å; H99-E109 PolarHBondContact ND1-OE1 3.47Å; H99-E109 IonicContact ND1-OE2 3.8Å; H99-E109 PolarHBondContact ND1-OE2 3.38Å; H99-W115 WeakPolarHBondContact O-CB 3.16Å; H99-W115 PolarHBondContact O-N 3.26Å
100S91.9Very high88.9Confident85 Ų8562.6 Ų62.659%0.59438%0.376SS*.PPolyproline II helixtrans-55.4148.2-178.6-61.70000112.3
101P88.3Confident88.3Confident66 Ų6660.8 Ų60.843%0.42937%0.37SS..SBendtrans-61.2154.2179.3-22.433.3000113.1Y71 W115Y71-P101 WeakPolarHBondContact O-CG 3.39Å; P101-W115 WeakPolarHBondContact CA-O 3.33Å; P101-W115 WeakPolarHBondContact CB-O 3.11Å; P101-W115 HydrophobicContact CG-CB 4.41Å
102G82.4Confident87.8Confident41 Ų4164.6 Ų64.642%0.42340%0.395SS..SBendtrans107.9168.7171.700000113.9D104 R114G102-D104 PolarHBondContact O-N 3.34Å; G102-R114 WeakPolarHBondContact O-CD 3.28Å; G102-R114 PolarHBondContact O-NH1 3.16Å
103D79.4Confident87.3Confident134 Ų13465.3 Ų65.372%0.71740%0.399SS*.  trans-74.5123.9179.7-57.3-22.1000109.5P111D103-P111 WeakPolarHBondContact OD1-CG 3.38Å
104D81.2Confident87.2Confident63 Ų6365.8 Ų65.834%0.33740%0.399SS..  trans-12197.3169.1175.66000107.9G102 Q106 S107 R114G102-D104 PolarHBondContact O-N 3.34Å; D104-Q106 PolarHBondContact O-N 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.49Å; D104-Q106 PolarHBondContact OD1-N 3.29Å; D104-S107 PolarHBondContact O-N 3.11Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact O-OG 3.38Å; D104-S107 VanDerWaalsContact O-OG 3.05Å; D104-R114 VanDerWaalsContact CB-NH2 3.29Å; D104-R114 IonicContact OD2-CZ 2.72Å; D104-R114 IonicContact OD2-NH1 3Å; D104-R114 IonicContact OD2-NH2 3.56Å; D104-R114 PolarHBondContact OD2-NH2 2.84Å
105P78.9Confident87.2Confident134 Ų13465 Ų6587%0.8739%0.394SS*.THydrogen-bonded Turntrans-58.8-16.2-178.4-2433.8000113.7
106Q80.9Confident87.3Confident187 Ų18765.9 Ų65.987%0.87440%0.399SS*.THydrogen-bonded Turntrans-89.9-19.7-177.4-164178.7-48.600113.1D104D104-Q106 PolarHBondContact O-N 3.33Å; D104-Q106 WeakPolarHBondContact OD1-CB 3.49Å; D104-Q106 PolarHBondContact OD1-N 3.29Å
107S80.7Confident87.3Confident45 Ų4567.4 Ų67.432%0.31541%0.408SS..THydrogen-bonded Turntrans-80.4-28.1-176.767.90000113.8D104 E109 R114D104-S107 PolarHBondContact O-N 3.11Å; D104-S107 VanDerWaalsContact O-N 3.14Å; D104-S107 PolarHBondContact O-OG 3.38Å; D104-S107 VanDerWaalsContact O-OG 3.05Å; S107-E109 PolarHBondContact O-N 3.37Å; S107-E109 WeakPolarHBondContact OG-CB 3.37Å; S107-E109 PolarHBondContact OG-N 3.41Å; S107-E109 VanDerWaalsContact OG-N 3.11Å; S107-R114 PolarHBondContact OG-NH2 2.97Å
108G80.9Confident87.3Confident74 Ų7472.5 Ų72.576%0.76344%0.44SS*.  trans73.96.1-170.100000114.4
109E85.7Confident87.3Confident44 Ų4473.1 Ų73.121%0.20644%0.442CS..  trans-87.5142.9179.2-59.8170.9155.200110.8S96 H99 S107 R114S96-E109 WeakPolarHBondContact CB-OE1 3.37Å; H99-E109 IonicContact CE1-OE1 2.98Å; H99-E109 PolarHBondContact CE1-OE1 2.66Å; H99-E109 IonicContact CE1-OE2 2.95Å; H99-E109 IonicContact CG-OE2 2.65Å; H99-E109 IonicContact ND1-OE1 3.62Å; H99-E109 PolarHBondContact ND1-OE1 3.47Å; H99-E109 IonicContact ND1-OE2 3.8Å; H99-E109 PolarHBondContact ND1-OE2 3.38Å; S107-E109 PolarHBondContact O-N 3.37Å; S107-E109 WeakPolarHBondContact OG-CB 3.37Å; S107-E109 PolarHBondContact OG-N 3.41Å; S107-E109 VanDerWaalsContact OG-N 3.11Å; E109-R114 HydrophobicContact CB-CG 4.34Å; E109-R114 IonicContact OE2-CZ 3.11Å; E109-R114 VanDerWaalsContact OE2-CZ 3.3Å; E109-R114 IonicContact OE2-NE 3.78Å; E109-R114 PolarHBondContact OE2-NE 2.99Å; E109-R114 IonicContact OE2-NH2 2.94Å; E109-R114 PolarHBondContact OE2-NH2 3.43Å
110L85Confident87.4Confident98 Ų9873 Ų7351%0.51344%0.443SS..  trans-73.3147172-63.6173.4000110.2S112 E113 R114L110-S112 PolarHBondContact O-N 3.33Å; L110-S112 VanDerWaalsContact O-N 3.11Å; L110-E113 HydrophobicContact CB-CG 3.99Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CA 3.31Å; L110-E113 WeakPolarHBondContact O-CB 3.46Å; L110-E113 PolarHBondContact O-N 3.43Å; L110-R114 PolarHBondContact O-N 3.35Å
111P82Confident87.7Confident65 Ų6569 Ų6942%0.42242%0.415SS..G310 helixtrans-58.6-28.3176-26.637.3000113.3D103 E113 R114D103-P111 WeakPolarHBondContact OD1-CG 3.38Å; P111-E113 VanDerWaalsContact C-N 3.29Å; P111-E113 PolarHBondContact O-N 2.87Å; P111-R114 PolarHBondContact O-N 3.19Å
112S85.7Confident88.1Confident84 Ų8469.5 Ų69.559%0.58741%0.408SS*.G310 helixtrans-70.1-22.6174.152.20000113.9L110 R114L110-S112 PolarHBondContact O-N 3.33Å; L110-S112 VanDerWaalsContact O-N 3.11Å; S112-R114 VanDerWaalsContact C-N 3.35Å
113E88.2Confident88.7Confident87 Ų8769.3 Ų69.341%0.40740%0.399SS..G310 helixtrans-85.9-12.4177-64.3170.6155.900112.2S96 I97 L110 P111S96-E113 CarbonylContact C-O 3.36Å; S96-E113 VanDerWaalsContact CB-O 3.32Å; S96-E113 WeakPolarHBondContact CB-O 3.48Å; S96-E113 PolarHBondContact OG-O 2.94Å; I97-E113 WeakPolarHBondContact CA-O 3.35Å; I97-E113 PolarHBondContact N-O 3.31Å; I97-E113 VanDerWaalsContact N-O 3.09Å; L110-E113 HydrophobicContact CB-CG 3.99Å; L110-E113 PolarHBondContact N-OE2 3.33Å; L110-E113 WeakPolarHBondContact O-CA 3.31Å; L110-E113 WeakPolarHBondContact O-CB 3.46Å; L110-E113 PolarHBondContact O-N 3.43Å; P111-E113 VanDerWaalsContact C-N 3.29Å; P111-E113 PolarHBondContact O-N 2.87Å
114R93Very high89.5Confident19 Ų1963 Ų637%0.07237%0.365CS..SBendtrans-93.5168.8178.5-69.5-173.6159.3-154.4-6.7112.8S96 G102 D104 S107 E109 L110 P111 S112 N116S96-R114 WeakPolarHBondContact O-CA 3.45Å; G102-R114 WeakPolarHBondContact O-CD 3.28Å; G102-R114 PolarHBondContact O-NH1 3.16Å; D104-R114 VanDerWaalsContact CB-NH2 3.29Å; D104-R114 IonicContact OD2-CZ 2.72Å; D104-R114 IonicContact OD2-NH1 3Å; D104-R114 IonicContact OD2-NH2 3.56Å; D104-R114 PolarHBondContact OD2-NH2 2.84Å; S107-R114 PolarHBondContact OG-NH2 2.97Å; E109-R114 HydrophobicContact CB-CG 4.34Å; E109-R114 IonicContact OE2-CZ 3.11Å; E109-R114 VanDerWaalsContact OE2-CZ 3.3Å; E109-R114 IonicContact OE2-NE 3.78Å; E109-R114 PolarHBondContact OE2-NE 2.99Å; E109-R114 IonicContact OE2-NH2 2.94Å; E109-R114 PolarHBondContact OE2-NH2 3.43Å; L110-R114 PolarHBondContact O-N 3.35Å; P111-R114 PolarHBondContact O-N 3.19Å; S112-R114 VanDerWaalsContact C-N 3.35Å; R114-N116 PolarHBondContact O-N 3.5Å; R114-N116 PolarHBondContact O-ND2 3.49Å
115W96.6Very high90.2Very high2 Ų260 Ų601%0.00835%0.349CS..  trans-58.5134.1174.7-170.3-101.8000110.9Y69 P70 S72 P73 P74 I97 H99 P101 Q119 I124Y69-W115 HydrophobicContact CD2-CZ2 4.11Å; Y69-W115 AromaticContact CE2-CH2 3.67Å; Y69-W115 HydrophobicContact CE2-CH2 3.67Å; Y69-W115 AromaticContact CE2-CZ2 3.51Å; Y69-W115 HydrophobicContact CE2-CZ2 3.51Å; P70-W115 HydrophobicContact CB-CZ2 4.23Å; P70-W115 PolarHBondContact O-NE1 2.91Å; S72-W115 VanDerWaalsContact C-NE1 3.34Å; S72-W115 PolarHBondContact O-NE1 3.18Å; P73-W115 HydrophobicContact CB-CB 3.79Å; P73-W115 HydrophobicContact CB-CD2 3.57Å; P73-W115 HydrophobicContact CB-CE3 3.98Å; P73-W115 HydrophobicContact CB-CG 3.48Å; P73-W115 VanDerWaalsContact CB-CG 3.48Å; P73-W115 VanDerWaalsContact CD-CD1 3.5Å; P73-W115 HydrophobicContact CG-CB 3.99Å; P73-W115 HydrophobicContact CG-CG 3.98Å; P74-W115 HydrophobicContact CG-CH2 4.47Å; I97-W115 HydrophobicContact CG1-CE3 4.38Å; I97-W115 WeakPolarHBondContact O-CA 3.43Å; I97-W115 VanDerWaalsContact O-CB 3.28Å; I97-W115 WeakPolarHBondContact O-CB 3.49Å; I97-W115 VanDerWaalsContact O-CE3 3.27Å; I97-W115 PolarHBondContact O-N 2.95Å; H99-W115 WeakPolarHBondContact O-CB 3.16Å; H99-W115 PolarHBondContact O-N 3.26Å; P101-W115 WeakPolarHBondContact CA-O 3.33Å; P101-W115 WeakPolarHBondContact CB-O 3.11Å; P101-W115 HydrophobicContact CG-CB 4.41Å; W115-Q119 HydrophobicContact CD2-CB 4.2Å; W115-Q119 HydrophobicContact CE3-CB 3.66Å; W115-Q119 HydrophobicContact CE3-CG 4.23Å; W115-Q119 HydrophobicContact CH2-CB 3.89Å; W115-Q119 HydrophobicContact CZ2-CB 4.39Å; W115-Q119 HydrophobicContact CZ3-CB 3.48Å; W115-Q119 VanDerWaalsContact CZ3-CB 3.48Å; W115-Q119 HydrophobicContact CZ3-CG 4.48Å; W115-I124 HydrophobicContact CH2-CD1 4.12Å; W115-I124 HydrophobicContact CZ3-CD1 3.68Å; W115-I124 HydrophobicContact CZ3-CG1 3.93Å
116N94Very high90.9Very high39 Ų3958 Ų5821%0.20933%0.331CS..  trans-147.5159.716866.273.9000108.2R114 T118 Q119R114-N116 PolarHBondContact O-N 3.5Å; R114-N116 PolarHBondContact O-ND2 3.49Å; N116-T118 PolarHBondContact O-N 3.29Å; N116-T118 WeakPolarHBondContact OD1-CB 3.39Å; N116-T118 PolarHBondContact OD1-N 2.88Å; N116-T118 PolarHBondContact OD1-OG1 3.15Å; N116-Q119 WeakPolarHBondContact O-CB 3.37Å; N116-Q119 PolarHBondContact O-N 3.31Å
117P94.3Very high91.6Very high66 Ų6650.9 Ų50.943%0.42930%0.302SS..THydrogen-bonded Turntrans-64-2-173.3-23.634.3000116.3P70 Y71P70-P117 HydrophobicContact CG-CB 4.4Å; P70-P117 WeakPolarHBondContact O-CA 3.4Å; Y71-P117 HydrophobicContact CD1-CB 4.45Å; Y71-P117 HydrophobicContact CD1-CG 3.93Å; Y71-P117 HydrophobicContact CE1-CG 4.46Å
118T94.3Very high92.2Very high115 Ų11548.8 Ų48.871%0.70629%0.287SS*.THydrogen-bonded Turntrans-90.8-16.3172.875.70000113N116N116-T118 PolarHBondContact O-N 3.29Å; N116-T118 WeakPolarHBondContact OD1-CB 3.39Å; N116-T118 PolarHBondContact OD1-N 2.88Å; N116-T118 PolarHBondContact OD1-OG1 3.15Å
119Q96.2Very high92.6Very high34 Ų3446.8 Ų46.816%0.15926%0.259CS..  trans-68.2155.1171.1-59.1-65.40.400110.6I97 W115 N116 T123I97-Q119 HydrophobicContact CD1-CB 4.42Å; I97-Q119 HydrophobicContact CD1-CG 4.15Å; I97-Q119 HydrophobicContact CG1-CB 4.47Å; I97-Q119 HydrophobicContact CG1-CG 3.99Å; W115-Q119 HydrophobicContact CD2-CB 4.2Å; W115-Q119 HydrophobicContact CE3-CB 3.66Å; W115-Q119 HydrophobicContact CE3-CG 4.23Å; W115-Q119 HydrophobicContact CH2-CB 3.89Å; W115-Q119 HydrophobicContact CZ2-CB 4.39Å; W115-Q119 HydrophobicContact CZ3-CB 3.48Å; W115-Q119 VanDerWaalsContact CZ3-CB 3.48Å; W115-Q119 HydrophobicContact CZ3-CG 4.48Å; N116-Q119 WeakPolarHBondContact O-CB 3.37Å; N116-Q119 PolarHBondContact O-N 3.31Å; Q119-T123 PolarHBondContact OE1-OG1 3.35Å
120N96.4Very high92.8Very high51 Ų5148 Ų4827%0.27327%0.272SS..  trans-148.7172.4-176.955.964.4000110.2E17 R122 T123 I124E17-N120 WeakPolarHBondContact OE2-CB 3.45Å; N120-R122 PolarHBondContact O-N 3.12Å; N120-R122 VanDerWaalsContact OD1-CB 3.29Å; N120-R122 WeakPolarHBondContact OD1-CB 3.37Å; N120-R122 PolarHBondContact OD1-N 3.38Å; N120-R122 VanDerWaalsContact OD1-N 3.15Å; N120-T123 PolarHBondContact N-OG1 2.84Å; N120-T123 VanDerWaalsContact N-OG1 3.12Å; N120-T123 PolarHBondContact O-N 3.4Å; N120-T123 VanDerWaalsContact O-N 3.1Å; N120-T123 PolarHBondContact O-OG1 3.42Å; N120-T123 PolarHBondContact OD1-N 3.06Å; N120-I124 PolarHBondContact O-N 3.21Å; N120-I124 VanDerWaalsContact O-N 3.16Å
121V97.3Very high93.2Very high0 Ų044.2 Ų44.20%025%0.252CS..Hα-helixtrans-58.9-38-178.3177.70000111.5E17 L21 W42 L63 F65 T123 I124 L125E17-V121 WeakPolarHBondContact OE2-CB 3.43Å; E17-V121 WeakPolarHBondContact OE2-CG2 3.42Å; E17-V121 PolarHBondContact OE2-N 2.93Å; L21-V121 HydrophobicContact CD1-CB 3.91Å; L21-V121 HydrophobicContact CD1-CG1 3.62Å; W42-V121 HydrophobicContact CE3-CG1 4.31Å; W42-V121 HydrophobicContact CE3-CG2 4.42Å; W42-V121 HydrophobicContact CH2-CG2 4.34Å; W42-V121 HydrophobicContact CZ3-CB 4.2Å; W42-V121 HydrophobicContact CZ3-CG1 4Å; W42-V121 HydrophobicContact CZ3-CG2 3.84Å; L63-V121 HydrophobicContact CD1-CG1 3.8Å; F65-V121 HydrophobicContact CE1-CG2 3.48Å; F65-V121 VanDerWaalsContact CE1-CG2 3.48Å; F65-V121 HydrophobicContact CZ-CG2 3.53Å; V121-T123 VanDerWaalsContact C-N 3.34Å; V121-T123 PolarHBondContact O-N 2.57Å; V121-I124 WeakPolarHBondContact O-CB 3.27Å; V121-I124 PolarHBondContact O-N 3.01Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; V121-L125 HydrophobicContact CG1-CG 4.18Å; V121-L125 WeakPolarHBondContact O-CG 3.35Å; V121-L125 PolarHBondContact O-N 3.1Å
122R96.4Very high93.6Very high77 Ų7741.8 Ų41.829%0.29124%0.236SC..Hα-helixtrans-59.6-43.7176.8179-177-57.4-79.8-5.1111.6D20 L21 F24 V26 N120 I124 L125 L126D20-R122 PolarHBondContact O-NH2 3.09Å; L21-R122 HydrophobicContact CD2-CB 4.21Å; F24-R122 PolarHBondContact O-NH1 2.89Å; F24-R122 PolarHBondContact O-NH2 2.9Å; V26-R122 HydrophobicContact CG2-CG 3.88Å; N120-R122 PolarHBondContact O-N 3.12Å; N120-R122 VanDerWaalsContact OD1-CB 3.29Å; N120-R122 WeakPolarHBondContact OD1-CB 3.37Å; N120-R122 PolarHBondContact OD1-N 3.38Å; N120-R122 VanDerWaalsContact OD1-N 3.15Å; R122-I124 VanDerWaalsContact C-N 3.34Å; R122-L125 PolarHBondContact O-N 3.3Å; R122-L126 HydrophobicContact CG-CD1 4.1Å; R122-L126 HydrophobicContact CG-CG 4.5Å; R122-L126 WeakPolarHBondContact O-CG 3.46Å; R122-L126 PolarHBondContact O-N 3.12Å; R122-L126 VanDerWaalsContact O-N 3.09Å
123T95.6Very high93.6Very high38 Ų3840.8 Ų40.823%0.23322%0.224CC..Hα-helixtrans-65-39.7178.359.60000111.3Q119 N120 V121 L125 L126 S127Q119-T123 PolarHBondContact OE1-OG1 3.35Å; N120-T123 PolarHBondContact N-OG1 2.84Å; N120-T123 VanDerWaalsContact N-OG1 3.12Å; N120-T123 PolarHBondContact O-N 3.4Å; N120-T123 VanDerWaalsContact O-N 3.1Å; N120-T123 PolarHBondContact O-OG1 3.42Å; N120-T123 PolarHBondContact OD1-N 3.06Å; V121-T123 VanDerWaalsContact C-N 3.34Å; V121-T123 PolarHBondContact O-N 2.57Å; T123-L125 PolarHBondContact O-N 3.5Å; T123-L126 PolarHBondContact O-N 2.88Å; T123-S127 WeakPolarHBondContact O-CB 3.15Å; T123-S127 PolarHBondContact O-N 3.44Å; T123-S127 PolarHBondContact O-OG 3.34Å
124I96.9Very high93.7Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-56.5-51.7172.7-59.9168.9000111.1P74 M76 L98 W115 N120 V121 R122 L126 S127 V128P74-I124 HydrophobicContact CG-CD1 3.38Å; M76-I124 HydrophobicContact SD-CG2 4.33Å; L98-I124 HydrophobicContact CD2-CD1 3.74Å; L98-I124 HydrophobicContact CD2-CG1 3.88Å; L98-I124 HydrophobicContact CD2-CG2 4.05Å; W115-I124 HydrophobicContact CH2-CD1 4.12Å; W115-I124 HydrophobicContact CZ3-CD1 3.68Å; W115-I124 HydrophobicContact CZ3-CG1 3.93Å; N120-I124 PolarHBondContact O-N 3.21Å; N120-I124 VanDerWaalsContact O-N 3.16Å; V121-I124 WeakPolarHBondContact O-CB 3.27Å; V121-I124 PolarHBondContact O-N 3.01Å; R122-I124 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 3.17Å; I124-S127 PolarHBondContact O-N 3.32Å; I124-V128 HydrophobicContact CG2-CG2 4.33Å; I124-V128 VanDerWaalsContact O-CG2 3.31Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.96Å
125L95.8Very high93.7Very high0 Ų043.3 Ų43.30%024%0.237CC..Hα-helixtrans-61.1-44.3-176.5-61.4-175.4000111.7L21 V26 F29 V31 V44 V121 R122 T123 S127 V128 I129L21-L125 HydrophobicContact CD2-CD1 4.34Å; V26-L125 HydrophobicContact CB-CD1 4.46Å; V26-L125 HydrophobicContact CG2-CD1 4.26Å; F29-L125 HydrophobicContact CB-CD1 4.07Å; F29-L125 HydrophobicContact CD1-CB 4.02Å; F29-L125 HydrophobicContact CD1-CD1 3.83Å; F29-L125 HydrophobicContact CD1-CD2 3.63Å; F29-L125 HydrophobicContact CD1-CG 4Å; F29-L125 HydrophobicContact CE1-CB 4.03Å; F29-L125 HydrophobicContact CE1-CD2 3.76Å; F29-L125 HydrophobicContact CE1-CG 4.3Å; F29-L125 HydrophobicContact CG-CB 4.33Å; F29-L125 HydrophobicContact CG-CD1 4Å; F29-L125 HydrophobicContact CZ-CB 4.43Å; V31-L125 HydrophobicContact CG2-CD1 3.86Å; V44-L125 HydrophobicContact CG1-CD2 4.03Å; V121-L125 HydrophobicContact CG1-CD1 4.29Å; V121-L125 HydrophobicContact CG1-CG 4.18Å; V121-L125 WeakPolarHBondContact O-CG 3.35Å; V121-L125 PolarHBondContact O-N 3.1Å; R122-L125 PolarHBondContact O-N 3.3Å; T123-L125 PolarHBondContact O-N 3.5Å; L125-S127 PolarHBondContact O-N 3.09Å; L125-V128 PolarHBondContact O-N 3.21Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.02Å; L125-I129 VanDerWaalsContact O-N 3.11Å
126L93.5Very high93.4Very high92 Ų9246.6 Ų46.648%0.48226%0.255SS..Hα-helixtrans-62.2-42.4176.6-68.3173.8000111.8V26 R122 T123 I124 V128 I129 S130V26-L126 HydrophobicContact CG1-CD2 3.83Å; V26-L126 HydrophobicContact CG1-CG 4.45Å; R122-L126 HydrophobicContact CG-CD1 4.1Å; R122-L126 HydrophobicContact CG-CG 4.5Å; R122-L126 WeakPolarHBondContact O-CG 3.46Å; R122-L126 PolarHBondContact O-N 3.12Å; R122-L126 VanDerWaalsContact O-N 3.09Å; T123-L126 PolarHBondContact O-N 2.88Å; I124-L126 PolarHBondContact O-N 3.17Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.16Å; L126-I129 HydrophobicContact CD2-CD1 4.48Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-S130 PolarHBondContact O-N 3.03Å; L126-S130 VanDerWaalsContact O-N 3.16Å
127S94.1Very high93.2Very high38 Ų3847.5 Ų47.527%0.26626%0.26SS..Hα-helixtrans-63.1-37.4176.2-63.10000112.3T123 I124 L125 S130 L131T123-S127 WeakPolarHBondContact O-CB 3.15Å; T123-S127 PolarHBondContact O-N 3.44Å; T123-S127 PolarHBondContact O-OG 3.34Å; I124-S127 PolarHBondContact O-N 3.32Å; L125-S127 PolarHBondContact O-N 3.09Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.48Å; S127-L131 WeakPolarHBondContact O-CB 3.49Å; S127-L131 PolarHBondContact O-N 3.18Å
128V94Very high92.7Very high2 Ų252.9 Ų52.91%0.01228%0.279CS..Hα-helixtrans-66.8-39.9176.6171.80000112M76 F78 I124 L125 L126 S130 L131 L132M76-V128 HydrophobicContact CE-CG1 4.13Å; M76-V128 HydrophobicContact CE-CG2 4.27Å; M76-V128 HydrophobicContact SD-CG2 3.65Å; F78-V128 HydrophobicContact CZ-CG1 4.35Å; I124-V128 HydrophobicContact CG2-CG2 4.33Å; I124-V128 VanDerWaalsContact O-CG2 3.31Å; I124-V128 WeakPolarHBondContact O-CG2 3.49Å; I124-V128 PolarHBondContact O-N 2.96Å; L125-V128 PolarHBondContact O-N 3.21Å; L126-V128 VanDerWaalsContact C-N 3.32Å; L126-V128 PolarHBondContact O-N 3.16Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 3.39Å; V128-L131 PolarHBondContact O-N 3.35Å; V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 HydrophobicContact CG1-CG 4.46Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 3.1Å
129I89.6Confident92.3Very high31 Ų3150.9 Ų50.916%0.15927%0.269CS..Hα-helixtrans-59.2-47.6173.6-61170.2000110.5V26 F29 P49 L125 L126 L131 L132 N133V26-I129 HydrophobicContact CG1-CD1 4.31Å; F29-I129 HydrophobicContact CD2-CD1 3.96Å; F29-I129 HydrophobicContact CD2-CG1 4.3Å; F29-I129 HydrophobicContact CE2-CD1 3.22Å; F29-I129 HydrophobicContact CE2-CG1 3.15Å; F29-I129 HydrophobicContact CZ-CD1 3.99Å; F29-I129 HydrophobicContact CZ-CG1 3.41Å; F29-I129 VanDerWaalsContact CZ-CG1 3.41Å; P49-I129 HydrophobicContact CG-CG2 4.34Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.02Å; L125-I129 VanDerWaalsContact O-N 3.11Å; L126-I129 HydrophobicContact CD2-CD1 4.48Å; L126-I129 PolarHBondContact O-N 2.86Å; I129-L131 VanDerWaalsContact C-N 3.29Å; I129-L131 PolarHBondContact O-N 3.27Å; I129-L132 PolarHBondContact O-N 3.46Å; I129-N133 PolarHBondContact O-N 3.2Å; I129-N133 PolarHBondContact O-ND2 3.1Å
130S90.7Very high92.1Very high70 Ų7050.9 Ų50.949%0.4928%0.275SS..Hα-helixtrans-58.4-45.6178.7-1660000110.8L126 S127 V128 L132 N133 E134L126-S130 PolarHBondContact O-N 3.03Å; L126-S130 VanDerWaalsContact O-N 3.16Å; S127-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact O-N 3.48Å; V128-S130 VanDerWaalsContact C-N 3.32Å; V128-S130 PolarHBondContact O-N 3.39Å; S130-L132 PolarHBondContact O-N 2.98Å; S130-N133 PolarHBondContact O-N 2.61Å; S130-E134 PolarHBondContact O-N 3.14Å
131L91.7Very high92Very high18 Ų1849.3 Ų49.39%0.09427%0.269CS..Hα-helixtrans-63-39-179.9-168.971.6000112.9H84 N86 V93 I95 S127 V128 I129 N133 E134 P135H84-L131 PolarHBondContact CE1-O 2.99Å; H84-L131 PolarHBondContact NE2-O 3.29Å; H84-L131 VanDerWaalsContact NE2-O 3.07Å; N86-L131 HydrophobicContact CB-CD1 3.94Å; N86-L131 HydrophobicContact CB-CD2 3.71Å; N86-L131 HydrophobicContact CB-CG 4.01Å; V93-L131 HydrophobicContact CG1-CD2 4.02Å; I95-L131 HydrophobicContact CB-CD2 4.1Å; I95-L131 HydrophobicContact CD1-CB 4.25Å; I95-L131 HydrophobicContact CD1-CD1 4.49Å; I95-L131 HydrophobicContact CD1-CD2 4.17Å; I95-L131 HydrophobicContact CG1-CD2 4.48Å; S127-L131 WeakPolarHBondContact O-CB 3.49Å; S127-L131 PolarHBondContact O-N 3.18Å; V128-L131 PolarHBondContact O-N 3.35Å; I129-L131 VanDerWaalsContact C-N 3.29Å; I129-L131 PolarHBondContact O-N 3.27Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.48Å; L131-E134 CarbonylContact O-C 3.52Å; L131-P135 WeakPolarHBondContact O-CA 3.29Å
132L90.5Very high91.9Very high14 Ų1450.3 Ų50.37%0.07327%0.274CS..Hα-helixtrans-65.8-32.6177.3-73.3172.3000112.5Y54 F78 M82 I87 V128 I129 S130Y54-L132 HydrophobicContact CE1-CD2 4.48Å; Y54-L132 HydrophobicContact CE2-CB 4.38Å; Y54-L132 HydrophobicContact CE2-CD2 4.49Å; Y54-L132 VanDerWaalsContact CE2-O 3.29Å; Y54-L132 WeakPolarHBondContact CE2-O 3.44Å; F78-L132 HydrophobicContact CZ-CD1 4.47Å; F78-L132 HydrophobicContact CZ-CD2 4.47Å; M82-L132 HydrophobicContact CE-CD2 3.84Å; I87-L132 HydrophobicContact CD1-CD2 4.21Å; V128-L132 HydrophobicContact CG1-CD1 4.23Å; V128-L132 HydrophobicContact CG1-CG 4.46Å; V128-L132 WeakPolarHBondContact O-CG 3.34Å; V128-L132 PolarHBondContact O-N 3.1Å; I129-L132 PolarHBondContact O-N 3.46Å; S130-L132 PolarHBondContact O-N 2.98Å
133N87Confident91.8Very high63 Ų6351.2 Ų51.234%0.33729%0.288SS..Hα-helixtrans-82.2-41.2178.4-70.7-41.1000112.3T52 I129 S130 L131T52-N133 WeakPolarHBondContact CG2-OD1 3.43Å; I129-N133 PolarHBondContact O-N 3.2Å; I129-N133 PolarHBondContact O-ND2 3.1Å; S130-N133 PolarHBondContact O-N 2.61Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.48Å
134E90.6Very high91.9Very high146 Ų14654.4 Ų54.468%0.68230%0.303SS*.SBendtrans-129.886-176.5-64.3-170.816300109.8S130 L131S130-E134 PolarHBondContact O-N 3.14Å; L131-E134 CarbonylContact O-C 3.52Å
135P92.2Very high91.8Very high13 Ų1354.4 Ų54.48%0.08430%0.303CS..  trans-65.5142.4-179.6-1628.5000111.8H84 P85 N86 L131 I137 Y149H84-P135 WeakPolarHBondContact NE2-CG 3.33Å; P85-P135 HydrophobicContact CB-CB 3.82Å; P85-P135 HydrophobicContact CG-CB 3.56Å; P85-P135 HydrophobicContact CG-CG 4.01Å; N86-P135 WeakPolarHBondContact OD1-CA 3.13Å; N86-P135 WeakPolarHBondContact OD1-CB 3.36Å; L131-P135 WeakPolarHBondContact O-CA 3.29Å; P135-I137 PolarHBondContact O-N 3.33Å; P135-Y149 VanDerWaalsContact CD-CZ 3.45Å; P135-Y149 WeakPolarHBondContact CD-OH 3.12Å; P135-Y149 HydrophobicContact CG-CD1 4.46Å; P135-Y149 HydrophobicContact CG-CD2 4.01Å; P135-Y149 HydrophobicContact CG-CE1 4.25Å; P135-Y149 HydrophobicContact CG-CE2 3.75Å; P135-Y149 HydrophobicContact CG-CG 4.35Å
136N90.6Very high91.9Very high72 Ų7254.8 Ų54.839%0.38531%0.306SS..  trans-79.7101.8168.5-179.8-5.6000109.9N86 H138 S139N86-N136 PolarHBondContact ND2-O 3.28Å; N86-N136 PolarHBondContact OD1-N 2.94Å; N86-N136 PolarHBondContact OD1-O 2.79Å; N136-H138 WeakPolarHBondContact OD1-CB 3.49Å; N136-H138 PolarHBondContact OD1-N 3.06Å; N136-S139 PolarHBondContact OD1-N 3.1Å
137I89.3Confident92Very high58 Ų5852.6 Ų52.630%0.29730%0.297SS..  trans-83-9179.160.1172.4000114.5P135 Y149P135-I137 PolarHBondContact O-N 3.33Å; I137-Y149 HydrophobicContact CG2-CD1 3.7Å; I137-Y149 HydrophobicContact CG2-CE1 4.2Å
138H85Confident92.1Very high179 Ų17951 Ų5183%0.82929%0.285SS*.SBendtrans-78.5-29.3179.5-60.9-68.4000112.4N136N136-H138 WeakPolarHBondContact OD1-CB 3.49Å; N136-H138 PolarHBondContact OD1-N 3.06Å
139S85.5Confident92.3Very high73 Ų7352.1 Ų52.151%0.5129%0.29SS..SBendtrans-129.873.3175-167.90000109.9N86 N136N86-S139 PolarHBondContact ND2-O 3.24Å; N136-S139 PolarHBondContact OD1-N 3.1Å
140A91Very high92.6Very high33 Ų3355.7 Ų55.727%0.27330%0.301SS..  trans-80.3126.8-176.500000111.9P85 H142 S146P85-A140 CarbonylContact O-C 3.6Å; P85-A140 WeakPolarHBondContact O-CA 3.5Å; A140-H142 VanDerWaalsContact C-N 3.34Å; A140-S146 VanDerWaalsContact CB-CB 3.47Å
141A94.4Very high92.8Very high19 Ų1956.2 Ų56.216%0.15730%0.295CS..SBendtrans-72.3-29.7168.200000112.2P85 Y88 C94P85-A141 PolarHBondContact O-N 3.32Å; Y88-A141 HydrophobicContact CD1-CB 3.81Å; Y88-A141 WeakPolarHBondContact CD1-O 3.41Å; Y88-A141 HydrophobicContact CD2-CB 3.9Å; Y88-A141 HydrophobicContact CE1-CB 3.74Å; Y88-A141 HydrophobicContact CE2-CB 3.85Å; Y88-A141 HydrophobicContact CG-CB 3.89Å; C94-A141 HydrophobicContact CB-CB 3.77Å
142H95.4Very high93.1Very high20 Ų2057.4 Ų57.49%0.09330%0.298CS..SBendtrans-126.699.6180-169.3168.6000109.8Y83 H84 P85 I87 A140 D144 A145 S146Y83-H142 AromaticContact CD2-CE1 3.56Å; Y83-H142 AromaticContact CE2-CE1 3.7Å; Y83-H142 AromaticContact CE2-NE2 3.85Å; H84-H142 WeakPolarHBondContact O-CB 3.26Å; P85-H142 PolarHBondContact O-N 3.21Å; I87-H142 WeakPolarHBondContact O-CB 3.26Å; A140-H142 VanDerWaalsContact C-N 3.34Å; H142-D144 PolarHBondContact O-N 3.47Å; H142-A145 HydrophobicContact CB-CB 4.09Å; H142-A145 PolarHBondContact O-N 2.77Å; H142-S146 PolarHBondContact O-N 2.93Å
143V95.4Very high93.2Very high97 Ų9762.7 Ų62.759%0.58832%0.32SS*.Hα-helixtrans-61.2-45.6-171.9179.60000112A145 S146 V147V143-A145 PolarHBondContact O-N 3.35Å; V143-S146 WeakPolarHBondContact O-CB 3.35Å; V143-S146 PolarHBondContact O-N 2.96Å; V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.29Å; V143-V147 PolarHBondContact O-N 2.93Å
144D96Very high93.6Very high104 Ų10466.2 Ų66.256%0.55634%0.335SS*.Hα-helixtrans-62.4-44.5-179.1-72.9-12.9000111.7Y83 H142 S146 V147 A148Y83-D144 PolarHBondContact OH-O 2.96Å; H142-D144 PolarHBondContact O-N 3.47Å; D144-S146 VanDerWaalsContact C-N 3.33Å; D144-S146 PolarHBondContact O-N 3.45Å; D144-V147 PolarHBondContact O-N 2.87Å; D144-A148 WeakPolarHBondContact O-CB 3.49Å; D144-A148 PolarHBondContact O-N 2.78Å
145A96.7Very high93.9Very high0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-62-39.4175.100000112.2Y83 H142 V143 A148 Y149Y83-A145 HydrophobicContact CD1-CB 4.11Å; Y83-A145 HydrophobicContact CD2-CB 4.08Å; Y83-A145 HydrophobicContact CE1-CB 3.92Å; Y83-A145 HydrophobicContact CE2-CB 3.86Å; Y83-A145 HydrophobicContact CG-CB 4.2Å; Y83-A145 VanDerWaalsContact CZ-CA 3.47Å; Y83-A145 WeakPolarHBondContact OH-CA 3.37Å; Y83-A145 PolarHBondContact OH-N 2.96Å; H142-A145 HydrophobicContact CB-CB 4.09Å; H142-A145 PolarHBondContact O-N 2.77Å; V143-A145 PolarHBondContact O-N 3.35Å; A145-A148 PolarHBondContact O-N 2.8Å; A145-Y149 VanDerWaalsContact O-CB 3.3Å; A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.46Å
146S96.6Very high94Very high9 Ų967.2 Ų67.26%0.06335%0.346CS..Hα-helixtrans-62.1-46.4174.6-177.50000112.5A140 H142 V143 D144 A148 Y149 R150A140-S146 VanDerWaalsContact CB-CB 3.47Å; H142-S146 PolarHBondContact O-N 2.93Å; V143-S146 WeakPolarHBondContact O-CB 3.35Å; V143-S146 PolarHBondContact O-N 2.96Å; D144-S146 VanDerWaalsContact C-N 3.33Å; D144-S146 PolarHBondContact O-N 3.45Å; S146-A148 PolarHBondContact O-N 2.75Å; S146-Y149 PolarHBondContact O-N 2.82Å; S146-R150 WeakPolarHBondContact O-CB 3.34Å; S146-R150 PolarHBondContact O-N 3.23Å
147V96.4Very high94Very high46 Ų4665 Ų6528%0.27934%0.341SS..Hα-helixtrans-63.7-43.4177.6173.20000111.2V143 D144 K151V143-V147 HydrophobicContact CG1-CG2 4.44Å; V143-V147 WeakPolarHBondContact O-CG2 3.29Å; V143-V147 PolarHBondContact O-N 2.93Å; D144-V147 PolarHBondContact O-N 2.87Å; V147-K151 HydrophobicContact CG1-CD 4.26Å; V147-K151 WeakPolarHBondContact O-CG 3.32Å; V147-K151 PolarHBondContact O-N 3.15Å; V147-K151 VanDerWaalsContact O-N 3.1Å
148A96.6Very high94.3Very high4 Ų468.3 Ų68.33%0.03336%0.363CS..Hα-helixtrans-64.1-44.3177.300000111.8Y83 D144 A145 S146 K151 W152 Y162Y83-A148 HydrophobicContact CE1-CB 4.18Å; D144-A148 WeakPolarHBondContact O-CB 3.49Å; D144-A148 PolarHBondContact O-N 2.78Å; A145-A148 PolarHBondContact O-N 2.8Å; S146-A148 PolarHBondContact O-N 2.75Å; A148-K151 PolarHBondContact O-N 3.25Å; A148-W152 WeakPolarHBondContact O-CB 3.5Å; A148-W152 PolarHBondContact O-N 2.86Å; A148-Y162 HydrophobicContact CB-CD2 4.19Å
149Y96.4Very high94.7Very high25 Ų2564.1 Ų64.110%0.09834%0.344CS..Hα-helixtrans-60-47.3176.4178.4-94.9000111.7P85 P135 I137 A145 S146 K151 W152 K153 Y162P85-Y149 HydrophobicContact CG-CG 4.32Å; P135-Y149 VanDerWaalsContact CD-CZ 3.45Å; P135-Y149 WeakPolarHBondContact CD-OH 3.12Å; P135-Y149 HydrophobicContact CG-CD1 4.46Å; P135-Y149 HydrophobicContact CG-CD2 4.01Å; P135-Y149 HydrophobicContact CG-CE1 4.25Å; P135-Y149 HydrophobicContact CG-CE2 3.75Å; P135-Y149 HydrophobicContact CG-CG 4.35Å; I137-Y149 HydrophobicContact CG2-CD1 3.7Å; I137-Y149 HydrophobicContact CG2-CE1 4.2Å; A145-Y149 VanDerWaalsContact O-CB 3.3Å; A145-Y149 WeakPolarHBondContact O-CB 3.39Å; A145-Y149 PolarHBondContact O-N 3.46Å; S146-Y149 PolarHBondContact O-N 2.82Å; Y149-K151 PolarHBondContact O-N 2.77Å; Y149-W152 HydrophobicContact CD2-CE3 4.07Å; Y149-W152 HydrophobicContact CD2-CZ3 4.26Å; Y149-W152 HydrophobicContact CE2-CE3 4.02Å; Y149-W152 AromaticContact CE2-CZ3 3.77Å; Y149-W152 HydrophobicContact CE2-CZ3 3.77Å; Y149-W152 PolarHBondContact O-N 3.18Å; Y149-K153 WeakPolarHBondContact O-CB 3.3Å; Y149-K153 PolarHBondContact O-N 3.32Å; Y149-Y162 AromaticContact CD2-CD1 3.97Å; Y149-Y162 HydrophobicContact CD2-CD1 3.97Å; Y149-Y162 AromaticContact CD2-CE1 3.62Å; Y149-Y162 HydrophobicContact CD2-CE1 3.62Å; Y149-Y162 HydrophobicContact CD2-CE2 4.32Å; Y149-Y162 HydrophobicContact CD2-CG 4.46Å; Y149-Y162 AromaticContact CD2-CZ 3.81Å; Y149-Y162 HydrophobicContact CE2-CE1 4.37Å
150R95.9Very high95.2Very high106 Ų10664.8 Ų64.840%0.434%0.341SS..Hα-helixtrans-58.8-48.5178.7-177.6174.766.2-145.8-3.3111.5S146 W152 K153 E154S146-R150 WeakPolarHBondContact O-CB 3.34Å; S146-R150 PolarHBondContact O-N 3.23Å; R150-W152 VanDerWaalsContact C-N 3.34Å; R150-W152 PolarHBondContact O-N 2.79Å; R150-K153 PolarHBondContact O-N 3.48Å; R150-E154 VanDerWaalsContact CD-OE1 3.29Å; R150-E154 WeakPolarHBondContact CD-OE1 3.37Å; R150-E154 VanDerWaalsContact CG-CD 3.45Å; R150-E154 HydrophobicContact CG-CG 4.16Å; R150-E154 WeakPolarHBondContact CG-OE1 3.27Å; R150-E154 WeakPolarHBondContact O-CB 3.16Å; R150-E154 VanDerWaalsContact O-CG 3.3Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 2.95Å
151K96.3Very high95.4Very high82 Ų8267.5 Ų67.536%0.35735%0.348SS..Hα-helixtrans-59.5-43.1176.4-74.5173.3176.8-177.60112.4V147 A148 Y149 S155 Q159V147-K151 HydrophobicContact CG1-CD 4.26Å; V147-K151 WeakPolarHBondContact O-CG 3.32Å; V147-K151 PolarHBondContact O-N 3.15Å; V147-K151 VanDerWaalsContact O-N 3.1Å; A148-K151 PolarHBondContact O-N 3.25Å; Y149-K151 PolarHBondContact O-N 2.77Å; K151-S155 WeakPolarHBondContact O-CB 3.45Å; K151-S155 PolarHBondContact O-N 2.84Å; K151-S155 VanDerWaalsContact O-N 3.08Å; K151-S155 PolarHBondContact O-OG 2.78Å; K151-Q159 HydrophobicContact CB-CB 4.33Å
152W96.7Very high95.5Very high43 Ų4366.7 Ų66.716%0.16334%0.341CS..Hα-helixtrans-62.1-46.4177.3170.779.5000111.5L53 A148 Y149 R150 S155 N156 G157 Q159 Y162 E163L53-W152 HydrophobicContact CD1-CH2 3.82Å; L53-W152 HydrophobicContact CD1-CZ2 3.84Å; L53-W152 HydrophobicContact CD1-CZ3 4.23Å; L53-W152 HydrophobicContact CD2-CZ2 4.07Å; L53-W152 HydrophobicContact CG-CH2 4.27Å; L53-W152 HydrophobicContact CG-CZ2 4.19Å; A148-W152 WeakPolarHBondContact O-CB 3.5Å; A148-W152 PolarHBondContact O-N 2.86Å; Y149-W152 HydrophobicContact CD2-CE3 4.07Å; Y149-W152 HydrophobicContact CD2-CZ3 4.26Å; Y149-W152 HydrophobicContact CE2-CE3 4.02Å; Y149-W152 AromaticContact CE2-CZ3 3.77Å; Y149-W152 HydrophobicContact CE2-CZ3 3.77Å; Y149-W152 PolarHBondContact O-N 3.18Å; R150-W152 VanDerWaalsContact C-N 3.34Å; R150-W152 PolarHBondContact O-N 2.79Å; W152-S155 PolarHBondContact O-OG 3.08Å; W152-N156 PolarHBondContact O-N 2.88Å; W152-G157 PolarHBondContact O-N 3.39Å; W152-Q159 VanDerWaalsContact CA-O 3.3Å; W152-Q159 WeakPolarHBondContact CA-O 3.22Å; W152-Q159 WeakPolarHBondContact CB-O 3.4Å; W152-Y162 HydrophobicContact CE3-CD1 4.5Å; W152-E163 PolarHBondContact NE1-OE2 2.71Å
153K93.9Very high95.6Very high124 Ų12467.9 Ų67.954%0.53935%0.347SS..Hα-helixtrans-66.8-49.4-179.9-167.472.2178.4-171.10112.4Y149 R150 S155 N156Y149-K153 WeakPolarHBondContact O-CB 3.3Å; Y149-K153 PolarHBondContact O-N 3.32Å; R150-K153 PolarHBondContact O-N 3.48Å; K153-S155 VanDerWaalsContact C-N 3.26Å; K153-S155 PolarHBondContact O-N 3.19Å; K153-N156 PolarHBondContact O-N 3.48Å; K153-N156 PolarHBondContact O-OD1 3.26Å
154E95.6Very high95.6Very high138 Ų13870.5 Ų70.565%0.64535%0.346SS*.Hα-helixtrans-64.2-30.8-179.8-72.1171.4176.900112.7R150R150-E154 VanDerWaalsContact CD-OE1 3.29Å; R150-E154 WeakPolarHBondContact CD-OE1 3.37Å; R150-E154 VanDerWaalsContact CG-CD 3.45Å; R150-E154 HydrophobicContact CG-CG 4.16Å; R150-E154 WeakPolarHBondContact CG-OE1 3.27Å; R150-E154 WeakPolarHBondContact O-CB 3.16Å; R150-E154 VanDerWaalsContact O-CG 3.3Å; R150-E154 WeakPolarHBondContact O-CG 3.47Å; R150-E154 PolarHBondContact O-N 2.95Å
155S95.8Very high95.7Very high25 Ų2567.7 Ų67.718%0.17533%0.333CS..THydrogen-bonded Turntrans-90.55.3179.270.50000114.1K151 W152 K153 G157 V158 Q159K151-S155 WeakPolarHBondContact O-CB 3.45Å; K151-S155 PolarHBondContact O-N 2.84Å; K151-S155 VanDerWaalsContact O-N 3.08Å; K151-S155 PolarHBondContact O-OG 2.78Å; W152-S155 PolarHBondContact O-OG 3.08Å; K153-S155 VanDerWaalsContact C-N 3.26Å; K153-S155 PolarHBondContact O-N 3.19Å; S155-G157 PolarHBondContact O-N 2.89Å; S155-V158 WeakPolarHBondContact O-CB 3.39Å; S155-V158 VanDerWaalsContact O-CG2 3.28Å; S155-V158 WeakPolarHBondContact O-CG2 3.1Å; S155-V158 PolarHBondContact O-N 3.09Å; S155-V158 VanDerWaalsContact O-N 3.15Å; S155-V158 PolarHBondContact OG-N 2.71Å; S155-Q159 WeakPolarHBondContact OG-CB 3.3Å; S155-Q159 PolarHBondContact OG-N 2.95Å
156N93.8Very high95.6Very high155 Ų15567.8 Ų67.883%0.82933%0.333SS*.THydrogen-bonded Turntrans49.642.7-173.9-69-23.8000112.9W152 K153W152-N156 PolarHBondContact O-N 2.88Å; K153-N156 PolarHBondContact O-N 3.48Å; K153-N156 PolarHBondContact O-OD1 3.26Å
157G92.1Very high95.6Very high26 Ų2671.9 Ų71.927%0.26835%0.35SS..THydrogen-bonded Turntrans83.61.6177.600000115.9W152 S155 Q159W152-G157 PolarHBondContact O-N 3.39Å; S155-G157 PolarHBondContact O-N 2.89Å; G157-Q159 VanDerWaalsContact C-N 3.34Å
158V94.6Very high95.6Very high126 Ų12673.4 Ų73.476%0.76436%0.362SS*.SBendtrans-66-38.6174.7175.40000111.2S155 D160S155-V158 WeakPolarHBondContact O-CB 3.39Å; S155-V158 VanDerWaalsContact O-CG2 3.28Å; S155-V158 WeakPolarHBondContact O-CG2 3.1Å; S155-V158 PolarHBondContact O-N 3.09Å; S155-V158 VanDerWaalsContact O-N 3.15Å; S155-V158 PolarHBondContact OG-N 2.71Å; V158-D160 PolarHBondContact O-N 3.43Å
159Q94.3Very high95.6Very high92 Ų9274.8 Ų74.843%0.4337%0.369SS..SBendtrans-89.592.7168-66.3-177.577.400109K151 W152 S155 G157 E161K151-Q159 HydrophobicContact CB-CB 4.33Å; W152-Q159 VanDerWaalsContact CA-O 3.3Å; W152-Q159 WeakPolarHBondContact CA-O 3.22Å; W152-Q159 WeakPolarHBondContact CB-O 3.4Å; S155-Q159 WeakPolarHBondContact OG-CB 3.3Å; S155-Q159 PolarHBondContact OG-N 2.95Å; G157-Q159 VanDerWaalsContact C-N 3.34Å; Q159-E161 VanDerWaalsContact C-N 3.33Å; Q159-E161 PolarHBondContact O-N 3.4Å
160D95.4Very high95.6Very high86 Ų8674.1 Ų74.146%0.4637%0.368SS..  trans-87.89.4-170.174.7-22000114.6V158 Y162 E163 R164V158-D160 PolarHBondContact O-N 3.43Å; D160-Y162 PolarHBondContact O-N 2.89Å; D160-E163 PolarHBondContact O-N 2.88Å; D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.39Å; D160-R164 PolarHBondContact O-N 2.89Å
161E96.2Very high95.5Very high90 Ų9076.1 Ų76.142%0.42138%0.379SS..Hα-helixtrans-55.6-50.7-173.7-179.3174.9-162.700112.4Q159 R164 V165Q159-E161 VanDerWaalsContact C-N 3.33Å; Q159-E161 PolarHBondContact O-N 3.4Å; E161-R164 PolarHBondContact O-N 3.47Å; E161-V165 WeakPolarHBondContact O-CG2 3.33Å; E161-V165 PolarHBondContact O-N 2.95Å; E161-V165 VanDerWaalsContact O-N 3.09Å
162Y96.4Very high95.5Very high2 Ų274.7 Ų74.71%0.00838%0.383CS..Hα-helixtrans-59.9-52.2179-175.3-97.6000111.3L53 Y54 Y83 A148 Y149 W152 D160 R164 V165 V166L53-Y162 HydrophobicContact CD1-CD1 3.73Å; L53-Y162 HydrophobicContact CD1-CE1 3.69Å; Y54-Y162 PolarHBondContact OH-OH 3.3Å; Y83-Y162 HydrophobicContact CD1-CD2 4.03Å; Y83-Y162 HydrophobicContact CD1-CE2 4.12Å; Y83-Y162 AromaticContact CE1-CD2 3.87Å; Y83-Y162 HydrophobicContact CE1-CD2 3.87Å; Y83-Y162 HydrophobicContact CE1-CE2 4.31Å; A148-Y162 HydrophobicContact CB-CD2 4.19Å; Y149-Y162 AromaticContact CD2-CD1 3.97Å; Y149-Y162 HydrophobicContact CD2-CD1 3.97Å; Y149-Y162 AromaticContact CD2-CE1 3.62Å; Y149-Y162 HydrophobicContact CD2-CE1 3.62Å; Y149-Y162 HydrophobicContact CD2-CE2 4.32Å; Y149-Y162 HydrophobicContact CD2-CG 4.46Å; Y149-Y162 AromaticContact CD2-CZ 3.81Å; Y149-Y162 HydrophobicContact CE2-CE1 4.37Å; W152-Y162 HydrophobicContact CE3-CD1 4.5Å; D160-Y162 PolarHBondContact O-N 2.89Å; Y162-R164 VanDerWaalsContact C-N 3.32Å; Y162-R164 PolarHBondContact O-N 3.5Å; Y162-V165 PolarHBondContact O-N 3.1Å; Y162-V166 HydrophobicContact CD1-CG2 4.1Å; Y162-V166 HydrophobicContact CE1-CG2 3.73Å; Y162-V166 HydrophobicContact CE2-CG2 4.34Å; Y162-V166 WeakPolarHBondContact O-CG2 3.22Å; Y162-V166 PolarHBondContact O-N 3.21Å
163E95.8Very high95.5Very high46 Ų4672.8 Ų72.822%0.21538%0.376CS..Hα-helixtrans-58.4-42.2179.1167.1171.117900112.3L53 W152 D160 V166 K167L53-E163 HydrophobicContact CD2-CB 3.98Å; L53-E163 HydrophobicContact CD2-CG 3.69Å; W152-E163 PolarHBondContact NE1-OE2 2.71Å; D160-E163 PolarHBondContact O-N 2.88Å; E163-V166 PolarHBondContact O-N 2.84Å; E163-K167 HydrophobicContact CG-CD 3.87Å; E163-K167 HydrophobicContact CG-CG 4.4Å; E163-K167 VanDerWaalsContact O-CB 3.28Å; E163-K167 WeakPolarHBondContact O-CB 3.34Å; E163-K167 VanDerWaalsContact O-CG 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.43Å; E163-K167 PolarHBondContact O-N 3.12Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 2.83Å; E163-K167 IonicContact OE1-NZ 3.96Å; E163-K167 PolarHBondContact OE1-NZ 3.32Å
164R97Very high95.5Very high152 Ų15270.5 Ų70.557%0.57437%0.367SS*.Hα-helixtrans-64.1-42178.5-178.8-179.658.6130.43.5111.9D160 E161 Y162 S168D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.39Å; D160-R164 PolarHBondContact O-N 2.89Å; E161-R164 PolarHBondContact O-N 3.47Å; Y162-R164 VanDerWaalsContact C-N 3.32Å; Y162-R164 PolarHBondContact O-N 3.5Å; R164-S168 WeakPolarHBondContact O-CB 3.5Å; R164-S168 PolarHBondContact O-N 2.94Å
165V96.9Very high95.3Very high45 Ų4570.2 Ų70.227%0.27337%0.366SS..Hα-helixtrans-66.2-49.2176.41770000110.2Y83 E161 Y162 K167 S168 L169Y83-V165 HydrophobicContact CD1-CB 4.01Å; Y83-V165 HydrophobicContact CD1-CG1 3.66Å; Y83-V165 HydrophobicContact CD2-CG1 4.4Å; Y83-V165 HydrophobicContact CE1-CB 4.39Å; Y83-V165 HydrophobicContact CE1-CG1 4.35Å; Y83-V165 HydrophobicContact CG-CG1 3.68Å; E161-V165 WeakPolarHBondContact O-CG2 3.33Å; E161-V165 PolarHBondContact O-N 2.95Å; E161-V165 VanDerWaalsContact O-N 3.09Å; Y162-V165 PolarHBondContact O-N 3.1Å; V165-K167 PolarHBondContact O-N 2.03Å; V165-S168 WeakPolarHBondContact O-CA 3.5Å; V165-S168 WeakPolarHBondContact O-CB 3.37Å; V165-S168 PolarHBondContact O-N 2.88Å; V165-L169 HydrophobicContact CG1-CD1 4.39Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 2.92Å
166V95.9Very high95.2Very high1 Ų172 Ų721%0.00637%0.371CS..Hα-helixtrans-59.6-46.1179.3176.20000111.3L53 Y54 Y162 E163 S168 L169 V170L53-V166 HydrophobicContact CB-CG1 3.87Å; L53-V166 WeakPolarHBondContact O-CG1 2.82Å; Y54-V166 HydrophobicContact CD1-CG1 3.88Å; Y54-V166 HydrophobicContact CE1-CG1 3.62Å; Y54-V166 HydrophobicContact CE2-CG1 4.36Å; Y54-V166 HydrophobicContact CG-CG1 4.35Å; Y162-V166 HydrophobicContact CD1-CG2 4.1Å; Y162-V166 HydrophobicContact CE1-CG2 3.73Å; Y162-V166 HydrophobicContact CE2-CG2 4.34Å; Y162-V166 WeakPolarHBondContact O-CG2 3.22Å; Y162-V166 PolarHBondContact O-N 3.21Å; E163-V166 PolarHBondContact O-N 2.84Å; V166-S168 VanDerWaalsContact C-N 3.26Å; V166-S168 PolarHBondContact O-N 2.78Å; V166-L169 WeakPolarHBondContact O-CB 3.46Å; V166-L169 PolarHBondContact O-N 3.03Å; V166-L169 VanDerWaalsContact O-N 3.07Å; V166-V170 HydrophobicContact CG1-CG2 4.48Å; V166-V170 WeakPolarHBondContact O-CG2 3.44Å; V166-V170 PolarHBondContact O-N 2.61Å
167K95.7Very high95.2Very high96 Ų9664.8 Ų64.842%0.41733%0.333SS..Hα-helixtrans-61.5-33.1175.2-76.6179.3171.4176.80112.9E163 V165 K171E163-K167 HydrophobicContact CG-CD 3.87Å; E163-K167 HydrophobicContact CG-CG 4.4Å; E163-K167 VanDerWaalsContact O-CB 3.28Å; E163-K167 WeakPolarHBondContact O-CB 3.34Å; E163-K167 VanDerWaalsContact O-CG 3.29Å; E163-K167 WeakPolarHBondContact O-CG 3.43Å; E163-K167 PolarHBondContact O-N 3.12Å; E163-K167 VanDerWaalsContact OE1-CE 3.28Å; E163-K167 WeakPolarHBondContact OE1-CE 2.83Å; E163-K167 IonicContact OE1-NZ 3.96Å; E163-K167 PolarHBondContact OE1-NZ 3.32Å; V165-K167 PolarHBondContact O-N 2.03Å; K167-K171 VanDerWaalsContact O-CG 3.3Å; K167-K171 WeakPolarHBondContact O-CG 3.16Å; K167-K171 PolarHBondContact O-N 2.63Å; K167-K171 VanDerWaalsContact O-N 3.14Å
168S96.7Very high95.2Very high77 Ų7771.5 Ų71.554%0.53836%0.355SS..Hα-helixtrans-68.8-38.8173.8-169.40000111.9R164 V165 V166 K171 A172R164-S168 WeakPolarHBondContact O-CB 3.5Å; R164-S168 PolarHBondContact O-N 2.94Å; V165-S168 WeakPolarHBondContact O-CA 3.5Å; V165-S168 WeakPolarHBondContact O-CB 3.37Å; V165-S168 PolarHBondContact O-N 2.88Å; V166-S168 VanDerWaalsContact C-N 3.26Å; V166-S168 PolarHBondContact O-N 2.78Å; S168-K171 PolarHBondContact O-N 2.92Å; S168-A172 PolarHBondContact O-N 2.98Å
169L96.1Very high95.2Very high34 Ų3472.8 Ų72.818%0.17835%0.353CS..Hα-helixtrans-65.1-48175-67.1174.1000111.1R81 V165 V166 K171 A172 T173R81-L169 HydrophobicContact CB-CD2 4.09Å; V165-L169 HydrophobicContact CG1-CD1 4.39Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 2.92Å; V166-L169 WeakPolarHBondContact O-CB 3.46Å; V166-L169 PolarHBondContact O-N 3.03Å; V166-L169 VanDerWaalsContact O-N 3.07Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 2.79Å; L169-A172 WeakPolarHBondContact O-CB 3.2Å; L169-A172 PolarHBondContact O-N 3Å; L169-T173 WeakPolarHBondContact O-CG2 3.34Å; L169-T173 PolarHBondContact O-N 2.65Å; L169-T173 VanDerWaalsContact O-N 3.1Å
170V96Very high95.1Very high11 Ų1172 Ų727%0.06735%0.352CS..Hα-helixtrans-52-48.8174.8168.40000110.8E55 F59 V166 A172 T173 H174E55-V170 WeakPolarHBondContact O-CG1 3.08Å; F59-V170 HydrophobicContact CZ-CG2 3.96Å; V166-V170 HydrophobicContact CG1-CG2 4.48Å; V166-V170 WeakPolarHBondContact O-CG2 3.44Å; V166-V170 PolarHBondContact O-N 2.61Å; V170-A172 VanDerWaalsContact C-N 3.31Å; V170-A172 PolarHBondContact O-N 3.13Å; V170-T173 PolarHBondContact O-N 3.33Å; V170-T173 VanDerWaalsContact O-N 3.1Å; V170-T173 PolarHBondContact O-OG1 3.21Å; V170-H174 PolarHBondContact O-CD2 3.49Å; V170-H174 PolarHBondContact O-N 3.45Å
171K95.4Very high95Very high147 Ų14771.1 Ų71.164%0.63936%0.363SS*.Hα-helixtrans-60-38.5177.6-73.5173.5-175.2-1800113.4K167 S168 L169 T173 H174K167-K171 VanDerWaalsContact O-CG 3.3Å; K167-K171 WeakPolarHBondContact O-CG 3.16Å; K167-K171 PolarHBondContact O-N 2.63Å; K167-K171 VanDerWaalsContact O-N 3.14Å; S168-K171 PolarHBondContact O-N 2.92Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 2.79Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 2.94Å; K171-H174 WeakPolarHBondContact O-CB 3.11Å; K171-H174 PolarHBondContact O-N 2.89Å
172A95.4Very high94.8Very high52 Ų5268.5 Ų68.543%0.4335%0.353SS..Hα-helixtrans-63.6-37.7177.200000111.4S168 L169 V170 H174 E175S168-A172 PolarHBondContact O-N 2.98Å; L169-A172 WeakPolarHBondContact O-CB 3.2Å; L169-A172 PolarHBondContact O-N 3Å; V170-A172 VanDerWaalsContact C-N 3.31Å; V170-A172 PolarHBondContact O-N 3.13Å; A172-H174 PolarHBondContact O-N 3.42Å; A172-E175 PolarHBondContact O-N 3.26Å
173T96Very high94.5Very high4 Ų474.3 Ų74.33%0.02539%0.389CS..Hα-helixtrans-64.8-21.4177.869.50000114.2Y58 F59 L169 V170 K171 E175 E176 A177Y58-T173 PolarHBondContact N-OG1 3.39Å; Y58-T173 WeakPolarHBondContact O-CB 3.18Å; Y58-T173 WeakPolarHBondContact O-CG2 3.45Å; F59-T173 HydrophobicContact CD1-CG2 3.84Å; F59-T173 HydrophobicContact CE1-CG2 3.73Å; F59-T173 HydrophobicContact CZ-CG2 4.36Å; L169-T173 WeakPolarHBondContact O-CG2 3.34Å; L169-T173 PolarHBondContact O-N 2.65Å; L169-T173 VanDerWaalsContact O-N 3.1Å; V170-T173 PolarHBondContact O-N 3.33Å; V170-T173 VanDerWaalsContact O-N 3.1Å; V170-T173 PolarHBondContact O-OG1 3.21Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 2.94Å; T173-E175 PolarHBondContact O-N 3.49Å; T173-E176 PolarHBondContact O-N 2.9Å; T173-A177 WeakPolarHBondContact O-CB 3.42Å; T173-A177 PolarHBondContact O-N 2.72Å
174H93.7Very high94.3Very high76 Ų7673.3 Ų73.335%0.35239%0.386SS..Hα-helixtrans-64.5-30.3177-63.9-176.6000112.1G56 V170 K171 A172 K178G56-H174 PolarHBondContact O-CD2 3.31Å; G56-H174 PolarHBondContact O-NE2 2.87Å; G56-H174 VanDerWaalsContact O-NE2 3.14Å; V170-H174 PolarHBondContact O-CD2 3.49Å; V170-H174 PolarHBondContact O-N 3.45Å; K171-H174 WeakPolarHBondContact O-CB 3.11Å; K171-H174 PolarHBondContact O-N 2.89Å; A172-H174 PolarHBondContact O-N 3.42Å; H174-K178 VanDerWaalsContact O-CG 3.29Å; H174-K178 WeakPolarHBondContact O-CG 3.38Å; H174-K178 PolarHBondContact O-N 3.07Å
175E92.1Very high94Very high132 Ų13266.9 Ų66.962%0.61736%0.364SS*.Hα-helixtrans-72.9-39.1175.1-65.6-176.4178.500111A172 T173 K178 Q179A172-E175 PolarHBondContact O-N 3.26Å; T173-E175 PolarHBondContact O-N 3.49Å; E175-K178 PolarHBondContact O-N 2.89Å; E175-Q179 WeakPolarHBondContact O-CG 3.4Å; E175-Q179 PolarHBondContact O-N 3.21Å; E175-Q179 VanDerWaalsContact O-N 3.08Å
176E92.8Very high93.4Very high62 Ų6268.6 Ų68.629%0.2937%0.374SS..Hα-helixtrans-64.3-43.9174.3-63.8-178.4-156.700111.5Y58 S80 T173 K178 Q179 D180Y58-E176 HydrophobicContact CD1-CB 4.29Å; Y58-E176 HydrophobicContact CE1-CB 4.48Å; S80-E176 PolarHBondContact OG-OE2 3.21Å; T173-E176 PolarHBondContact O-N 2.9Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.16Å; E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; E176-D180 PolarHBondContact O-N 3.13Å
177A94.2Very high93Very high4 Ų471.4 Ų71.43%0.03339%0.392CS..Hα-helixtrans-59.6-39.6177.100000111.9Y58 T173 D180 G181 V182 V184Y58-A177 VanDerWaalsContact CD1-CA 3.49Å; Y58-A177 HydrophobicContact CD1-CB 3.62Å; Y58-A177 HydrophobicContact CE1-CB 4.32Å; Y58-A177 HydrophobicContact CG-CB 3.9Å; T173-A177 WeakPolarHBondContact O-CB 3.42Å; T173-A177 PolarHBondContact O-N 2.72Å; A177-D180 PolarHBondContact O-N 3.16Å; A177-G181 PolarHBondContact O-N 3.5Å; A177-G181 VanDerWaalsContact O-N 3.09Å; A177-V182 PolarHBondContact O-N 3.12Å; A177-V184 HydrophobicContact CB-CG2 3.83Å
178K93.6Very high92.5Very high166 Ų16671.7 Ų71.772%0.72240%0.397SS*.Hα-helixtrans-66.3-40.5175.4-73.6172.1-172.6175.60112.3H174 E175 E176 D180 G181H174-K178 VanDerWaalsContact O-CG 3.29Å; H174-K178 WeakPolarHBondContact O-CG 3.38Å; H174-K178 PolarHBondContact O-N 3.07Å; E175-K178 PolarHBondContact O-N 2.89Å; E176-K178 VanDerWaalsContact C-N 3.28Å; E176-K178 PolarHBondContact O-N 3.16Å; K178-D180 VanDerWaalsContact C-N 3.31Å; K178-G181 PolarHBondContact O-N 2.76Å
179Q93.1Very high92.1Very high154 Ų15475.6 Ų75.672%0.7241%0.407SS*.Hα-helixtrans-64.6-38.2178.4-73173.945.900111.6E175 E176 G181E175-Q179 WeakPolarHBondContact O-CG 3.4Å; E175-Q179 PolarHBondContact O-N 3.21Å; E175-Q179 VanDerWaalsContact O-N 3.08Å; E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.13Å; Q179-G181 VanDerWaalsContact C-N 3.3Å
180D93.2Very high91.6Very high75 Ų7578.6 Ų78.640%0.40142%0.42SS..THydrogen-bonded Turntrans-81.2-7.8177.3-66.92.1000113.7Y58 K60 E176 A177 K178 V182Y58-D180 HydrophobicContact CE1-CB 4.43Å; Y58-D180 VanDerWaalsContact CE1-OD2 3.26Å; Y58-D180 WeakPolarHBondContact CE1-OD2 2.96Å; Y58-D180 PolarHBondContact OH-OD2 3.38Å; K60-D180 WeakPolarHBondContact CE-OD2 3.47Å; K60-D180 IonicContact NZ-OD1 3.44Å; K60-D180 PolarHBondContact NZ-OD1 3.08Å; K60-D180 IonicContact NZ-OD2 3.34Å; K60-D180 PolarHBondContact NZ-OD2 3Å; E176-D180 PolarHBondContact O-N 3.13Å; A177-D180 PolarHBondContact O-N 3.16Å; K178-D180 VanDerWaalsContact C-N 3.31Å; D180-V182 VanDerWaalsContact C-N 3.32Å; D180-V182 HydrophobicContact CB-CG2 3.84Å; D180-V182 PolarHBondContact O-N 3.02Å
181G93.2Very high91.2Very high68 Ų6878.7 Ų78.770%0.70142%0.419SS*.THydrogen-bonded Turntrans69.127.1-175.500000114A177 K178 Q179A177-G181 PolarHBondContact O-N 3.5Å; A177-G181 VanDerWaalsContact O-N 3.09Å; K178-G181 PolarHBondContact O-N 2.76Å; Q179-G181 VanDerWaalsContact C-N 3.3Å
182V91.6Very high90.7Very high34 Ų3473.1 Ų73.121%0.20640%0.399CS..PPolyproline II helixtrans-93.7128.3-178177.40000110.9F47 Y58 A177 D180F47-V182 HydrophobicContact CE1-CG1 3.55Å; F47-V182 HydrophobicContact CZ-CG1 3.68Å; Y58-V182 HydrophobicContact CD2-CG1 4.25Å; Y58-V182 HydrophobicContact CE2-CB 4.32Å; Y58-V182 HydrophobicContact CE2-CG1 4Å; Y58-V182 HydrophobicContact CE2-CG2 4.25Å; A177-V182 PolarHBondContact O-N 3.12Å; D180-V182 VanDerWaalsContact C-N 3.32Å; D180-V182 HydrophobicContact CB-CG2 3.84Å; D180-V182 PolarHBondContact O-N 3.02Å
183T90.8Very high89.5Confident124 Ų12475.2 Ų75.276%0.76141%0.406SS*.PPolyproline II helixtrans-85.6119.5168.6-51.50000109.8
184V91.7Very high87.9Confident26 Ų2677 Ų7716%0.15842%0.418CS..PPolyproline II helixtrans-84.1128.1180-176.90000109.8F47 G56 A177F47-V184 HydrophobicContact CD1-CG1 4.15Å; G56-V184 WeakPolarHBondContact O-CG1 3.43Å; A177-V184 HydrophobicContact CB-CG2 3.83Å
185P89.7Confident86.1Confident16 Ų1674 Ų7410%0.10441%0.408CS..PPolyproline II helixtrans-66.6133.8174.628.7-34.4000110.2F47 E190 Y191F47-P185 HydrophobicContact CB-CG 3.86Å; F47-P185 HydrophobicContact CD1-CG 4.35Å; F47-P185 HydrophobicContact CG-CG 3.98Å; P185-E190 HydrophobicContact CB-CB 3.61Å; P185-Y191 HydrophobicContact CG-CD2 4.03Å
186T84.7Confident84.4Confident81 Ų8176.4 Ų76.450%0.49741%0.411SS..  trans-117.5-14.9179.157.10000112.8E190T186-E190 PolarHBondContact N-OE2 3.14Å; T186-E190 PolarHBondContact OG1-OE2 3.09Å
187T87.7Confident82.5Confident60 Ų6076.8 Ų76.837%0.36842%0.419SS..SBendtrans-109157176.168.40000110.6E189 E190 Y191T187-E189 PolarHBondContact O-N 2.86Å; T187-E190 PolarHBondContact N-OE2 3.28Å; T187-E190 PolarHBondContact O-N 3.41Å; T187-E190 WeakPolarHBondContact OG1-CB 3.42Å; T187-E190 VanDerWaalsContact OG1-CG 3.26Å; T187-E190 WeakPolarHBondContact OG1-CG 3.27Å; T187-E190 PolarHBondContact OG1-N 2.88Å; T187-E190 PolarHBondContact OG1-OE2 3.48Å; T187-Y191 WeakPolarHBondContact O-CB 3.47Å; T187-Y191 PolarHBondContact O-N 3.04Å
188L86.2Confident80.5Confident102 Ų10283.4 Ų83.453%0.53446%0.459SS..Hα-helixtrans-59.1-36.8173.6-174.865.4000111.9P50 Y191 C192P50-L188 HydrophobicContact CG-CB 4.23Å; P50-L188 HydrophobicContact CG-CD1 3.93Å; L188-Y191 PolarHBondContact O-N 3.44Å; L188-C192 WeakPolarHBondContact O-CB 3.35Å; L188-C192 PolarHBondContact O-N 3.25Å; L188-C192 PolarHBondContact O-SG 3.21Å; L188-C192 VanDerWaalsContact O-SG 3.41Å
189E86.6Confident78.2Confident160 Ų16079.2 Ų79.275%0.74845%0.45SS*.Hα-helixtrans-63.2-48.9177.9-64.3-178-178.900111.3T187 Y191 C192 V193T187-E189 PolarHBondContact O-N 2.86Å; E189-Y191 VanDerWaalsContact C-N 3.31Å; E189-Y191 PolarHBondContact O-N 2.87Å; E189-C192 PolarHBondContact O-N 3.49Å; E189-V193 VanDerWaalsContact O-CB 3.31Å; E189-V193 WeakPolarHBondContact O-CB 3.28Å; E189-V193 WeakPolarHBondContact O-CG2 3.17Å; E189-V193 PolarHBondContact O-N 3.37Å
190E86.8Confident75.8Confident96 Ų9681.5 Ų81.545%0.44946%0.458SS..Hα-helixtrans-62.6-39.8176.8-69.9168.6168.900112P185 T186 T187P185-E190 HydrophobicContact CB-CB 3.61Å; T186-E190 PolarHBondContact N-OE2 3.14Å; T186-E190 PolarHBondContact OG1-OE2 3.09Å; T187-E190 PolarHBondContact N-OE2 3.28Å; T187-E190 PolarHBondContact O-N 3.41Å; T187-E190 WeakPolarHBondContact OG1-CB 3.42Å; T187-E190 VanDerWaalsContact OG1-CG 3.26Å; T187-E190 WeakPolarHBondContact OG1-CG 3.27Å; T187-E190 PolarHBondContact OG1-N 2.88Å; T187-E190 PolarHBondContact OG1-OE2 3.48Å
191Y86.7Confident73Confident14 Ų1483.8 Ų83.86%0.05548%0.475CS..Hα-helixtrans-62.4-50179.4-166.8-92.9000111.5E27 F47 P49 P185 T187 L188 E189 S194E27-Y191 HydrophobicContact CB-CD1 4.29Å; E27-Y191 HydrophobicContact CB-CE1 4.05Å; F47-Y191 HydrophobicContact CB-CE2 4.09Å; F47-Y191 WeakPolarHBondContact O-CE2 3.31Å; F47-Y191 PolarHBondContact O-OH 2.96Å; P49-Y191 HydrophobicContact CB-CE1 4.35Å; P49-Y191 HydrophobicContact CB-CE2 4.25Å; P49-Y191 HydrophobicContact CG-CE2 4.49Å; P49-Y191 WeakPolarHBondContact CG-OH 3.46Å; P185-Y191 HydrophobicContact CG-CD2 4.03Å; T187-Y191 WeakPolarHBondContact O-CB 3.47Å; T187-Y191 PolarHBondContact O-N 3.04Å; L188-Y191 PolarHBondContact O-N 3.44Å; E189-Y191 VanDerWaalsContact C-N 3.31Å; E189-Y191 PolarHBondContact O-N 2.87Å; Y191-S194 PolarHBondContact O-OG 3.5Å
192C84.3Confident70.5Confident30 Ų3087.6 Ų87.620%0.20347%0.472CS..Hα-helixtrans-76.9-26.6-177.9-64.40000113.6E27 L188 E189 S194 G195E27-C192 PolarHBondContact OE2-SG 2.88Å; E27-C192 VanDerWaalsContact OE2-SG 3.37Å; L188-C192 WeakPolarHBondContact O-CB 3.35Å; L188-C192 PolarHBondContact O-N 3.25Å; L188-C192 PolarHBondContact O-SG 3.21Å; L188-C192 VanDerWaalsContact O-SG 3.41Å; E189-C192 PolarHBondContact O-N 3.49Å; C192-S194 PolarHBondContact O-N 2.94Å; C192-G195 PolarHBondContact O-N 3.37Å
193V71.8Confident68.2Low96 Ų9697.1 Ų97.158%0.58251%0.506SS*.Hα-helixtrans-63.5-30.5176.8166.60000111.4E189 G195 R196E189-V193 VanDerWaalsContact O-CB 3.31Å; E189-V193 WeakPolarHBondContact O-CB 3.28Å; E189-V193 WeakPolarHBondContact O-CG2 3.17Å; E189-V193 PolarHBondContact O-N 3.37Å; V193-G195 PolarHBondContact O-N 2.95Å; V193-G195 VanDerWaalsContact O-N 3.1Å; V193-R196 PolarHBondContact O-N 2.75Å
194S61Low65.7Low40 Ų4096.9 Ų96.928%0.2850%0.497SS..THydrogen-bonded Turntrans-58.1-24177.970.40000114.1P25 G28 Y191 C192P25-S194 WeakPolarHBondContact CB-O 3.24Å; G28-S194 PolarHBondContact N-OG 3.5Å; Y191-S194 PolarHBondContact O-OG 3.5Å; C192-S194 PolarHBondContact O-N 2.94Å
195G56.7Low63.4Low13 Ų13101.6 Ų101.613%0.13453%0.529CS..THydrogen-bonded Turntrans-98.6-8.5-179.100000115.9P25 C192 V193P25-G195 WeakPolarHBondContact O-CA 3.45Å; C192-G195 PolarHBondContact O-N 3.37Å; V193-G195 PolarHBondContact O-N 2.95Å; V193-G195 VanDerWaalsContact O-N 3.1Å
196R55.6Low61.3Low184 Ų184106.5 Ų106.569%0.69456%0.555SS**SBendtrans-78.8131.1-177.1-70.7-171.5-176.7-164.21.9110.6V193 V198V193-R196 PolarHBondContact O-N 2.75Å; R196-V198 PolarHBondContact O-N 3.12Å
197P52.8Low59.6Low70 Ų70109.2 Ų109.246%0.45557%0.566SS.*  trans-58.6134.3170.524.7-31.9000108.6F24 S199F24-P197 HydrophobicContact CD1-CB 4.1Å; F24-P197 HydrophobicContact CD1-CG 4.2Å; F24-P197 HydrophobicContact CE1-CB 4.04Å; F24-P197 HydrophobicContact CE1-CG 4.17Å; P197-S199 PolarHBondContact O-N 2.94Å
198V53.3Low57.8Low143 Ų143112 Ų11287%0.86758%0.582SS**  trans-62.795.1168.8-179.80000106.3R196 K200R196-V198 PolarHBondContact O-N 3.12Å; V198-K200 PolarHBondContact O-N 2.65Å
199S45.7Very low56.1Low78 Ų78114.7 Ų114.755%0.54560%0.597SS.*  trans-55.9107174.5140.30000107.6P197 T201P197-S199 PolarHBondContact O-N 2.94Å; S199-T201 PolarHBondContact O-N 3.09Å; S199-T201 WeakPolarHBondContact OG-CG2 3.41Å; S199-T201 PolarHBondContact OG-N 3.43Å
200K41.4Very low54.6Low202 Ų202110.3 Ų110.388%0.87860%0.596SS**  trans-6980.1155.8-80.9-177178.9175.10106.6V198 F202V198-K200 PolarHBondContact O-N 2.65Å; K200-F202 PolarHBondContact O-N 3.5Å
201T35.1Very low53.1Low123 Ų123114.2 Ų114.276%0.75562%0.618SS**  trans-63.591.4161.227.40000107.5S199S199-T201 PolarHBondContact O-N 3.09Å; S199-T201 WeakPolarHBondContact OG-CG2 3.41Å; S199-T201 PolarHBondContact OG-N 3.43Å
202F40.9Very low51.4Low148 Ų148117.9 Ų117.965%0.64965%0.646SS**  trans-160.867.6152-154.5-105.5000110.5K200 Q204K200-F202 PolarHBondContact O-N 3.5Å; F202-Q204 HydrophobicContact CD1-CB 4.25Å; F202-Q204 HydrophobicContact CD1-CG 4.46Å; F202-Q204 HydrophobicContact CE1-CB 3.79Å; F202-Q204 HydrophobicContact CE1-CG 3.65Å; F202-Q204 HydrophobicContact CE2-CG 4.1Å; F202-Q204 HydrophobicContact CZ-CB 4.12Å; F202-Q204 HydrophobicContact CZ-CG 3.46Å; F202-Q204 VanDerWaalsContact CZ-CG 3.46Å; F202-Q204 PolarHBondContact O-N 3.43Å
203Y42.5Very low50Low233 Ų233123.3 Ų123.391%0.91467%0.673SS**  trans-85.194.3146.3-82.5-83000105.9C205Y203-C205 PolarHBondContact O-N 3.11Å
204Q38.5Very low49.6Very low120 Ų120130.1 Ų130.156%0.56169%0.69SS**  trans-63.4107.4153.8-117.4172.7-11.800105.4F202 D206F202-Q204 HydrophobicContact CD1-CB 4.25Å; F202-Q204 HydrophobicContact CD1-CG 4.46Å; F202-Q204 HydrophobicContact CE1-CB 3.79Å; F202-Q204 HydrophobicContact CE1-CG 3.65Å; F202-Q204 HydrophobicContact CE2-CG 4.1Å; F202-Q204 HydrophobicContact CZ-CB 4.12Å; F202-Q204 HydrophobicContact CZ-CG 3.46Å; F202-Q204 VanDerWaalsContact CZ-CG 3.46Å; F202-Q204 PolarHBondContact O-N 3.43Å; Q204-D206 VanDerWaalsContact C-N 3.27Å; Q204-D206 PolarHBondContact O-N 3.24Å; Q204-D206 VanDerWaalsContact O-N 3.1Å
205C44.1Very low49.5Very low124 Ų124136 Ų13684%0.83872%0.719SS**  trans-74.692.1164.866.10000106.6Y203 D207Y203-C205 PolarHBondContact O-N 3.11Å; C205-D207 PolarHBondContact O-N 3.27Å
206D44.5Very low49.6Very low120 Ų120141.3 Ų141.364%0.64274%0.744SS**  trans-76110.8168-68.9-28.4000107.7Q204Q204-D206 VanDerWaalsContact C-N 3.27Å; Q204-D206 PolarHBondContact O-N 3.24Å; Q204-D206 VanDerWaalsContact O-N 3.1Å
207D50.1Low50.1Low138 Ų138141.4 Ų141.474%0.73875%0.752SS**  trans47.5103.4138.3-61.4-43.3000119.4C205C205-D207 PolarHBondContact O-N 3.27Å
208V49.4Very low50.3Low117 Ų117143.5 Ų143.571%0.70976%0.759SS**  trans20.4124.5132-59.50000119.3
209D50.8Low50.4Low159 Ų159145.1 Ų145.185%0.8576%0.757SS**  140.5118.1126.3-75.8-28.4000112.9
210G53.9Low51.2Low69 Ų69152.2 Ų152.271%0.71177%0.773SS**  trans98.6100.9154.500000115.6
211L55.7Low52Low177 Ų177153.1 Ų153.193%0.92777%0.773SS**  168.2135.896.1-83.9162.5000109.9
212S51.3Low52.9Low92 Ų92150.8 Ų150.864%0.64377%0.774SS**  trans-76.1167.9-175.249.30000114.1
213D55.3Low53.5Low143 Ų143149 Ų14977%0.76578%0.78SS**  trans70.194.4156.9-64.7-15.8000118
214Y62.6Low54.6Low240 Ų240145.8 Ų145.894%0.94178%0.778SS**  trans-119.1120.6141.3-74.9-75.6000109.4
215D59.9Low55.5Low164 Ų164147.1 Ų147.188%0.87779%0.789SS**  trans-52138.8-178.1-111.9-35.2000113.2
216D58.5Low56.5Low124 Ų124148.6 Ų148.666%0.66379%0.789SS**  trans-60.7127.4163.5-167.329.7000109.9
217H66Low57.3Low186 Ų186150.1 Ų150.186%0.86180%0.797SS**  trans-137.696.3166.1-140.8-52.2000109.1
218D56.5Low57.7Low113 Ų113151 Ų15160%0.60480%0.802SS**  trans-63.7165.7167.7-67.2-45.5000112.3
219E55Low57.9Low177 Ų177153.1 Ų153.183%0.82781%0.809SS**  trans101.6102.1158.2-54.9-168.4-174.600117.3
220Y63Low58.5Low227 Ų227151.4 Ų151.489%0.8980%0.804SS**  -163.8129.6108.5-147.9-110.7000112.3
221Y58.9Low58.4Low221 Ų221153.1 Ų153.187%0.86781%0.805SS**  trans-80.5150.1175.1-76.1-96.1000111.7
222G53.1Low58.4Low75 Ų75150.8 Ų150.877%0.77380%0.798SS**  trans-177.185.716500000111.6
223S53.1Low58.4Low111 Ų111153.7 Ų153.778%0.77681%0.807SS**  trans-81.3125.9160.8-95.50000107.9
224D66.3Low58.4Low165 Ų165152.5 Ų152.588%0.88280%0.804SS**  trans-128.9109.7155.5-77.1-40.5000107
225D57.6Low57.8Low147 Ų147150.2 Ų150.279%0.78680%0.799SS**  trans-75.3131164-63.8-55.6000107.6
226D64.2Low56.8Low156 Ų156151.2 Ų151.283%0.83480%0.799SS**  trans-146.8104.5160.6-115.7-22000109.5
227D61.1Low56.4Low152 Ų152152.7 Ų152.781%0.81381%0.807SS**  trans-66.6131.7166.9-69.4-55000109.6
228N60.5Low55.5Low156 Ų156152 Ų15283%0.83480%0.804SS**  trans-143.7109.2156.2-96.6-54.4000110.6
229D53.2Low54.9Low161 Ų161154.1 Ų154.186%0.86181%0.81SS**  trans-101115.9175-152.9-4.3000107.1
230V63.1Low54.4Low124 Ų124152.6 Ų152.675%0.75281%0.806SS**  trans-133.2111.5170.6157.80000109.2
231S52.3Low53.5Low104 Ų104149.2 Ų149.273%0.72780%0.804SS**  trans-92.8132.5161.264.20000109.9
232T54.3Low52.5Low128 Ų128143.8 Ų143.879%0.78580%0.795SS**  trans-143.4109.5153.944.50000110
233D50.9Low52Low153 Ų153146.1 Ų146.182%0.81879%0.794SS**  trans-59.1153.9154.4-73.6-65.3000110.7
234V55.9Low51.4Low119 Ų119149.1 Ų149.172%0.72179%0.794SS**  163.1111.5128.2159.70000111.7
235K49.4Very low49.9Very low191 Ų191149.8 Ų149.883%0.8379%0.792SS**  trans70.7122.1135.1-61179-166.1177.40121.9
236E40.3Very low49.1Very low185 Ų185148.7 Ų148.786%0.86480%0.795SS**  trans-70.6149.5156.9-60.6169.2146.100111
237D49.1Very low47.5Very low155 Ų155150.8 Ų150.883%0.82980%0.8SS**  trans-148.5122.7150.2-80-41.6000109.6
238E47.9Very low46.3Very low173 Ų173149 Ų14981%0.80880%0.8SS**  trans19.1155135-67.8-167.2168.500120.7
239E44.7Very low44.8Very low156 Ų156147.1 Ų147.173%0.72980%0.799SS**  cis175168.3-7.9-167.8-169.7-14900105.4
240I44.2Very low43.8Very low145 Ų145145.3 Ų145.374%0.74479%0.794SS**  trans105.989154.3-49.6164.4000119.7
241N42.5Very low42.1Very low157 Ų157149.5 Ų149.584%0.8480%0.802SS**  44.9149.2120.6-102.5-12.5000126.4
242P39.4Very low41.2Very low106 Ų106151.7 Ų151.769%0.68880%0.803SS**  trans-115.3179.6-160.245.4-36.8000116.2
243T41.5Very low40Very low124 Ų124152.9 Ų152.976%0.76181%0.805SS**  trans-156.4136.1162.426.10000116.9
244K41.1Very low39.2Very low174 Ų174148.8 Ų148.876%0.75779%0.789SS**  trans72.9111.5142.2-66.2177.4-177.6-173.60120.4
245E35.3Very low38.1Very low180 Ų180146.4 Ų146.484%0.84179%0.788SS**  81.611275.3-87-169.6147.500114.9
246S40.2Very low38.2Very low124 Ų124142.1 Ų142.187%0.86778%0.777SS**  178.6125.9121.857.90000111.7
247Q31.5Very low39.1Very low200 Ų200139.8 Ų139.894%0.93577%0.766SS**  trans-85143.5177-66.8171.6-15.200111.8
248S35.4Very low40.2Very low115 Ų115135 Ų13580%0.80474%0.741SS**  trans-161.3105.8151.2-170.20000110.8
249S29.3Very low41.6Very low116 Ų116128.5 Ų128.581%0.81171%0.714SS**  trans-96.5124.6174.853.50000110.4
250T32.5Very low43.1Very low123 Ų123122.8 Ų122.876%0.75569%0.69SS**  trans-132123.6164.418.30000110.3
251K26.9Very low44Very low212 Ų212121.7 Ų121.792%0.92269%0.685SS**  trans-52.2127.6175.8-63.5171176179.20111.1
252I32.6Very low44.3Very low149 Ų149119 Ų11976%0.76468%0.678SS**  trans-131.3120.5165.3-57.5-178.1000110.1
253D28.4Very low43.9Very low154 Ų154121.9 Ų121.982%0.82468%0.68SS**  trans-57.2119.2166.4-179.632.9000110.2
254S34.8Very low43.3Very low67 Ų67118.9 Ų118.947%0.46967%0.668SS.*  trans-11692.7-177.564.60000110V256S254-V256 PolarHBondContact O-N 3.08Å; S254-V256 VanDerWaalsContact O-N 3.12Å
255G34Very low42.7Very low68 Ų68114 Ų11470%0.70167%0.666SS**  trans-55.7109.4144.800000106.9E257G255-E257 PolarHBondContact O-N 3.38Å
256V50.9Low42.5Very low101 Ų101115.6 Ų115.661%0.61267%0.671SS**  trans-71.5101.9-172.5-177.70000107.6S254S254-V256 PolarHBondContact O-N 3.08Å; S254-V256 VanDerWaalsContact O-N 3.12Å
257E59.4Low42.2Very low136 Ų136115.3 Ų115.364%0.63667%0.669SS**  trans-60.4139.9166.5-65-172.4140.300108.3G255 P259 K263G255-E257 PolarHBondContact O-N 3.38Å; E257-P259 WeakPolarHBondContact O-CD 3.28Å; E257-K263 IonicContact OE1-NZ 3.3Å; E257-K263 WeakPolarHBondContact OE2-CE 3.4Å; E257-K263 IonicContact OE2-NZ 2.6Å; E257-K263 PolarHBondContact OE2-NZ 3.08Å
258D71.8Confident42.2Very low56 Ų56109.2 Ų109.230%0.29966%0.66SS.*  trans-62.9116.3-177.6-174.8-1.5000110.6R62 C260 I261R62-D258 IonicContact NH1-OD1 2.87Å; R62-D258 PolarHBondContact NH1-OD1 3.39Å; R62-D258 IonicContact NH1-OD2 3.74Å; D258-C260 PolarHBondContact O-N 3.13Å; D258-C260 VanDerWaalsContact O-N 3.12Å; D258-C260 PolarHBondContact OD1-N 2.76Å; D258-I261 HydrophobicContact CB-CD1 3.92Å; D258-I261 HydrophobicContact CB-CG1 4.03Å; D258-I261 PolarHBondContact O-N 3.08Å
259P76.6Confident42.1Very low35 Ų35112.9 Ų112.923%0.22766%0.664CS.*THydrogen-bonded Turntrans-64.5-20.8-171.924.9-35.2000113.4R62 H77 L79 E257 I261R62-P259 HydrophobicContact CB-CG 4.49Å; H77-P259 HydrophobicContact CB-CB 3.85Å; H77-P259 HydrophobicContact CB-CG 3.95Å; H77-P259 VanDerWaalsContact CG-CB 3.49Å; L79-P259 HydrophobicContact CD2-CG 4.23Å; E257-P259 WeakPolarHBondContact O-CD 3.28Å; P259-I261 VanDerWaalsContact C-N 3.3Å; P259-I261 PolarHBondContact O-N 3.18Å
260C77.6Confident42.4Very low36 Ų36112.9 Ų112.924%0.24366%0.664CS.*THydrogen-bonded Turntrans-79.5-12.6178.6-580000113.3V41 R62 C64 D258 S262V41-C260 VanDerWaalsContact CG1-SG 3.57Å; V41-C260 HydrophobicContact CG2-CB 4Å; R62-C260 VanDerWaalsContact CD-SG 3.54Å; C64-C260 HydrophobicContact CB-CB 3.79Å; C64-C260 WeakPolarHBondContact CB-SG 3.47Å; C64-C260 WeakPolarHBondContact SG-CA 3.41Å; C64-C260 WeakPolarHBondContact SG-CB 3.37Å; C64-C260 CovalentContact SG-SG 2.03Å; C64-C260 PolarHBondContact SG-SG 3.11Å; D258-C260 PolarHBondContact O-N 3.13Å; D258-C260 VanDerWaalsContact O-N 3.12Å; D258-C260 PolarHBondContact OD1-N 2.76Å; C260-S262 PolarHBondContact O-N 3.29Å; C260-S262 VanDerWaalsContact O-N 3.16Å
261I63.3Low42.8Very low123 Ų123111.9 Ų111.963%0.63166%0.662SS**SBendtrans-86.988176.8-55.1179.7000108.4D258 P259 K263D258-I261 HydrophobicContact CB-CD1 3.92Å; D258-I261 HydrophobicContact CB-CG1 4.03Å; D258-I261 PolarHBondContact O-N 3.08Å; P259-I261 VanDerWaalsContact C-N 3.3Å; P259-I261 PolarHBondContact O-N 3.18Å; I261-K263 PolarHBondContact O-N 3.13Å
262S47.8Very low43Very low100 Ų100113.4 Ų113.470%0.69966%0.662SS**  trans-51.3126.7170.863.10000110.2C260 A264C260-S262 PolarHBondContact O-N 3.29Å; C260-S262 VanDerWaalsContact O-N 3.16Å; S262-A264 PolarHBondContact O-N 2.94Å
263K31.8Very low43.3Very low167 Ų167112.1 Ų112.173%0.72666%0.661SS**  trans-6589.9170.4-74.2-167.7177.5171.10108.1E257 I261 G265E257-K263 IonicContact OE1-NZ 3.3Å; E257-K263 WeakPolarHBondContact OE2-CE 3.4Å; E257-K263 IonicContact OE2-NZ 2.6Å; E257-K263 PolarHBondContact OE2-NZ 3.08Å; I261-K263 PolarHBondContact O-N 3.13Å; K263-G265 PolarHBondContact O-N 3.16Å
264A29Very low43.9Very low61 Ų61110.7 Ų110.750%0.50466%0.657SS.*  trans-51.612417300000109M1 S262 K266M1-A264 HydrophobicContact CE-CB 3.78Å; M1-A264 HydrophobicContact SD-CB 4.3Å; S262-A264 PolarHBondContact O-N 2.94Å; A264-K266 PolarHBondContact O-N 3.44Å
265G28.3Very low43.9Very low70 Ų70114.7 Ų114.772%0.72267%0.674SS**  trans-47.5126.8-162.400000115.4K263 S267K263-G265 PolarHBondContact O-N 3.16Å; G265-S267 VanDerWaalsContact C-N 3.29Å; G265-S267 PolarHBondContact O-N 3.07Å; G265-S267 VanDerWaalsContact O-N 3.08Å
266K29.9Very low44.2Very low214 Ų214120.2 Ų120.293%0.9368%0.681SS**  trans-7192.8151.2-79.1-178.7175.9177.80107.4A264 G268A264-K266 PolarHBondContact O-N 3.44Å; K266-G268 PolarHBondContact O-N 2.97Å; K266-G268 VanDerWaalsContact O-N 3.13Å
267S34.3Very low43.5Very low118 Ų118126.7 Ų126.783%0.82569%0.694SS**  trans-63.1109157.940.30000107.1G265 E269G265-S267 VanDerWaalsContact C-N 3.29Å; G265-S267 PolarHBondContact O-N 3.07Å; G265-S267 VanDerWaalsContact O-N 3.08Å; S267-E269 PolarHBondContact O-N 3.02Å
268G32.2Very low42.6Very low73 Ų73129.4 Ų129.475%0.75371%0.709SS**  trans-65.7121.8173.900000110K266 S270K266-G268 PolarHBondContact O-N 2.97Å; K266-G268 VanDerWaalsContact O-N 3.13Å; G268-S270 PolarHBondContact O-N 3.27Å; G268-S270 VanDerWaalsContact O-N 3.08Å
269E32.2Very low41.1Very low191 Ų191131.8 Ų131.889%0.89373%0.731SS**  trans-57.6101.3171.1-152.6157.1117.400109.6S267 S271S267-E269 PolarHBondContact O-N 3.02Å; E269-S271 PolarHBondContact O-N 2.97Å
270S36Very low39.3Very low116 Ų116138.2 Ų138.281%0.81176%0.763SS**  trans-83.396.2169.1-174.10000108.7G268 R272G268-S270 PolarHBondContact O-N 3.27Å; G268-S270 VanDerWaalsContact O-N 3.08Å; S270-R272 PolarHBondContact O-N 3.12Å
271S40Very low37.5Very low103 Ų103145.4 Ų145.472%0.7279%0.793SS**  trans-66.1111.5166.548.10000109.7E269 V273E269-S271 PolarHBondContact O-N 2.97Å; S271-V273 PolarHBondContact O-N 3.2Å
272R32.3Very low36.2Very low244 Ų244145.5 Ų145.592%0.92180%0.803SS**  trans-67.5105165.1-79.8177.4168.8165.4-3.1109.6S270S270-R272 PolarHBondContact O-N 3.12Å
273V39.6Very low36Very low122 Ų122145 Ų14574%0.73980%0.8SS**  trans-147.5104.8162.2-177.50000110.7S271S271-V273 PolarHBondContact O-N 3.2Å
274V39.4Very low36.5Very low123 Ų123148.1 Ų148.175%0.74581%0.807SS**  trans79.3110.5139.3-172.60000119.9
275D34.4Very low37.1Very low151 Ų151151 Ų15181%0.80782%0.818SS**  trans-47.4127156.2-100.2-58.2000113.4
276H42.3Very low38Very low185 Ų185153.2 Ų153.286%0.85682%0.818SS**  trans-144.4111.9145.4-97.5-29.9000111.3
277R35.4Very low38.7Very low236 Ų236148.2 Ų148.289%0.89181%0.81SS**  trans-43.8133.9162.2-83.3173.5165.1172.2-4.7111.5
278M40.3Very low39.3Very low193 Ų193148.2 Ų148.295%0.95181%0.807SS**  trans-158.3124.3134.2-112178.4152.500111.1
279S39.7Very low40.5Very low107 Ų107154.1 Ų154.175%0.74884%0.837SS**  trans-62.2147.1178.7-46.70000112.7
280N39.9Very low40.9Very low170 Ų170152.3 Ų152.391%0.90983%0.834SS**  trans-151112.7143.5-97.7-19.2000109.2
281E39.6Very low41.2Very low186 Ų186154.2 Ų154.287%0.86984%0.835SS**  trans-72.1145.3169.1-72.7168.5106.200110.7
282C36.7Very low41.2Very low125 Ų125157.1 Ų157.185%0.84584%0.842SS**  trans-145.997.8143.7-147.50000109.1
283S43Very low41.8Very low91 Ų91151.9 Ų151.964%0.63684%0.837SS**  trans-12.8145.8151.350.30000116.2
284R42.4Very low41.9Very low232 Ų232153.8 Ų153.888%0.87584%0.843SS**  165142.760-133.3172.8-157.61684103.3
285V42.1Very low42.1Very low120 Ų120155.9 Ų155.973%0.72785%0.85SS**  -178.8122.570.21730000108.5
286T46.9Very low42.6Very low118 Ų118156.2 Ų156.272%0.72485%0.853SS**  trans-7.4144.5147.554.40000119.5
287S43.4Very low42.6Very low109 Ų109154 Ų15476%0.76285%0.852SS**  -178.416581.4-68.30000112.7
288P46.5Very low43.2Very low117 Ų117147.2 Ų147.276%0.7685%0.849SS**  trans-113165.3-148.640.7-31.5000116.3
289S58.3Low43.5Very low198 Ų198143 Ų143100%1.38584%0.84SS**  trans-152.20138.5-71.40000108.5

Retrieved 289 of 289 residues in 51.9 ms (Link to these results)

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