A0AA82MJX1_SCHMA Loading...

Transgelin AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MJX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 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
1M41.8Very low75.4Confident212 Ų212112.4 Ų112.4100%1.04456%0.563SS**  0124.70-63.2-176.9-47.400107.4E3M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.37Å
2L50.1Low77Confident111 Ų111109.8 Ų109.858%0.58155%0.548SS*.  trans-89.226.8-172.4-96132.7000113.1G4 K5L2-G4 PolarHBondContact O-N 3.24Å; L2-G4 VanDerWaalsContact O-N 3.14Å; L2-K5 HydrophobicContact CD2-CD 3.55Å; L2-K5 VanDerWaalsContact CD2-CE 3.4Å; L2-K5 HydrophobicContact CD2-CG 4.18Å; L2-K5 PolarHBondContact O-N 3.01Å
3E51.8Low78.4Confident146 Ų146105.1 Ų105.168%0.68253%0.532SS*.G310 helixtrans-62.1-24.2-174.4-68.2-179131.600113.3M1 K5M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 3.37Å; E3-K5 PolarHBondContact O-N 3.49Å
4G57.2Low79.8Confident85 Ų8597.6 Ų97.688%0.87649%0.494SS*.G310 helixtrans-71.3-4.3-179.400000116.3L2L2-G4 PolarHBondContact O-N 3.24Å; L2-G4 VanDerWaalsContact O-N 3.14Å
5K77.4Confident80.9Confident132 Ų13291.1 Ų91.157%0.57446%0.461SS*.G310 helixtrans-99.7-13.7-179.5-67.9-169.4-176.6176.50114.6L2 E3 A101L2-K5 HydrophobicContact CD2-CD 3.55Å; L2-K5 VanDerWaalsContact CD2-CE 3.4Å; L2-K5 HydrophobicContact CD2-CG 4.18Å; L2-K5 PolarHBondContact O-N 3.01Å; E3-K5 PolarHBondContact O-N 3.49Å; K5-A101 HydrophobicContact CB-CB 4.07Å
6R89.6Confident81.8Confident95 Ų9590.8 Ų90.836%0.35846%0.461SS..  trans-89.6135.2-176.6-68.7-179.365.91782.8110.4E11 E33 A101R6-E11 IonicContact CZ-OE1 2.68Å; R6-E11 IonicContact CZ-OE2 2.89Å; R6-E11 IonicContact NE-OE1 3.6Å; R6-E11 PolarHBondContact NE-OE1 3.2Å; R6-E11 IonicContact NE-OE2 2.7Å; R6-E11 VanDerWaalsContact NH2-CD 3.25Å; R6-E11 IonicContact NH2-OE1 3.53Å; R6-E11 PolarHBondContact NH2-OE1 3.23Å; R6-E11 IonicContact NH2-OE2 3.29Å; R6-E11 PolarHBondContact NH2-OE2 3.14Å; R6-E33 IonicContact CZ-OE2 3.16Å; R6-E33 IonicContact NH1-OE2 3.84Å; R6-E33 PolarHBondContact NH1-OE2 3.28Å; R6-E33 IonicContact NH2-OE2 3.08Å; R6-E33 PolarHBondContact NH2-OE2 3.18Å; R6-A101 HydrophobicContact CG-CB 4.49Å
7D90.7Very high82.7Confident66 Ų6685.8 Ų85.835%0.35344%0.435SS..  trans-116.8112175-178.7-20.9000108.4D9 Q10 E11D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.21Å; D7-D9 WeakPolarHBondContact OD1-CB 3.32Å; D7-D9 PolarHBondContact OD1-N 3.01Å; D7-Q10 HydrophobicContact CB-CB 3.96Å; D7-Q10 HydrophobicContact CB-CG 3.95Å; D7-Q10 PolarHBondContact O-N 3.31Å; D7-Q10 PolarHBondContact OD1-N 3.11Å; D7-Q10 WeakPolarHBondContact OD2-CG 3.26Å; D7-E11 WeakPolarHBondContact O-CG 3.5Å; D7-E11 PolarHBondContact O-N 3.11Å
8R91Very high83.6Confident198 Ų19881.1 Ų81.175%0.74741%0.411SS*.Hα-helixtrans-66.6-30.9-177-68.4-154.9-68.5-171.2-3.5112.4Q10 E11 Q12R8-Q10 VanDerWaalsContact C-N 3.35Å; R8-E11 PolarHBondContact O-N 3.35Å; R8-Q12 WeakPolarHBondContact O-CG 3.42Å; R8-Q12 PolarHBondContact O-N 3.43Å
9D91.5Very high84.3Confident123 Ų12377.6 Ų77.666%0.65839%0.393SS*.Hα-helixtrans-71.9-36.8179.2-63.3-27.9000110.1D7 Q12 S13D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.21Å; D7-D9 WeakPolarHBondContact OD1-CB 3.32Å; D7-D9 PolarHBondContact OD1-N 3.01Å; D9-Q12 PolarHBondContact O-N 3.08Å; D9-S13 WeakPolarHBondContact O-CB 3.41Å; D9-S13 PolarHBondContact O-N 3.41Å; D9-S13 PolarHBondContact O-OG 2.89Å
10Q93.3Very high84.8Confident61 Ų6176.5 Ų76.529%0.28540%0.396SS..Hα-helixtrans-64-43.5170.8-73.6-174.811.800112.2D7 R8 S13 V14 T104 Q105 Y108D7-Q10 HydrophobicContact CB-CB 3.96Å; D7-Q10 HydrophobicContact CB-CG 3.95Å; D7-Q10 PolarHBondContact O-N 3.31Å; D7-Q10 PolarHBondContact OD1-N 3.11Å; D7-Q10 WeakPolarHBondContact OD2-CG 3.26Å; R8-Q10 VanDerWaalsContact C-N 3.35Å; Q10-S13 PolarHBondContact O-N 3.29Å; Q10-V14 WeakPolarHBondContact O-CG2 3.39Å; Q10-V14 PolarHBondContact O-N 3.27Å; Q10-T104 HydrophobicContact CB-CG2 4.06Å; Q10-Q105 VanDerWaalsContact OE1-NE2 3.15Å; Q10-Y108 WeakPolarHBondContact CA-OH 3.39Å; Q10-Y108 HydrophobicContact CB-CE2 3.87Å; Q10-Y108 HydrophobicContact CG-CE2 4.18Å; Q10-Y108 PolarHBondContact O-OH 2.79Å
11E95.5Very high85.4Confident7 Ų773.3 Ų73.33%0.03338%0.38CS..Hα-helixtrans-61.2-43.5176.3-72.9175.9-170.500112R6 D7 R8 V14 L15 Y32 T104R6-E11 IonicContact CZ-OE1 2.68Å; R6-E11 IonicContact CZ-OE2 2.89Å; R6-E11 IonicContact NE-OE1 3.6Å; R6-E11 PolarHBondContact NE-OE1 3.2Å; R6-E11 IonicContact NE-OE2 2.7Å; R6-E11 VanDerWaalsContact NH2-CD 3.25Å; R6-E11 IonicContact NH2-OE1 3.53Å; R6-E11 PolarHBondContact NH2-OE1 3.23Å; R6-E11 IonicContact NH2-OE2 3.29Å; R6-E11 PolarHBondContact NH2-OE2 3.14Å; D7-E11 WeakPolarHBondContact O-CG 3.5Å; D7-E11 PolarHBondContact O-N 3.11Å; R8-E11 PolarHBondContact O-N 3.35Å; E11-V14 PolarHBondContact O-N 3.43Å; E11-L15 WeakPolarHBondContact O-CG 3.48Å; E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.09Å; E11-Y32 HydrophobicContact CB-CD1 4.3Å; E11-Y32 HydrophobicContact CB-CD2 3.64Å; E11-Y32 HydrophobicContact CB-CE2 3.99Å; E11-Y32 HydrophobicContact CB-CG 3.8Å; E11-Y32 HydrophobicContact CG-CD1 3.78Å; E11-Y32 HydrophobicContact CG-CD2 4.03Å; E11-Y32 HydrophobicContact CG-CE1 3.96Å; E11-Y32 HydrophobicContact CG-CE2 4.2Å; E11-Y32 HydrophobicContact CG-CG 3.8Å; E11-Y32 WeakPolarHBondContact OE2-CB 3.11Å; E11-T104 HydrophobicContact CG-CG2 4.45Å
12Q94.3Very high88Confident82 Ų8264.7 Ų64.738%0.38334%0.338SS..Hα-helixtrans-64.2-42.8175.1-69-46.4-56.800111.9R8 D9 V14 L15 D16R8-Q12 WeakPolarHBondContact O-CG 3.42Å; R8-Q12 PolarHBondContact O-N 3.43Å; D9-Q12 PolarHBondContact O-N 3.08Å; Q12-V14 VanDerWaalsContact C-N 3.27Å; Q12-V14 PolarHBondContact O-N 2.91Å; Q12-L15 PolarHBondContact O-N 3.15Å; Q12-L15 VanDerWaalsContact O-N 3.1Å; Q12-D16 PolarHBondContact O-N 3.14Å
13S94.9Very high90.1Very high48 Ų4862.7 Ų62.734%0.33635%0.345SS..Hα-helixtrans-59.8-38.3176.6-60.30000112D9 Q10 D16 W17 Y108 L125D9-S13 WeakPolarHBondContact O-CB 3.41Å; D9-S13 PolarHBondContact O-N 3.41Å; D9-S13 PolarHBondContact O-OG 2.89Å; Q10-S13 PolarHBondContact O-N 3.29Å; S13-D16 PolarHBondContact O-N 3.36Å; S13-W17 WeakPolarHBondContact O-CB 3.41Å; S13-W17 PolarHBondContact O-N 2.96Å; S13-Y108 WeakPolarHBondContact CB-OH 3.46Å; S13-L125 WeakPolarHBondContact O-CD1 3.44Å
14V97.7Very high92.1Very high0 Ų059.3 Ų59.30%033%0.334CS..Hα-helixtrans-63.2-46.6173.9167.80000111.2Q10 E11 Q12 W17 I18 Y32 T104 L107 Y108 L125Q10-V14 WeakPolarHBondContact O-CG2 3.39Å; Q10-V14 PolarHBondContact O-N 3.27Å; E11-V14 PolarHBondContact O-N 3.43Å; Q12-V14 VanDerWaalsContact C-N 3.27Å; Q12-V14 PolarHBondContact O-N 2.91Å; V14-W17 PolarHBondContact O-N 3.48Å; V14-I18 HydrophobicContact CG1-CD1 3.94Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.03Å; V14-I18 PolarHBondContact O-N 3.19Å; V14-Y32 HydrophobicContact CB-CE2 4.09Å; V14-Y32 HydrophobicContact CG1-CE2 3.91Å; V14-T104 HydrophobicContact CG2-CG2 4.01Å; V14-L107 HydrophobicContact CG1-CB 3.94Å; V14-L107 HydrophobicContact CG1-CD1 3.48Å; V14-L107 VanDerWaalsContact CG1-CD1 3.48Å; V14-L107 HydrophobicContact CG1-CG 4.28Å; V14-L107 HydrophobicContact CG2-CB 4.22Å; V14-Y108 HydrophobicContact CG2-CD2 3.91Å; V14-Y108 HydrophobicContact CG2-CE2 3.57Å; V14-L125 HydrophobicContact CG2-CD1 4.26Å; V14-L125 HydrophobicContact CG2-CD2 3.84Å
15L97.4Very high93.8Very high1 Ų163.7 Ų63.71%0.00533%0.329CS..Hα-helixtrans-64.9-40.2178.5-66.5-179.7000111.7E11 Q12 W17 I18 E19 V26 R28 Y32 I35 L36E11-L15 WeakPolarHBondContact O-CG 3.48Å; E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.09Å; Q12-L15 PolarHBondContact O-N 3.15Å; Q12-L15 VanDerWaalsContact O-N 3.1Å; L15-W17 VanDerWaalsContact C-N 3.29Å; L15-W17 PolarHBondContact O-N 3.45Å; L15-I18 PolarHBondContact O-N 3.27Å; L15-E19 WeakPolarHBondContact O-CG 3.31Å; L15-E19 PolarHBondContact O-N 2.94Å; L15-V26 HydrophobicContact CB-CG2 4.49Å; L15-V26 HydrophobicContact CD2-CG2 4.42Å; L15-R28 VanDerWaalsContact C-NH2 3.31Å; L15-R28 PolarHBondContact O-NH2 3.28Å; L15-Y32 HydrophobicContact CD1-CD2 4Å; L15-Y32 HydrophobicContact CD2-CD2 3.86Å; L15-Y32 HydrophobicContact CD2-CE2 4.04Å; L15-Y32 HydrophobicContact CG-CD2 3.73Å; L15-Y32 HydrophobicContact CG-CE2 4.07Å; L15-I35 HydrophobicContact CD1-CD1 3.8Å; L15-I35 HydrophobicContact CD2-CD1 4.41Å; L15-I35 HydrophobicContact CD2-CG2 4.05Å; L15-L36 HydrophobicContact CD2-CD2 4.33Å
16D95.5Very high94.6Very high85 Ų8558.2 Ų58.246%0.45531%0.306SS..Hα-helixtrans-59.6-42.9175-66.5-13.7000111Q12 S13 E19 A20 R28Q12-D16 PolarHBondContact O-N 3.14Å; S13-D16 PolarHBondContact O-N 3.36Å; D16-E19 PolarHBondContact O-N 3.18Å; D16-A20 WeakPolarHBondContact O-CB 3.32Å; D16-A20 PolarHBondContact O-N 3.42Å; D16-R28 IonicContact OD1-CZ 4Å; D16-R28 VanDerWaalsContact OD1-CZ 3.29Å; D16-R28 IonicContact OD1-NH1 3.2Å; D16-R28 PolarHBondContact OD1-NH1 3.14Å; D16-R28 VanDerWaalsContact OD1-NH1 3.08Å; D16-R28 IonicContact OD1-NH2 2.9Å; D16-R28 PolarHBondContact OD1-NH2 3.49Å
17W96.7Very high94.8Very high7 Ų757.3 Ų57.33%0.02731%0.309CS..Hα-helixtrans-64.4-43.8175.1178.874.7000112.3S13 V14 L15 E19 A20 V21 V45 L49 L110 P123 T124 L125S13-W17 WeakPolarHBondContact O-CB 3.41Å; S13-W17 PolarHBondContact O-N 2.96Å; V14-W17 PolarHBondContact O-N 3.48Å; L15-W17 VanDerWaalsContact C-N 3.29Å; L15-W17 PolarHBondContact O-N 3.45Å; W17-E19 PolarHBondContact O-N 2.91Å; W17-A20 PolarHBondContact O-N 3.21Å; W17-V21 HydrophobicContact CD2-CG2 4.09Å; W17-V21 HydrophobicContact CG-CG2 4.4Å; W17-V21 HydrophobicContact CZ2-CG2 3.93Å; W17-V21 WeakPolarHBondContact O-CB 3.44Å; W17-V21 VanDerWaalsContact O-CG2 3.29Å; W17-V21 WeakPolarHBondContact O-CG2 2.7Å; W17-V21 PolarHBondContact O-N 3.08Å; W17-V45 HydrophobicContact CH2-CG1 3.93Å; W17-V45 HydrophobicContact CZ3-CG1 3.94Å; W17-L49 HydrophobicContact CH2-CD1 4.09Å; W17-L49 HydrophobicContact CZ2-CD1 4.33Å; W17-L110 HydrophobicContact CH2-CD2 3.93Å; W17-L110 HydrophobicContact CH2-CG 3.97Å; W17-L110 HydrophobicContact CZ3-CD2 4.32Å; W17-P123 PolarHBondContact NE1-O 3.41Å; W17-T124 VanDerWaalsContact CD1-C 3.48Å; W17-L125 HydrophobicContact CB-CB 4.11Å; W17-L125 HydrophobicContact CB-CD1 3.97Å; W17-L125 HydrophobicContact CB-CG 4.43Å; W17-L125 HydrophobicContact CD2-CB 3.93Å; W17-L125 HydrophobicContact CD2-CD2 4.2Å; W17-L125 HydrophobicContact CE3-CD2 4.06Å; W17-L125 HydrophobicContact CG-CB 3.66Å; W17-L125 HydrophobicContact CG-CD1 4.44Å; W17-L125 HydrophobicContact CG-CD2 4.42Å; W17-L125 HydrophobicContact CG-CG 4.38Å
18I98Very high94.9Very high0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-59.5-46.8175.5-71.3174000110.8V14 L15 A20 V21 L22 L36 V45V14-I18 HydrophobicContact CG1-CD1 3.94Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.32Å; V14-I18 WeakPolarHBondContact O-CG1 3.03Å; V14-I18 PolarHBondContact O-N 3.19Å; L15-I18 PolarHBondContact O-N 3.27Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 2.94Å; I18-V21 PolarHBondContact O-N 3.41Å; I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 HydrophobicContact CG2-CG 4.46Å; I18-L22 WeakPolarHBondContact O-CB 3.04Å; I18-L22 WeakPolarHBondContact O-CG 3.3Å; I18-L22 PolarHBondContact O-N 3.03Å; I18-L36 HydrophobicContact CD1-CD2 3.69Å; I18-V45 HydrophobicContact CB-CG2 4.3Å; I18-V45 HydrophobicContact CG1-CG2 4Å; I18-V45 HydrophobicContact CG2-CG2 3.82Å
19E97Very high95.1Very high15 Ų1553.4 Ų53.47%0.0731%0.305CS..Hα-helixtrans-61.3-41.3177.5-70.6-173.9159.100111.7L15 D16 W17 G23 T24 K25 V26 R28L15-E19 WeakPolarHBondContact O-CG 3.31Å; L15-E19 PolarHBondContact O-N 2.94Å; D16-E19 PolarHBondContact O-N 3.18Å; W17-E19 PolarHBondContact O-N 2.91Å; E19-G23 VanDerWaalsContact O-CA 3.29Å; E19-G23 WeakPolarHBondContact O-CA 3.46Å; E19-G23 PolarHBondContact O-N 2.85Å; E19-T24 VanDerWaalsContact CA-O 3.31Å; E19-T24 WeakPolarHBondContact CA-O 3.46Å; E19-T24 WeakPolarHBondContact CB-O 3.29Å; E19-T24 WeakPolarHBondContact CG-O 3.27Å; E19-T24 PolarHBondContact O-N 3.08Å; E19-K25 HydrophobicContact CG-CD 4.37Å; E19-K25 WeakPolarHBondContact OE1-CA 3.49Å; E19-K25 WeakPolarHBondContact OE1-CD 3.3Å; E19-K25 VanDerWaalsContact OE2-CD 3.27Å; E19-K25 WeakPolarHBondContact OE2-CD 3.42Å; E19-K25 IonicContact OE2-NZ 2.68Å; E19-K25 PolarHBondContact OE2-NZ 2.83Å; E19-V26 HydrophobicContact CG-CG1 4.15Å; E19-V26 HydrophobicContact CG-CG2 4.06Å; E19-V26 WeakPolarHBondContact OE1-CG2 3.42Å; E19-V26 PolarHBondContact OE1-N 2.92Å; E19-R28 IonicContact OE1-CZ 3.16Å; E19-R28 IonicContact OE1-NE 2.99Å; E19-R28 PolarHBondContact OE1-NE 3.31Å; E19-R28 VanDerWaalsContact OE1-NE 3.16Å; E19-R28 IonicContact OE1-NH2 2.91Å; E19-R28 PolarHBondContact OE1-NH2 3.14Å; E19-R28 IonicContact OE2-CZ 2.9Å; E19-R28 IonicContact OE2-NE 3.71Å; E19-R28 IonicContact OE2-NH2 3.83Å; E19-R28 PolarHBondContact OE2-NH2 2.96Å
20A95.7Very high95.2Very high55 Ų5553 Ų5346%0.45530%0.297SS..Hα-helixtrans-68.2-40178.600000112.1D16 W17 I18 P123D16-A20 WeakPolarHBondContact O-CB 3.32Å; D16-A20 PolarHBondContact O-N 3.42Å; W17-A20 PolarHBondContact O-N 3.21Å; I18-A20 VanDerWaalsContact C-N 3.32Å; I18-A20 PolarHBondContact O-N 2.94Å; A20-P123 HydrophobicContact CB-CB 3.7Å; A20-P123 HydrophobicContact CB-CG 3.49Å; A20-P123 VanDerWaalsContact CB-CG 3.49Å
21V96.7Very high95.3Very high10 Ų1053.4 Ų53.46%0.06131%0.305CS..Hα-helixtrans-66-46.2177.3169.20000110.6W17 I18 V45 K48 L49 P123W17-V21 HydrophobicContact CD2-CG2 4.09Å; W17-V21 HydrophobicContact CG-CG2 4.4Å; W17-V21 HydrophobicContact CZ2-CG2 3.93Å; W17-V21 WeakPolarHBondContact O-CB 3.44Å; W17-V21 VanDerWaalsContact O-CG2 3.29Å; W17-V21 WeakPolarHBondContact O-CG2 2.7Å; W17-V21 PolarHBondContact O-N 3.08Å; I18-V21 PolarHBondContact O-N 3.41Å; V21-V45 HydrophobicContact CG1-CG1 4.36Å; V21-K48 HydrophobicContact CG1-CB 4.06Å; V21-K48 HydrophobicContact CG1-CG 3.76Å; V21-K48 WeakPolarHBondContact O-CE 3.39Å; V21-K48 WeakPolarHBondContact O-CG 3.3Å; V21-L49 HydrophobicContact CG1-CD2 4.1Å; V21-L49 HydrophobicContact CG1-CG 4.43Å; V21-P123 HydrophobicContact CG2-CB 4.45Å; V21-P123 HydrophobicContact CG2-CG 4.33Å
22L96.6Very high95.3Very high32 Ų3253.4 Ų53.417%0.16831%0.305CS..Hα-helixtrans-80.3-24.7-177.1-64.8-177.1000113.6I18 T24 L41 K44 V45 K48I18-L22 HydrophobicContact CG2-CD1 3.93Å; I18-L22 HydrophobicContact CG2-CG 4.46Å; I18-L22 WeakPolarHBondContact O-CB 3.04Å; I18-L22 WeakPolarHBondContact O-CG 3.3Å; I18-L22 PolarHBondContact O-N 3.03Å; L22-T24 WeakPolarHBondContact CB-OG1 3.27Å; L22-L41 HydrophobicContact CD1-CD2 3.76Å; L22-K44 HydrophobicContact CD1-CB 4.23Å; L22-K44 HydrophobicContact CD2-CB 3.9Å; L22-V45 HydrophobicContact CD1-CG2 4.05Å; L22-V45 HydrophobicContact CD2-CG2 4.15Å; L22-V45 HydrophobicContact CG-CG2 4Å; L22-K48 HydrophobicContact CD2-CB 4.1Å
23G94.7Very high95.4Very high69 Ų6950.5 Ų50.571%0.71129%0.291SS*.THydrogen-bonded Turntrans71.120.6-170.800000113.1E19E19-G23 VanDerWaalsContact O-CA 3.29Å; E19-G23 WeakPolarHBondContact O-CA 3.46Å; E19-G23 PolarHBondContact O-N 2.85Å
24T93.4Very high95.5Very high75 Ų7551.3 Ų51.346%0.4629%0.29SS..  trans-129.8142.7-177.458.80000110.5E19 L22E19-T24 VanDerWaalsContact CA-O 3.31Å; E19-T24 WeakPolarHBondContact CA-O 3.46Å; E19-T24 WeakPolarHBondContact CB-O 3.29Å; E19-T24 WeakPolarHBondContact CG-O 3.27Å; E19-T24 PolarHBondContact O-N 3.08Å; L22-T24 WeakPolarHBondContact CB-OG1 3.27Å
25K93.2Very high95.5Very high177 Ų17752 Ų5277%0.7729%0.293SS*.  trans-79.5139.7174.7-69.3-63.3-175.5177.10111.6E19E19-K25 HydrophobicContact CG-CD 4.37Å; E19-K25 WeakPolarHBondContact OE1-CA 3.49Å; E19-K25 WeakPolarHBondContact OE1-CD 3.3Å; E19-K25 VanDerWaalsContact OE2-CD 3.27Å; E19-K25 WeakPolarHBondContact OE2-CD 3.42Å; E19-K25 IonicContact OE2-NZ 2.68Å; E19-K25 PolarHBondContact OE2-NZ 2.83Å
26V94.3Very high95.5Very high17 Ų1751.9 Ų51.910%0.10329%0.293CS..  trans-94.4157.1171.8-58.80000110L15 E19 R28 I35 L41L15-V26 HydrophobicContact CB-CG2 4.49Å; L15-V26 HydrophobicContact CD2-CG2 4.42Å; E19-V26 HydrophobicContact CG-CG1 4.15Å; E19-V26 HydrophobicContact CG-CG2 4.06Å; E19-V26 WeakPolarHBondContact OE1-CG2 3.42Å; E19-V26 PolarHBondContact OE1-N 2.92Å; V26-R28 HydrophobicContact CG2-CG 4.38Å; V26-R28 PolarHBondContact O-N 3.21Å; V26-I35 HydrophobicContact CB-CG2 4Å; V26-I35 HydrophobicContact CG1-CG2 4.29Å; V26-I35 HydrophobicContact CG2-CD1 4.41Å; V26-I35 HydrophobicContact CG2-CG2 4.27Å; V26-L41 HydrophobicContact CG1-CD1 3.67Å; V26-L41 HydrophobicContact CG1-CD2 4.26Å
27D93.8Very high95.6Very high76 Ų7650.6 Ų50.641%0.40628%0.283SS..  trans-7589.1177.1-179.79.7000110.9S29 K30 I35D27-S29 VanDerWaalsContact CG-OG 3.28Å; D27-S29 PolarHBondContact O-N 3.21Å; D27-S29 VanDerWaalsContact O-N 3.12Å; D27-S29 VanDerWaalsContact OD1-CB 3.29Å; D27-S29 WeakPolarHBondContact OD1-CB 3.41Å; D27-S29 PolarHBondContact OD1-N 2.82Å; D27-S29 VanDerWaalsContact OD1-N 3.15Å; D27-S29 PolarHBondContact OD1-OG 3.28Å; D27-S29 PolarHBondContact OD2-OG 3Å; D27-K30 HydrophobicContact CB-CD 4.49Å; D27-K30 PolarHBondContact O-N 3.21Å; D27-K30 WeakPolarHBondContact OD2-CE 3.39Å; D27-K30 IonicContact OD2-NZ 2.77Å; D27-I35 WeakPolarHBondContact O-CD1 3.43Å
28R91.8Very high95.6Very high81 Ų8152.9 Ų52.931%0.30630%0.295SS..THydrogen-bonded Turntrans-66.9-4.3179.4-58.4-67.9-177.7133.93.9114L15 D16 E19 V26 K30L15-R28 VanDerWaalsContact C-NH2 3.31Å; L15-R28 PolarHBondContact O-NH2 3.28Å; D16-R28 IonicContact OD1-CZ 4Å; D16-R28 VanDerWaalsContact OD1-CZ 3.29Å; D16-R28 IonicContact OD1-NH1 3.2Å; D16-R28 PolarHBondContact OD1-NH1 3.14Å; D16-R28 VanDerWaalsContact OD1-NH1 3.08Å; D16-R28 IonicContact OD1-NH2 2.9Å; D16-R28 PolarHBondContact OD1-NH2 3.49Å; E19-R28 IonicContact OE1-CZ 3.16Å; E19-R28 IonicContact OE1-NE 2.99Å; E19-R28 PolarHBondContact OE1-NE 3.31Å; E19-R28 VanDerWaalsContact OE1-NE 3.16Å; E19-R28 IonicContact OE1-NH2 2.91Å; E19-R28 PolarHBondContact OE1-NH2 3.14Å; E19-R28 IonicContact OE2-CZ 2.9Å; E19-R28 IonicContact OE2-NE 3.71Å; E19-R28 IonicContact OE2-NH2 3.83Å; E19-R28 PolarHBondContact OE2-NH2 2.96Å; V26-R28 HydrophobicContact CG2-CG 4.38Å; V26-R28 PolarHBondContact O-N 3.21Å; R28-K30 PolarHBondContact O-N 3.14Å
29S94.1Very high95.6Very high101 Ų10152.9 Ų52.971%0.70630%0.295SS*.THydrogen-bonded Turntrans-72.5-20172.475.50000112.5D27D27-S29 VanDerWaalsContact CG-OG 3.28Å; D27-S29 PolarHBondContact O-N 3.21Å; D27-S29 VanDerWaalsContact O-N 3.12Å; D27-S29 VanDerWaalsContact OD1-CB 3.29Å; D27-S29 WeakPolarHBondContact OD1-CB 3.41Å; D27-S29 PolarHBondContact OD1-N 2.82Å; D27-S29 VanDerWaalsContact OD1-N 3.15Å; D27-S29 PolarHBondContact OD1-OG 3.28Å; D27-S29 PolarHBondContact OD2-OG 3Å
30K94.6Very high95.6Very high113 Ų11352.5 Ų52.549%0.49129%0.294SS..SBendtrans-91.5150.9179.6-66.9174.4-177.8166.70111.6D27 R28 I35D27-K30 HydrophobicContact CB-CD 4.49Å; D27-K30 PolarHBondContact O-N 3.21Å; D27-K30 WeakPolarHBondContact OD2-CE 3.39Å; D27-K30 IonicContact OD2-NZ 2.77Å; R28-K30 PolarHBondContact O-N 3.14Å; K30-I35 HydrophobicContact CB-CD1 4.47Å; K30-I35 HydrophobicContact CB-CG1 3.83Å; K30-I35 WeakPolarHBondContact O-CD1 3.43Å
31P95.3Very high95.7Very high71 Ų7151.3 Ų51.346%0.46128%0.28SS..  trans-57.2146.7170.1-23.433.8000112E33 E34 I35P31-E33 VanDerWaalsContact C-N 3.26Å; P31-E33 PolarHBondContact O-N 3.22Å; P31-E33 VanDerWaalsContact O-N 3.16Å; P31-E34 HydrophobicContact CB-CG 4.42Å; P31-E34 HydrophobicContact CG-CG 4.39Å; P31-E34 PolarHBondContact O-N 3.28Å; P31-I35 PolarHBondContact O-N 3.14Å; P31-I35 VanDerWaalsContact O-N 3.1Å
32Y96.8Very high95.8Very high7 Ų750.8 Ų50.83%0.02728%0.277CS..Hα-helixtrans-44.9-49.7179.6170.6-100.2000112.8E11 V14 L15 E34 I35 L36 I100 T104E11-Y32 HydrophobicContact CB-CD1 4.3Å; E11-Y32 HydrophobicContact CB-CD2 3.64Å; E11-Y32 HydrophobicContact CB-CE2 3.99Å; E11-Y32 HydrophobicContact CB-CG 3.8Å; E11-Y32 HydrophobicContact CG-CD1 3.78Å; E11-Y32 HydrophobicContact CG-CD2 4.03Å; E11-Y32 HydrophobicContact CG-CE1 3.96Å; E11-Y32 HydrophobicContact CG-CE2 4.2Å; E11-Y32 HydrophobicContact CG-CG 3.8Å; E11-Y32 WeakPolarHBondContact OE2-CB 3.11Å; V14-Y32 HydrophobicContact CB-CE2 4.09Å; V14-Y32 HydrophobicContact CG1-CE2 3.91Å; L15-Y32 HydrophobicContact CD1-CD2 4Å; L15-Y32 HydrophobicContact CD2-CD2 3.86Å; L15-Y32 HydrophobicContact CD2-CE2 4.04Å; L15-Y32 HydrophobicContact CG-CD2 3.73Å; L15-Y32 HydrophobicContact CG-CE2 4.07Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-E34 PolarHBondContact O-N 2.69Å; Y32-I35 WeakPolarHBondContact O-CB 3.33Å; Y32-I35 PolarHBondContact O-N 3.01Å; Y32-L36 HydrophobicContact CD1-CD1 4.47Å; Y32-L36 HydrophobicContact CD2-CD1 4.36Å; Y32-L36 HydrophobicContact CE1-CD1 3.82Å; Y32-L36 HydrophobicContact CE2-CD1 3.68Å; Y32-L36 PolarHBondContact O-N 3.39Å; Y32-L36 WeakPolarHBondContact OH-CD1 3.4Å; Y32-I100 HydrophobicContact CD1-CG2 3.67Å; Y32-I100 HydrophobicContact CE1-CG2 3.74Å; Y32-T104 WeakPolarHBondContact CE1-OG1 3.29Å; Y32-T104 PolarHBondContact OH-OG1 3.26Å
33E95.8Very high95.9Very high20 Ų2049.3 Ų49.39%0.09327%0.269CS..Hα-helixtrans-71.2-26.8-176.670.3-82.2-176.100113.5R6 P31 K37 K97 I100R6-E33 IonicContact CZ-OE2 3.16Å; R6-E33 IonicContact NH1-OE2 3.84Å; R6-E33 PolarHBondContact NH1-OE2 3.28Å; R6-E33 IonicContact NH2-OE2 3.08Å; R6-E33 PolarHBondContact NH2-OE2 3.18Å; P31-E33 VanDerWaalsContact C-N 3.26Å; P31-E33 PolarHBondContact O-N 3.22Å; P31-E33 VanDerWaalsContact O-N 3.16Å; E33-K37 WeakPolarHBondContact O-CA 3.11Å; E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.3Å; E33-K37 PolarHBondContact O-N 3.18Å; E33-K97 HydrophobicContact CG-CD 3.67Å; E33-K97 HydrophobicContact CG-CG 4.03Å; E33-K97 IonicContact OE1-NZ 2.67Å; E33-K97 PolarHBondContact OE1-NZ 3.5Å; E33-I100 HydrophobicContact CB-CD1 3.42Å; E33-I100 VanDerWaalsContact CB-CD1 3.42Å; E33-I100 HydrophobicContact CB-CG1 3.9Å; E33-I100 HydrophobicContact CB-CG2 4.22Å; E33-I100 HydrophobicContact CG-CD1 4.19Å; E33-I100 HydrophobicContact CG-CG1 4.37Å
34E96.5Very high96.1Very high66 Ų6649.6 Ų49.631%0.30825%0.251SS..Hα-helixtrans-76.3-29.2175-69.3-62.7139.400111.9P31 Y32 L36 K37 K97P31-E34 HydrophobicContact CB-CG 4.42Å; P31-E34 HydrophobicContact CG-CG 4.39Å; P31-E34 PolarHBondContact O-N 3.28Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-E34 PolarHBondContact O-N 2.69Å; E34-L36 VanDerWaalsContact C-N 3.33Å; E34-K37 IonicContact OE1-NZ 2.88Å; E34-K37 PolarHBondContact OE1-NZ 3.47Å; E34-K37 VanDerWaalsContact OE2-CD 3.26Å; E34-K37 WeakPolarHBondContact OE2-CD 3.38Å; E34-K37 IonicContact OE2-NZ 3.29Å; E34-K37 PolarHBondContact OE2-NZ 3.18Å; E34-K37 VanDerWaalsContact OE2-NZ 3.16Å; E34-K97 WeakPolarHBondContact OE1-CE 3.34Å; E34-K97 IonicContact OE1-NZ 3.99Å; E34-K97 PolarHBondContact OE1-NZ 3.33Å
35I97.5Very high96.3Very high13 Ų1346.1 Ų46.17%0.06723%0.229CC..Hα-helixtrans-64.3-40.3173.4-64.9169.1000110.5L15 V26 D27 K30 P31 Y32 L41L15-I35 HydrophobicContact CD1-CD1 3.8Å; L15-I35 HydrophobicContact CD2-CD1 4.41Å; L15-I35 HydrophobicContact CD2-CG2 4.05Å; V26-I35 HydrophobicContact CB-CG2 4Å; V26-I35 HydrophobicContact CG1-CG2 4.29Å; V26-I35 HydrophobicContact CG2-CD1 4.41Å; V26-I35 HydrophobicContact CG2-CG2 4.27Å; D27-I35 WeakPolarHBondContact O-CD1 3.43Å; K30-I35 HydrophobicContact CB-CD1 4.47Å; K30-I35 HydrophobicContact CB-CG1 3.83Å; K30-I35 WeakPolarHBondContact O-CD1 3.43Å; P31-I35 PolarHBondContact O-N 3.14Å; P31-I35 VanDerWaalsContact O-N 3.1Å; Y32-I35 WeakPolarHBondContact O-CB 3.33Å; Y32-I35 PolarHBondContact O-N 3.01Å; I35-L41 HydrophobicContact CG2-CD1 3.54Å
36L98Very high96.6Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-89.5-15.2-176.7-58.4-178.3000113.8L15 I18 Y32 E34 D38 G39 L42 L94 V103 L107L15-L36 HydrophobicContact CD2-CD2 4.33Å; I18-L36 HydrophobicContact CD1-CD2 3.69Å; Y32-L36 HydrophobicContact CD1-CD1 4.47Å; Y32-L36 HydrophobicContact CD2-CD1 4.36Å; Y32-L36 HydrophobicContact CE1-CD1 3.82Å; Y32-L36 HydrophobicContact CE2-CD1 3.68Å; Y32-L36 PolarHBondContact O-N 3.39Å; Y32-L36 WeakPolarHBondContact OH-CD1 3.4Å; E34-L36 VanDerWaalsContact C-N 3.33Å; L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.85Å; L36-G39 PolarHBondContact O-N 3.25Å; L36-L42 HydrophobicContact CD2-CD2 4.04Å; L36-L94 HydrophobicContact CB-CD1 4.08Å; L36-L94 HydrophobicContact CB-CD2 4.39Å; L36-V103 HydrophobicContact CD1-CG1 4.44Å; L36-L107 HydrophobicContact CD1-CD1 3.83Å
37K97Very high96.8Very high58 Ų5838.7 Ų38.725%0.25220%0.198SC..THydrogen-bonded Turntrans-54.3-41.2-164.9-167.7172.5-176.6175.50114.7E33 E34 G39 I67E33-K37 WeakPolarHBondContact O-CA 3.11Å; E33-K37 VanDerWaalsContact O-CB 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.3Å; E33-K37 PolarHBondContact O-N 3.18Å; E34-K37 IonicContact OE1-NZ 2.88Å; E34-K37 PolarHBondContact OE1-NZ 3.47Å; E34-K37 VanDerWaalsContact OE2-CD 3.26Å; E34-K37 WeakPolarHBondContact OE2-CD 3.38Å; E34-K37 IonicContact OE2-NZ 3.29Å; E34-K37 PolarHBondContact OE2-NZ 3.18Å; E34-K37 VanDerWaalsContact OE2-NZ 3.16Å; K37-G39 PolarHBondContact O-N 2.86Å; K37-I67 WeakPolarHBondContact O-CG2 3.35Å
38D96.4Very high96.9Very high54 Ų5441.4 Ų41.429%0.28921%0.206SC..THydrogen-bonded Turntrans-73.2-8.7-17665.816.7000113.5L36 V40 N70L36-D38 VanDerWaalsContact C-N 3.32Å; L36-D38 PolarHBondContact O-N 2.85Å; D38-V40 HydrophobicContact CB-CG2 4.27Å; D38-V40 PolarHBondContact O-N 2.88Å; D38-V40 VanDerWaalsContact O-N 3.16Å; D38-V40 WeakPolarHBondContact OD1-CB 3.42Å; D38-V40 PolarHBondContact OD1-N 3.28Å; D38-N70 WeakPolarHBondContact O-CB 3.46Å; D38-N70 PolarHBondContact O-ND2 3.23Å
39G97.9Very high97.1Very high0 Ų038.7 Ų38.70%020%0.197CC..SBendtrans69.7-1.6-17800000114.7L36 K37 L42 C43L36-G39 PolarHBondContact O-N 3.25Å; K37-G39 PolarHBondContact O-N 2.86Å; G39-L42 PolarHBondContact O-N 2.92Å; G39-C43 PolarHBondContact O-N 3.5Å; G39-C43 PolarHBondContact O-SG 3.43Å
40V98.1Very high97.2Very high7 Ų738.4 Ų38.44%0.04218%0.183CC..Hα-helixtrans-69.1-48.3-175.8174.40000110.3D38 L42 C43 K44 I57 N58 E59 N70D38-V40 HydrophobicContact CB-CG2 4.27Å; D38-V40 PolarHBondContact O-N 2.88Å; D38-V40 VanDerWaalsContact O-N 3.16Å; D38-V40 WeakPolarHBondContact OD1-CB 3.42Å; D38-V40 PolarHBondContact OD1-N 3.28Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.03Å; V40-C43 PolarHBondContact O-N 3.02Å; V40-K44 HydrophobicContact CG1-CD 4.06Å; V40-K44 WeakPolarHBondContact O-CG 3.37Å; V40-K44 PolarHBondContact O-N 3.11Å; V40-I57 HydrophobicContact CB-CG2 4.3Å; V40-I57 HydrophobicContact CG1-CG2 4.03Å; V40-I57 HydrophobicContact CG2-CG2 4.13Å; V40-N58 VanDerWaalsContact CG2-O 3.23Å; V40-N58 WeakPolarHBondContact CG2-O 3.42Å; V40-E59 WeakPolarHBondContact CG1-OE2 3.38Å; V40-N70 WeakPolarHBondContact CG2-ND2 3.29Å
41L97.8Very high97.2Very high30 Ų3038.4 Ų38.416%0.15720%0.195CC..Hα-helixtrans-59.4-41.9176.7-77.1176.8000111.5L22 V26 I35 K44 V45L22-L41 HydrophobicContact CD1-CD2 3.76Å; V26-L41 HydrophobicContact CG1-CD1 3.67Å; V26-L41 HydrophobicContact CG1-CD2 4.26Å; I35-L41 HydrophobicContact CG2-CD1 3.54Å; L41-K44 PolarHBondContact O-N 3.3Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.44Å; L41-V45 PolarHBondContact O-N 2.96Å
42L98.7Very high97.2Very high0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-60.8-47.8177.9-59.8-177.7000111.3L36 G39 V40 K44 V45 I46 F74 F89 L94 L107L36-L42 HydrophobicContact CD2-CD2 4.04Å; G39-L42 PolarHBondContact O-N 2.92Å; V40-L42 VanDerWaalsContact C-N 3.29Å; V40-L42 PolarHBondContact O-N 3.03Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.44Å; L42-V45 PolarHBondContact O-N 3.16Å; L42-I46 PolarHBondContact O-N 3.37Å; L42-I46 VanDerWaalsContact O-N 3.12Å; L42-F74 VanDerWaalsContact C-CD2 3.45Å; L42-F74 HydrophobicContact CB-CB 4.13Å; L42-F74 HydrophobicContact CB-CD1 4.02Å; L42-F74 HydrophobicContact CB-CD2 3.62Å; L42-F74 HydrophobicContact CB-CE1 4.34Å; L42-F74 HydrophobicContact CB-CE2 3.93Å; L42-F74 HydrophobicContact CB-CG 3.63Å; L42-F74 HydrophobicContact CB-CZ 4.28Å; L42-F74 HydrophobicContact CD1-CD1 4.05Å; L42-F74 HydrophobicContact CD1-CE1 4.25Å; L42-F74 HydrophobicContact CD1-CG 4.46Å; L42-F74 HydrophobicContact CD2-CZ 4.34Å; L42-F74 WeakPolarHBondContact O-CD2 3.33Å; L42-F74 WeakPolarHBondContact O-CE2 3.47Å; L42-F89 HydrophobicContact CD1-CZ 4.06Å; L42-L94 HydrophobicContact CD1-CD2 3.64Å; L42-L107 HydrophobicContact CD2-CD1 4.12Å; L42-L107 HydrophobicContact CD2-CD2 3.93Å
43C98.7Very high97.3Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-61.3-40.5176-67.60000112.4G39 V40 I46 N47 V54 I57 N70G39-C43 PolarHBondContact O-N 3.5Å; G39-C43 PolarHBondContact O-SG 3.43Å; V40-C43 PolarHBondContact O-N 3.02Å; C43-I46 VanDerWaalsContact O-CG2 3.29Å; C43-I46 WeakPolarHBondContact O-CG2 3.25Å; C43-N47 WeakPolarHBondContact O-CB 3.46Å; C43-N47 PolarHBondContact O-N 3.1Å; C43-V54 HydrophobicContact CB-CB 4.41Å; C43-V54 HydrophobicContact CB-CG1 4.2Å; C43-V54 HydrophobicContact CB-CG2 4.34Å; C43-I57 HydrophobicContact CB-CB 4.49Å; C43-I57 HydrophobicContact CB-CD1 3.5Å; C43-I57 HydrophobicContact CB-CG1 3.68Å; C43-I57 HydrophobicContact CB-CG2 4.05Å; C43-N70 PolarHBondContact SG-O 3.38Å
44K98.5Very high97.4Very high76 Ų7638.5 Ų38.533%0.3321%0.209SC..Hα-helixtrans-64.2-41.5176.5-74.5176.5179.6170.50111.6L22 V40 L41 L42 N47 K48 I57 E59L22-K44 HydrophobicContact CD1-CB 4.23Å; L22-K44 HydrophobicContact CD2-CB 3.9Å; V40-K44 HydrophobicContact CG1-CD 4.06Å; V40-K44 WeakPolarHBondContact O-CG 3.37Å; V40-K44 PolarHBondContact O-N 3.11Å; L41-K44 PolarHBondContact O-N 3.3Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 3.44Å; K44-N47 PolarHBondContact O-N 3.19Å; K44-K48 WeakPolarHBondContact O-CB 3.47Å; K44-K48 PolarHBondContact O-N 2.96Å; K44-I57 HydrophobicContact CG-CD1 4.21Å; K44-E59 WeakPolarHBondContact CE-OE1 3.5Å; K44-E59 WeakPolarHBondContact CE-OE2 3.45Å; K44-E59 IonicContact NZ-OE1 3.53Å; K44-E59 IonicContact NZ-OE2 3.34Å; K44-E59 PolarHBondContact NZ-OE2 3.13Å
45V98.5Very high97.3Very high1 Ų145.4 Ų45.41%0.00624%0.238CC..Hα-helixtrans-59.5-52.8177.3167.90000110.1W17 I18 V21 L22 L41 L42 N47 K48 L49 L110W17-V45 HydrophobicContact CH2-CG1 3.93Å; W17-V45 HydrophobicContact CZ3-CG1 3.94Å; I18-V45 HydrophobicContact CB-CG2 4.3Å; I18-V45 HydrophobicContact CG1-CG2 4Å; I18-V45 HydrophobicContact CG2-CG2 3.82Å; V21-V45 HydrophobicContact CG1-CG1 4.36Å; L22-V45 HydrophobicContact CD1-CG2 4.05Å; L22-V45 HydrophobicContact CD2-CG2 4.15Å; L22-V45 HydrophobicContact CG-CG2 4Å; L41-V45 VanDerWaalsContact O-CG2 3.27Å; L41-V45 WeakPolarHBondContact O-CG2 3.44Å; L41-V45 PolarHBondContact O-N 2.96Å; L42-V45 PolarHBondContact O-N 3.16Å; V45-N47 VanDerWaalsContact C-N 3.32Å; V45-N47 PolarHBondContact O-N 3.44Å; V45-K48 WeakPolarHBondContact O-CB 3.42Å; V45-K48 PolarHBondContact O-N 2.82Å; V45-L49 HydrophobicContact CG1-CD1 4.12Å; V45-L49 HydrophobicContact CG1-CG 4.5Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 3.27Å; V45-L110 HydrophobicContact CG1-CD2 4.23Å
46I98.3Very high97.2Very high0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-66.8-33.8-178.6-168.853.4000112.4L42 C43 K48 L49 K50 V54 F74 A77 I78 Y81 L110L42-I46 PolarHBondContact O-N 3.37Å; L42-I46 VanDerWaalsContact O-N 3.12Å; C43-I46 VanDerWaalsContact O-CG2 3.29Å; C43-I46 WeakPolarHBondContact O-CG2 3.25Å; I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 2.93Å; I46-L49 HydrophobicContact CD1-CB 4.4Å; I46-L49 HydrophobicContact CD1-CD1 4.47Å; I46-L49 PolarHBondContact O-N 3.48Å; I46-K50 CarbonylContact O-C 3.59Å; I46-K50 PolarHBondContact O-N 2.83Å; I46-V54 HydrophobicContact CG2-CG2 3.78Å; I46-F74 HydrophobicContact CB-CD2 4.12Å; I46-F74 HydrophobicContact CB-CE2 4.24Å; I46-F74 HydrophobicContact CG2-CD2 3.88Å; I46-F74 HydrophobicContact CG2-CE2 4.48Å; I46-A77 HydrophobicContact CB-CB 4.46Å; I46-A77 HydrophobicContact CG1-CB 3.73Å; I46-A77 HydrophobicContact CG2-CB 3.93Å; I46-I78 HydrophobicContact CB-CG2 4.37Å; I46-I78 HydrophobicContact CD1-CG2 4.01Å; I46-I78 HydrophobicContact CG1-CG2 4.05Å; I46-Y81 HydrophobicContact CD1-CD1 4.28Å; I46-Y81 HydrophobicContact CD1-CD2 4.34Å; I46-Y81 HydrophobicContact CD1-CG 3.96Å; I46-L110 HydrophobicContact CD1-CD1 4.27Å
47N98.2Very high97.2Very high39 Ų3954.5 Ų54.521%0.20927%0.274CS..Hα-helixtrans-67.7-27.8172.3-85.2-8.8000113.4C43 K44 V45 K50 P51 S53 V54C43-N47 WeakPolarHBondContact O-CB 3.46Å; C43-N47 PolarHBondContact O-N 3.1Å; K44-N47 PolarHBondContact O-N 3.19Å; V45-N47 VanDerWaalsContact C-N 3.32Å; V45-N47 PolarHBondContact O-N 3.44Å; N47-K50 CarbonylContact O-C 3.6Å; N47-P51 VanDerWaalsContact O-CA 3.24Å; N47-P51 WeakPolarHBondContact O-CA 3.21Å; N47-S53 PolarHBondContact OD1-N 3.41Å; N47-S53 VanDerWaalsContact OD1-N 3.16Å; N47-V54 PolarHBondContact ND2-O 3.02Å; N47-V54 PolarHBondContact OD1-N 3.23Å; N47-V54 PolarHBondContact OD1-O 3.43Å
48K96.5Very high97.3Very high133 Ų13352.4 Ų52.458%0.57827%0.265SS*.Hα-helixtrans-74.3-38.8173.5-176.564.7173.1-171.90111.7V21 L22 K44 V45 I46V21-K48 HydrophobicContact CG1-CB 4.06Å; V21-K48 HydrophobicContact CG1-CG 3.76Å; V21-K48 WeakPolarHBondContact O-CE 3.39Å; V21-K48 WeakPolarHBondContact O-CG 3.3Å; L22-K48 HydrophobicContact CD2-CB 4.1Å; K44-K48 WeakPolarHBondContact O-CB 3.47Å; K44-K48 PolarHBondContact O-N 2.96Å; V45-K48 WeakPolarHBondContact O-CB 3.42Å; V45-K48 PolarHBondContact O-N 2.82Å; I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 2.93Å
49L95.8Very high97.2Very high23 Ų2354.1 Ų54.112%0.1227%0.272CS..Hα-helixtrans-71.6-42.4176.9-63.4177.5000112W17 V21 V45 I46 L110 C114 Y120W17-L49 HydrophobicContact CH2-CD1 4.09Å; W17-L49 HydrophobicContact CZ2-CD1 4.33Å; V21-L49 HydrophobicContact CG1-CD2 4.1Å; V21-L49 HydrophobicContact CG1-CG 4.43Å; V45-L49 HydrophobicContact CG1-CD1 4.12Å; V45-L49 HydrophobicContact CG1-CG 4.5Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 3.27Å; I46-L49 HydrophobicContact CD1-CB 4.4Å; I46-L49 HydrophobicContact CD1-CD1 4.47Å; I46-L49 PolarHBondContact O-N 3.48Å; L49-L110 HydrophobicContact CD1-CD1 4.05Å; L49-L110 HydrophobicContact CD1-CD2 4.11Å; L49-L110 HydrophobicContact CD1-CG 4.07Å; L49-C114 HydrophobicContact CD2-CB 4.44Å; L49-Y120 HydrophobicContact CD2-CD2 4.24Å; L49-Y120 HydrophobicContact CD2-CE2 3.38Å
50K95.5Very high96.9Very high95 Ų9561 Ų6141%0.41331%0.308SS..SBendtrans-138.499.2177.6-179.6173.9175.8177.20109.4I46 N47 G52 S53 Y81I46-K50 CarbonylContact O-C 3.59Å; I46-K50 PolarHBondContact O-N 2.83Å; N47-K50 CarbonylContact O-C 3.6Å; K50-G52 PolarHBondContact O-N 2.92Å; K50-S53 VanDerWaalsContact CB-OG 3.3Å; K50-S53 WeakPolarHBondContact CB-OG 3.24Å; K50-S53 WeakPolarHBondContact CG-OG 3.17Å; K50-S53 WeakPolarHBondContact O-CB 3.29Å; K50-S53 PolarHBondContact O-N 3.31Å; K50-S53 PolarHBondContact O-OG 3.37Å; K50-Y81 HydrophobicContact CB-CD2 3.92Å; K50-Y81 HydrophobicContact CB-CE2 3.97Å; K50-Y81 HydrophobicContact CD-CD2 3.76Å; K50-Y81 HydrophobicContact CD-CE2 4.33Å; K50-Y81 HydrophobicContact CG-CD2 4.49Å
51P96.1Very high96.5Very high113 Ų11361 Ų6173%0.73431%0.31SS*.THydrogen-bonded Turntrans-52.4134.1179.8-29.436.5000112.9N47N47-P51 VanDerWaalsContact O-CA 3.24Å; N47-P51 WeakPolarHBondContact O-CA 3.21Å
52G95.5Very high96.3Very high57 Ų5765.2 Ų65.259%0.58834%0.336SS*.THydrogen-bonded Turntrans81.67.7177.800000115.8K50K50-G52 PolarHBondContact O-N 2.92Å
53S97.7Very high96.1Very high35 Ų3569.8 Ų69.825%0.24536%0.359CS..SBendtrans-63.3-43.7178.1-620000113N47 K50N47-S53 PolarHBondContact OD1-N 3.41Å; N47-S53 VanDerWaalsContact OD1-N 3.16Å; K50-S53 VanDerWaalsContact CB-OG 3.3Å; K50-S53 WeakPolarHBondContact CB-OG 3.24Å; K50-S53 WeakPolarHBondContact CG-OG 3.17Å; K50-S53 WeakPolarHBondContact O-CB 3.29Å; K50-S53 PolarHBondContact O-N 3.31Å; K50-S53 PolarHBondContact O-OG 3.37Å
54V98.2Very high96Very high9 Ų973 Ų736%0.05538%0.379CS..SBendtrans-111.6111.4173.2177.90000108.7C43 I46 N47 R56 I57 A73 A77C43-V54 HydrophobicContact CB-CB 4.41Å; C43-V54 HydrophobicContact CB-CG1 4.2Å; C43-V54 HydrophobicContact CB-CG2 4.34Å; I46-V54 HydrophobicContact CG2-CG2 3.78Å; N47-V54 PolarHBondContact ND2-O 3.02Å; N47-V54 PolarHBondContact OD1-N 3.23Å; N47-V54 PolarHBondContact OD1-O 3.43Å; V54-R56 WeakPolarHBondContact CG1-O 3.35Å; V54-I57 HydrophobicContact CG1-CG1 3.77Å; V54-A73 HydrophobicContact CG1-CB 3.85Å; V54-A73 HydrophobicContact CG2-CB 4.17Å; V54-A77 HydrophobicContact CG2-CB 3.81Å
55K95.3Very high95.9Very high210 Ų21075.3 Ų75.391%0.91339%0.39SS*.SBendtrans-72.6-35.8-175.2-63.5-178.9-177.8177.80113.6
56R95.7Very high95.9Very high172 Ų17278.5 Ų78.565%0.64940%0.404SS*.  trans-134.4125.8-176.4179.8179.4171.1169.3-3109.4V54V54-R56 WeakPolarHBondContact CG1-O 3.35Å
57I97.7Very high95.9Very high33 Ų3379.3 Ų79.317%0.16941%0.408CS..  trans-116.4129175.9-53.7176.3000107.8V40 C43 K44 V54 E59V40-I57 HydrophobicContact CB-CG2 4.3Å; V40-I57 HydrophobicContact CG1-CG2 4.03Å; V40-I57 HydrophobicContact CG2-CG2 4.13Å; C43-I57 HydrophobicContact CB-CB 4.49Å; C43-I57 HydrophobicContact CB-CD1 3.5Å; C43-I57 HydrophobicContact CB-CG1 3.68Å; C43-I57 HydrophobicContact CB-CG2 4.05Å; K44-I57 HydrophobicContact CG-CD1 4.21Å; V54-I57 HydrophobicContact CG1-CG1 3.77Å; I57-E59 PolarHBondContact O-N 2.86Å; I57-E59 VanDerWaalsContact O-N 3.11Å
58N97.5Very high95.9Very high13 Ų1380.3 Ų80.37%0.0741%0.412CS..  trans-80.485171.7-65.2-64.7000109.3V40 N60 A61 K66 E69 N70V40-N58 VanDerWaalsContact CG2-O 3.23Å; V40-N58 WeakPolarHBondContact CG2-O 3.42Å; N58-N60 PolarHBondContact O-N 2.82Å; N58-N60 VanDerWaalsContact O-N 3.16Å; N58-A61 HydrophobicContact CB-CB 3.98Å; N58-A61 VanDerWaalsContact O-CB 3.3Å; N58-A61 WeakPolarHBondContact O-CB 3.44Å; N58-A61 PolarHBondContact O-N 2.69Å; N58-K66 HydrophobicContact CB-CB 3.91Å; N58-K66 HydrophobicContact CB-CD 4.28Å; N58-K66 HydrophobicContact CB-CG 4.36Å; N58-K66 PolarHBondContact ND2-O 3.42Å; N58-E69 PolarHBondContact ND2-OE2 2.75Å; N58-N70 WeakPolarHBondContact CB-OD1 3.47Å; N58-N70 PolarHBondContact N-OD1 3.01Å; N58-N70 PolarHBondContact ND2-OD1 3.34Å; N58-N70 PolarHBondContact O-ND2 3.38Å; N58-N70 VanDerWaalsContact O-ND2 3.09Å
59E94.4Very high96Very high91 Ų9178 Ų7843%0.42540%0.403SS..THydrogen-bonded Turntrans-57.5-27.9-173.8-68.8-72.616300114.9V40 K44 I57V40-E59 WeakPolarHBondContact CG1-OE2 3.38Å; K44-E59 WeakPolarHBondContact CE-OE1 3.5Å; K44-E59 WeakPolarHBondContact CE-OE2 3.45Å; K44-E59 IonicContact NZ-OE1 3.53Å; K44-E59 IonicContact NZ-OE2 3.34Å; K44-E59 PolarHBondContact NZ-OE2 3.13Å; I57-E59 PolarHBondContact O-N 2.86Å; I57-E59 VanDerWaalsContact O-N 3.11Å
60N92.3Very high96.1Very high143 Ų14377 Ų7777%0.76540%0.398SS*.THydrogen-bonded Turntrans-118.949.1178.1-62.3-58.4000110.5N58 T62N58-N60 PolarHBondContact O-N 2.82Å; N58-N60 VanDerWaalsContact O-N 3.16Å; N60-T62 PolarHBondContact O-N 3.48Å
61A90.5Very high96.3Very high9 Ų972.4 Ų72.47%0.07438%0.378CS..  trans-70.388.7-177.600000111.6N58 K66 I67N58-A61 HydrophobicContact CB-CB 3.98Å; N58-A61 VanDerWaalsContact O-CB 3.3Å; N58-A61 WeakPolarHBondContact O-CB 3.44Å; N58-A61 PolarHBondContact O-N 2.69Å; A61-K66 HydrophobicContact CB-CB 3.75Å; A61-I67 HydrophobicContact CB-CG1 3.78Å; A61-I67 WeakPolarHBondContact O-CD1 3.38Å; A61-I67 VanDerWaalsContact O-CG1 3.25Å; A61-I67 WeakPolarHBondContact O-CG1 3.46Å
62T92.2Very high96.4Very high117 Ų11770.2 Ų70.272%0.71836%0.36SS*.  trans-93.6-27.2170.6540000112.8N60N60-T62 PolarHBondContact O-N 3.48Å
63M95.6Very high96.5Very high96 Ų9669 Ų6947%0.47334%0.344SS..SBendtrans-84.2137.2-178.9-59-60.4-74.500110.7F65 K66 I67M63-F65 VanDerWaalsContact C-N 3.3Å; M63-F65 HydrophobicContact CB-CD1 3.74Å; M63-F65 HydrophobicContact CB-CE1 3.43Å; M63-F65 VanDerWaalsContact CB-CE1 3.43Å; M63-F65 HydrophobicContact CB-CZ 4.15Å; M63-F65 HydrophobicContact CE-CE1 4.45Å; M63-F65 HydrophobicContact CG-CE1 3.96Å; M63-F65 PolarHBondContact O-N 3.17Å; M63-F65 VanDerWaalsContact O-N 3.15Å; M63-K66 HydrophobicContact CB-CG 4.47Å; M63-K66 PolarHBondContact O-N 2.98Å; M63-I67 PolarHBondContact O-N 3.5Å
64P97.3Very high96.6Very high67 Ų6767.3 Ų67.344%0.43533%0.333SS..Hα-helixtrans-47.4-46.3-178.6-34.237.9000114.9K66 I67 M68 F95P64-K66 VanDerWaalsContact C-N 3.31Å; P64-K66 PolarHBondContact O-N 2.73Å; P64-I67 PolarHBondContact O-N 3Å; P64-M68 WeakPolarHBondContact O-CG 3.38Å; P64-M68 PolarHBondContact O-N 2.77Å; P64-F95 HydrophobicContact CB-CE1 4.45Å; P64-F95 HydrophobicContact CB-CE2 4.19Å; P64-F95 HydrophobicContact CB-CZ 3.61Å; P64-F95 HydrophobicContact CG-CZ 4.07Å
65F96.2Very high96.6Very high125 Ų12567.5 Ų67.555%0.54833%0.333SS..Hα-helixtrans-64-33.9-177.970.9-91.9000113.2M63 E69M63-F65 VanDerWaalsContact C-N 3.3Å; M63-F65 HydrophobicContact CB-CD1 3.74Å; M63-F65 HydrophobicContact CB-CE1 3.43Å; M63-F65 VanDerWaalsContact CB-CE1 3.43Å; M63-F65 HydrophobicContact CB-CZ 4.15Å; M63-F65 HydrophobicContact CE-CE1 4.45Å; M63-F65 HydrophobicContact CG-CE1 3.96Å; M63-F65 PolarHBondContact O-N 3.17Å; M63-F65 VanDerWaalsContact O-N 3.15Å; F65-E69 VanDerWaalsContact O-CB 3.29Å; F65-E69 WeakPolarHBondContact O-CB 3.33Å; F65-E69 PolarHBondContact O-N 3.27Å
66K98Very high96.8Very high69 Ų6962.7 Ų62.730%0.331%0.314SS..Hα-helixtrans-71.5-38.3177.2-68-173.1176.9177.70111.6N58 A61 M63 P64 E69 N70N58-K66 HydrophobicContact CB-CB 3.91Å; N58-K66 HydrophobicContact CB-CD 4.28Å; N58-K66 HydrophobicContact CB-CG 4.36Å; N58-K66 PolarHBondContact ND2-O 3.42Å; A61-K66 HydrophobicContact CB-CB 3.75Å; M63-K66 HydrophobicContact CB-CG 4.47Å; M63-K66 PolarHBondContact O-N 2.98Å; P64-K66 VanDerWaalsContact C-N 3.31Å; P64-K66 PolarHBondContact O-N 2.73Å; K66-E69 PolarHBondContact O-N 3.16Å; K66-N70 PolarHBondContact O-N 3.44Å
67I98.2Very high96.9Very high16 Ų1654.9 Ų54.98%0.08229%0.286CS..Hα-helixtrans-64.3-49.9176.3-63.9172.1000109.3K37 A61 M63 P64 E69 N70 I71 F95K37-I67 WeakPolarHBondContact O-CG2 3.35Å; A61-I67 HydrophobicContact CB-CG1 3.78Å; A61-I67 WeakPolarHBondContact O-CD1 3.38Å; A61-I67 VanDerWaalsContact O-CG1 3.25Å; A61-I67 WeakPolarHBondContact O-CG1 3.46Å; M63-I67 PolarHBondContact O-N 3.5Å; P64-I67 PolarHBondContact O-N 3Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.4Å; I67-N70 PolarHBondContact O-N 2.92Å; I67-I71 HydrophobicContact CG2-CD1 3.84Å; I67-I71 HydrophobicContact CG2-CG1 4.5Å; I67-I71 WeakPolarHBondContact O-CG1 3.43Å; I67-I71 PolarHBondContact O-N 3.44Å; I67-F95 HydrophobicContact CB-CD2 4.21Å; I67-F95 HydrophobicContact CB-CE2 4.2Å; I67-F95 HydrophobicContact CD1-CE2 4.09Å; I67-F95 HydrophobicContact CG2-CD2 3.63Å; I67-F95 HydrophobicContact CG2-CE2 4.09Å
68M98Very high97Very high61 Ų6153.3 Ų53.330%0.328%0.278SS..Hα-helixtrans-60.4-39.5176.3-68.2-178175.300112.1P64 I71 N72 T91 F95P64-M68 WeakPolarHBondContact O-CG 3.38Å; P64-M68 PolarHBondContact O-N 2.77Å; M68-I71 PolarHBondContact O-N 2.67Å; M68-N72 VanDerWaalsContact O-CB 3.29Å; M68-N72 WeakPolarHBondContact O-CB 3.47Å; M68-N72 PolarHBondContact O-N 3.42Å; M68-N72 PolarHBondContact O-ND2 2.9Å; M68-N72 PolarHBondContact O-OD1 3.13Å; M68-T91 HydrophobicContact CB-CG2 3.98Å; M68-T91 HydrophobicContact CG-CG2 3.78Å; M68-F95 HydrophobicContact CE-CD1 3.34Å; M68-F95 HydrophobicContact CE-CE1 3.39Å; M68-F95 HydrophobicContact CE-CG 4.1Å; M68-F95 HydrophobicContact CE-CZ 4.17Å; M68-F95 HydrophobicContact CG-CG 4.43Å
69E98.3Very high97Very high84 Ų8456 Ų5639%0.39329%0.289SS..Hα-helixtrans-61.1-45.1175.6-173.5-178.5-168.300111.8N58 F65 K66 I67 N72 A73N58-E69 PolarHBondContact ND2-OE2 2.75Å; F65-E69 VanDerWaalsContact O-CB 3.29Å; F65-E69 WeakPolarHBondContact O-CB 3.33Å; F65-E69 PolarHBondContact O-N 3.27Å; K66-E69 PolarHBondContact O-N 3.16Å; I67-E69 VanDerWaalsContact C-N 3.31Å; I67-E69 PolarHBondContact O-N 3.4Å; E69-N72 PolarHBondContact O-N 3.14Å; E69-A73 VanDerWaalsContact O-CB 3.28Å; E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.08Å
70N98.7Very high97.2Very high1 Ų155.2 Ų55.21%0.00530%0.298CS..Hα-helixtrans-61.2-47.7174.9-71.9-12.8000111.5D38 V40 C43 N58 K66 I67 N72 A73 F74D38-N70 WeakPolarHBondContact O-CB 3.46Å; D38-N70 PolarHBondContact O-ND2 3.23Å; V40-N70 WeakPolarHBondContact CG2-ND2 3.29Å; C43-N70 PolarHBondContact SG-O 3.38Å; N58-N70 WeakPolarHBondContact CB-OD1 3.47Å; N58-N70 PolarHBondContact N-OD1 3.01Å; N58-N70 PolarHBondContact ND2-OD1 3.34Å; N58-N70 PolarHBondContact O-ND2 3.38Å; N58-N70 VanDerWaalsContact O-ND2 3.09Å; K66-N70 PolarHBondContact O-N 3.44Å; I67-N70 PolarHBondContact O-N 2.92Å; N70-N72 PolarHBondContact O-N 3.47Å; N70-A73 PolarHBondContact O-N 3.35Å; N70-F74 PolarHBondContact O-N 3.41Å
71I98.7Very high97.4Very high0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-61.2-46-179.9-67.3169.7000110.6I67 M68 A73 F74 Q75 F89 T91 L94 F95I67-I71 HydrophobicContact CG2-CD1 3.84Å; I67-I71 HydrophobicContact CG2-CG1 4.5Å; I67-I71 WeakPolarHBondContact O-CG1 3.43Å; I67-I71 PolarHBondContact O-N 3.44Å; M68-I71 PolarHBondContact O-N 2.67Å; I71-A73 PolarHBondContact O-N 3.4Å; I71-F74 WeakPolarHBondContact O-CB 3.4Å; I71-F74 PolarHBondContact O-N 3.12Å; I71-Q75 HydrophobicContact CG2-CG 4.38Å; I71-Q75 VanDerWaalsContact O-CG 3.3Å; I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.06Å; I71-F89 HydrophobicContact CG2-CE2 3.63Å; I71-F89 HydrophobicContact CG2-CZ 3.98Å; I71-T91 HydrophobicContact CB-CG2 4.19Å; I71-T91 HydrophobicContact CD1-CG2 4.36Å; I71-T91 HydrophobicContact CG2-CG2 3.95Å; I71-L94 HydrophobicContact CD1-CB 4.33Å; I71-L94 HydrophobicContact CD1-CD2 3.99Å; I71-L94 HydrophobicContact CD1-CG 4.18Å; I71-L94 HydrophobicContact CG1-CD2 4.14Å; I71-F95 HydrophobicContact CD1-CB 4.22Å
72N98.5Very high97.8Very high66 Ų6650.6 Ų50.635%0.35328%0.283SS..Hα-helixtrans-64.4-41.8179.1-67.5-8.7000111.2M68 E69 N70 F74 Q75 E76 T91M68-N72 VanDerWaalsContact O-CB 3.29Å; M68-N72 WeakPolarHBondContact O-CB 3.47Å; M68-N72 PolarHBondContact O-N 3.42Å; M68-N72 PolarHBondContact O-ND2 2.9Å; M68-N72 PolarHBondContact O-OD1 3.13Å; E69-N72 PolarHBondContact O-N 3.14Å; N70-N72 PolarHBondContact O-N 3.47Å; N72-F74 VanDerWaalsContact C-N 3.33Å; N72-F74 PolarHBondContact O-N 2.98Å; N72-Q75 PolarHBondContact O-N 3.41Å; N72-Q75 PolarHBondContact OD1-OE1 3.43Å; N72-E76 WeakPolarHBondContact O-CG 3.28Å; N72-E76 PolarHBondContact O-N 3.13Å; N72-T91 PolarHBondContact OD1-OG1 2.79Å
73A98.7Very high98Very high31 Ų3145.2 Ų45.226%0.25625%0.249SC..Hα-helixtrans-60.2-42.3174.700000112.1V54 E69 N70 I71 A77V54-A73 HydrophobicContact CG1-CB 3.85Å; V54-A73 HydrophobicContact CG2-CB 4.17Å; E69-A73 VanDerWaalsContact O-CB 3.28Å; E69-A73 WeakPolarHBondContact O-CB 3.37Å; E69-A73 PolarHBondContact O-N 3.08Å; N70-A73 PolarHBondContact O-N 3.35Å; I71-A73 PolarHBondContact O-N 3.4Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.25Å
74F98.8Very high98.1Very high0 Ų043.9 Ų43.90%025%0.248CC..Hα-helixtrans-62.1-47.9173.5169.7-101.8000111.9L42 I46 N70 I71 N72 E76 A77 I78 F89 L107 L110L42-F74 VanDerWaalsContact C-CD2 3.45Å; L42-F74 HydrophobicContact CB-CB 4.13Å; L42-F74 HydrophobicContact CB-CD1 4.02Å; L42-F74 HydrophobicContact CB-CD2 3.62Å; L42-F74 HydrophobicContact CB-CE1 4.34Å; L42-F74 HydrophobicContact CB-CE2 3.93Å; L42-F74 HydrophobicContact CB-CG 3.63Å; L42-F74 HydrophobicContact CB-CZ 4.28Å; L42-F74 HydrophobicContact CD1-CD1 4.05Å; L42-F74 HydrophobicContact CD1-CE1 4.25Å; L42-F74 HydrophobicContact CD1-CG 4.46Å; L42-F74 HydrophobicContact CD2-CZ 4.34Å; L42-F74 WeakPolarHBondContact O-CD2 3.33Å; L42-F74 WeakPolarHBondContact O-CE2 3.47Å; I46-F74 HydrophobicContact CB-CD2 4.12Å; I46-F74 HydrophobicContact CB-CE2 4.24Å; I46-F74 HydrophobicContact CG2-CD2 3.88Å; I46-F74 HydrophobicContact CG2-CE2 4.48Å; N70-F74 PolarHBondContact O-N 3.41Å; I71-F74 WeakPolarHBondContact O-CB 3.4Å; I71-F74 PolarHBondContact O-N 3.12Å; N72-F74 VanDerWaalsContact C-N 3.33Å; N72-F74 PolarHBondContact O-N 2.98Å; F74-E76 PolarHBondContact O-N 2.92Å; F74-A77 WeakPolarHBondContact O-CB 3.43Å; F74-A77 PolarHBondContact O-N 3.03Å; F74-I78 HydrophobicContact CD1-CD1 4.34Å; F74-I78 HydrophobicContact CD2-CG2 3.88Å; F74-I78 HydrophobicContact CE1-CD1 3.69Å; F74-I78 HydrophobicContact CE1-CG1 4.44Å; F74-I78 HydrophobicContact CE1-CG2 4.14Å; F74-I78 HydrophobicContact CE2-CG2 3.4Å; F74-I78 VanDerWaalsContact CE2-CG2 3.4Å; F74-I78 HydrophobicContact CG-CG2 4.48Å; F74-I78 HydrophobicContact CZ-CD1 3.98Å; F74-I78 HydrophobicContact CZ-CG2 3.55Å; F74-I78 WeakPolarHBondContact O-CG1 3.47Å; F74-I78 PolarHBondContact O-N 3.22Å; F74-F89 HydrophobicContact CD1-CE1 4.14Å; F74-F89 HydrophobicContact CD1-CZ 4.25Å; F74-F89 AromaticContact CE1-CE1 3.8Å; F74-F89 HydrophobicContact CE1-CE1 3.8Å; F74-F89 HydrophobicContact CE1-CZ 4.34Å; F74-L107 HydrophobicContact CZ-CD2 3.97Å; F74-L110 HydrophobicContact CE2-CD2 4.04Å; F74-L110 HydrophobicContact CZ-CD2 4.05Å
75Q98.8Very high98.1Very high13 Ų1345.5 Ų45.56%0.06126%0.257CS..Hα-helixtrans-57.1-47179.3-73.7166.6-14.800111.8I71 N72 I78 K79 V88 F89I71-Q75 HydrophobicContact CG2-CG 4.38Å; I71-Q75 VanDerWaalsContact O-CG 3.3Å; I71-Q75 WeakPolarHBondContact O-CG 3.29Å; I71-Q75 PolarHBondContact O-N 3.06Å; N72-Q75 PolarHBondContact O-N 3.41Å; N72-Q75 PolarHBondContact OD1-OE1 3.43Å; Q75-I78 VanDerWaalsContact O-CG1 3.25Å; Q75-I78 WeakPolarHBondContact O-CG1 3.39Å; Q75-I78 PolarHBondContact O-N 2.9Å; Q75-K79 VanDerWaalsContact O-CG 3.27Å; Q75-K79 WeakPolarHBondContact O-CG 3.39Å; Q75-K79 PolarHBondContact O-N 2.89Å; Q75-K79 VanDerWaalsContact O-N 3.13Å; Q75-V88 HydrophobicContact CB-CG1 3.92Å; Q75-V88 HydrophobicContact CG-CG1 3.76Å; Q75-F89 PolarHBondContact NE2-O 3.43Å
76E98.6Very high98.2Very high110 Ų11043.7 Ų43.751%0.51427%0.265SS..Hα-helixtrans-66-39.6177.3-66.8-52.9116.100111.9N72 F74 K79 A80N72-E76 WeakPolarHBondContact O-CG 3.28Å; N72-E76 PolarHBondContact O-N 3.13Å; F74-E76 PolarHBondContact O-N 2.92Å; E76-K79 PolarHBondContact O-N 3.48Å; E76-K79 IonicContact OE1-NZ 2.73Å; E76-K79 PolarHBondContact OE1-NZ 2.95Å; E76-A80 WeakPolarHBondContact O-CB 3.27Å; E76-A80 PolarHBondContact O-N 3.35Å
77A98.7Very high98.1Very high7 Ų742.8 Ų42.86%0.05826%0.263CS..Hα-helixtrans-62.6-43177.600000112.7I46 V54 A73 F74 A80 Y81I46-A77 HydrophobicContact CB-CB 4.46Å; I46-A77 HydrophobicContact CG1-CB 3.73Å; I46-A77 HydrophobicContact CG2-CB 3.93Å; V54-A77 HydrophobicContact CG2-CB 3.81Å; A73-A77 WeakPolarHBondContact O-CB 3.4Å; A73-A77 PolarHBondContact O-N 3.25Å; F74-A77 WeakPolarHBondContact O-CB 3.43Å; F74-A77 PolarHBondContact O-N 3.03Å; A77-A80 PolarHBondContact O-N 3.3Å; A77-Y81 WeakPolarHBondContact O-CB 3.25Å; A77-Y81 PolarHBondContact O-N 3.4Å
78I98.6Very high98.2Very high0 Ų042.8 Ų42.80%026%0.264CS..Hα-helixtrans-73.7-33.2179.564.7170.8000112.7I46 F74 Q75 A80 Y81 G82 V83 V88 C106 L110I46-I78 HydrophobicContact CB-CG2 4.37Å; I46-I78 HydrophobicContact CD1-CG2 4.01Å; I46-I78 HydrophobicContact CG1-CG2 4.05Å; F74-I78 HydrophobicContact CD1-CD1 4.34Å; F74-I78 HydrophobicContact CD2-CG2 3.88Å; F74-I78 HydrophobicContact CE1-CD1 3.69Å; F74-I78 HydrophobicContact CE1-CG1 4.44Å; F74-I78 HydrophobicContact CE1-CG2 4.14Å; F74-I78 HydrophobicContact CE2-CG2 3.4Å; F74-I78 VanDerWaalsContact CE2-CG2 3.4Å; F74-I78 HydrophobicContact CG-CG2 4.48Å; F74-I78 HydrophobicContact CZ-CD1 3.98Å; F74-I78 HydrophobicContact CZ-CG2 3.55Å; F74-I78 WeakPolarHBondContact O-CG1 3.47Å; F74-I78 PolarHBondContact O-N 3.22Å; Q75-I78 VanDerWaalsContact O-CG1 3.25Å; Q75-I78 WeakPolarHBondContact O-CG1 3.39Å; Q75-I78 PolarHBondContact O-N 2.9Å; I78-A80 VanDerWaalsContact C-N 3.34Å; I78-Y81 WeakPolarHBondContact O-CB 3.3Å; I78-Y81 PolarHBondContact O-N 3.03Å; I78-Y81 VanDerWaalsContact O-N 3.16Å; I78-G82 PolarHBondContact O-N 3.35Å; I78-G82 VanDerWaalsContact O-N 3.14Å; I78-V83 HydrophobicContact CB-CB 4.2Å; I78-V83 HydrophobicContact CB-CG2 3.91Å; I78-V83 HydrophobicContact CD1-CB 4.5Å; I78-V83 HydrophobicContact CD1-CG1 4.38Å; I78-V83 HydrophobicContact CG1-CB 4.4Å; I78-V83 WeakPolarHBondContact O-CB 3.37Å; I78-V83 PolarHBondContact O-N 3.31Å; I78-V88 HydrophobicContact CD1-CG1 4.25Å; I78-V88 HydrophobicContact CD1-CG2 3.94Å; I78-V88 HydrophobicContact CG1-CG2 4.22Å; I78-C106 WeakPolarHBondContact CD1-SG 3.37Å; I78-L110 HydrophobicContact CB-CD1 4.33Å; I78-L110 HydrophobicContact CG2-CD1 3.89Å; I78-L110 HydrophobicContact CG2-CD2 3.97Å; I78-L110 HydrophobicContact CG2-CG 4.47Å
79K98.6Very high98.2Very high69 Ų6940 Ų4030%0.325%0.251SS..Hα-helixtrans-60-47.8170.7-71.3172.4-163.81690110.2Q75 E76 Y81 G82 V88Q75-K79 VanDerWaalsContact O-CG 3.27Å; Q75-K79 WeakPolarHBondContact O-CG 3.39Å; Q75-K79 PolarHBondContact O-N 2.89Å; Q75-K79 VanDerWaalsContact O-N 3.13Å; E76-K79 PolarHBondContact O-N 3.48Å; E76-K79 IonicContact OE1-NZ 2.73Å; E76-K79 PolarHBondContact OE1-NZ 2.95Å; K79-Y81 PolarHBondContact O-N 3.25Å; K79-G82 PolarHBondContact O-N 2.86Å; K79-G82 VanDerWaalsContact O-N 3.11Å; K79-V88 HydrophobicContact CG-CG2 3.87Å
80A98Very high98.2Very high75 Ų7542 Ų4262%0.6226%0.259SS*.Hα-helixtrans-67.9-19.2176.800000113.6E76 A77 I78E76-A80 WeakPolarHBondContact O-CB 3.27Å; E76-A80 PolarHBondContact O-N 3.35Å; A77-A80 PolarHBondContact O-N 3.3Å; I78-A80 VanDerWaalsContact C-N 3.34Å
81Y97.6Very high98.2Very high9 Ų943.4 Ų43.44%0.03527%0.268CS..Hα-helixtrans-81.1-20173.4-170.8-112.2000112.9I46 K50 A77 I78 K79 L110 T113 C114 H117I46-Y81 HydrophobicContact CD1-CD1 4.28Å; I46-Y81 HydrophobicContact CD1-CD2 4.34Å; I46-Y81 HydrophobicContact CD1-CG 3.96Å; K50-Y81 HydrophobicContact CB-CD2 3.92Å; K50-Y81 HydrophobicContact CB-CE2 3.97Å; K50-Y81 HydrophobicContact CD-CD2 3.76Å; K50-Y81 HydrophobicContact CD-CE2 4.33Å; K50-Y81 HydrophobicContact CG-CD2 4.49Å; A77-Y81 WeakPolarHBondContact O-CB 3.25Å; A77-Y81 PolarHBondContact O-N 3.4Å; I78-Y81 WeakPolarHBondContact O-CB 3.3Å; I78-Y81 PolarHBondContact O-N 3.03Å; I78-Y81 VanDerWaalsContact O-N 3.16Å; K79-Y81 PolarHBondContact O-N 3.25Å; Y81-L110 HydrophobicContact CD1-CD1 3.74Å; Y81-L110 HydrophobicContact CE1-CD1 4.12Å; Y81-T113 HydrophobicContact CD1-CG2 3.94Å; Y81-T113 HydrophobicContact CE1-CG2 4.14Å; Y81-C114 HydrophobicContact CE1-CB 4.15Å; Y81-H117 AromaticContact CD1-NE2 3.95Å; Y81-H117 AromaticContact CD2-NE2 4Å; Y81-H117 AromaticContact CE1-CD2 3.65Å; Y81-H117 AromaticContact CE1-NE2 3.62Å; Y81-H117 AromaticContact CE2-CD2 3.91Å; Y81-H117 AromaticContact CE2-CE1 3.96Å; Y81-H117 AromaticContact CE2-NE2 3.66Å; Y81-H117 AromaticContact CZ-CD2 3.34Å; Y81-H117 AromaticContact CZ-NE2 3.46Å; Y81-H117 PolarHBondContact O-CE1 3.23Å; Y81-H117 PolarHBondContact O-NE2 3.45Å; Y81-H117 PolarHBondContact OH-CD2 3.36Å; Y81-H117 VanDerWaalsContact OH-CD2 3.28Å
82G97Very high98.1Very high47 Ų4745.3 Ų45.349%0.48528%0.28SS..THydrogen-bonded Turntrans119.54.417700000114.9I78 K79 P84I78-G82 PolarHBondContact O-N 3.35Å; I78-G82 VanDerWaalsContact O-N 3.14Å; K79-G82 PolarHBondContact O-N 2.86Å; K79-G82 VanDerWaalsContact O-N 3.11Å; G82-P84 WeakPolarHBondContact O-CD 3.5Å
83V98.1Very high98.1Very high3 Ų342.7 Ų42.72%0.01827%0.266CS..  trans-67.5126.6173.8179.50000108.9I78 T85 D87 V88 A109 L110 T113I78-V83 HydrophobicContact CB-CB 4.2Å; I78-V83 HydrophobicContact CB-CG2 3.91Å; I78-V83 HydrophobicContact CD1-CB 4.5Å; I78-V83 HydrophobicContact CD1-CG1 4.38Å; I78-V83 HydrophobicContact CG1-CB 4.4Å; I78-V83 WeakPolarHBondContact O-CB 3.37Å; I78-V83 PolarHBondContact O-N 3.31Å; V83-T85 PolarHBondContact O-N 2.96Å; V83-D87 HydrophobicContact CG1-CB 4.21Å; V83-V88 HydrophobicContact CG1-CG2 4.04Å; V83-A109 HydrophobicContact CG1-CB 3.96Å; V83-L110 HydrophobicContact CG2-CB 4.09Å; V83-L110 HydrophobicContact CG2-CD1 3.79Å; V83-T113 HydrophobicContact CG2-CG2 4.25Å
84P97.3Very high98Very high68 Ų6841.2 Ų41.244%0.44225%0.254SS..  trans-57.5136.2178.6-25.234.8000111.6G82 A86 D87G82-P84 WeakPolarHBondContact O-CD 3.5Å; P84-A86 PolarHBondContact O-N 3.33Å; P84-A86 VanDerWaalsContact O-N 3.1Å; P84-D87 PolarHBondContact O-N 3.48Å
85T97.7Very high98Very high101 Ų10143 Ų4362%0.6226%0.262SS*.G310 helixtrans-58-30-178.2-55.80000113V83 D87 V88V83-T85 PolarHBondContact O-N 2.96Å; T85-D87 PolarHBondContact O-N 2.97Å; T85-V88 PolarHBondContact O-N 3.29Å
86A97.2Very high97.9Very high87 Ų8748.4 Ų48.472%0.71929%0.287SS*.G310 helixtrans-64.8-26.5176.400000113.7P84 Q102P84-A86 PolarHBondContact O-N 3.33Å; P84-A86 VanDerWaalsContact O-N 3.1Å; A86-Q102 PolarHBondContact O-NE2 3.34Å
87D97.4Very high97.8Very high50 Ų5046.8 Ų46.827%0.26728%0.278SS..G310 helixtrans-87.3-11.5177.7-68.7-30.4000112.1V83 P84 T85 F89 C106 A109V83-D87 HydrophobicContact CG1-CB 4.21Å; P84-D87 PolarHBondContact O-N 3.48Å; T85-D87 PolarHBondContact O-N 2.97Å; D87-F89 PolarHBondContact O-N 3.43Å; D87-C106 VanDerWaalsContact O-CA 3.3Å; D87-C106 WeakPolarHBondContact O-CA 3.49Å; D87-C106 WeakPolarHBondContact O-CB 3.32Å; D87-A109 HydrophobicContact CB-CB 3.63Å
88V98.6Very high97.6Very high17 Ų1753 Ų5310%0.10330%0.304CS..PPolyproline II helixtrans-80.5119.7-176.9-178.60000110Q75 I78 K79 V83 T85Q75-V88 HydrophobicContact CB-CG1 3.92Å; Q75-V88 HydrophobicContact CG-CG1 3.76Å; I78-V88 HydrophobicContact CD1-CG1 4.25Å; I78-V88 HydrophobicContact CD1-CG2 3.94Å; I78-V88 HydrophobicContact CG1-CG2 4.22Å; K79-V88 HydrophobicContact CG-CG2 3.87Å; V83-V88 HydrophobicContact CG1-CG2 4.04Å; T85-V88 PolarHBondContact O-N 3.29Å
89F98.3Very high97.5Very high3 Ų355.3 Ų55.31%0.01332%0.316CS..PPolyproline II helixtrans-65.5157.2176.771.1-92.1000112L42 I71 F74 Q75 D87 D93 L94 Q102 V103 C106L42-F89 HydrophobicContact CD1-CZ 4.06Å; I71-F89 HydrophobicContact CG2-CE2 3.63Å; I71-F89 HydrophobicContact CG2-CZ 3.98Å; F74-F89 HydrophobicContact CD1-CE1 4.14Å; F74-F89 HydrophobicContact CD1-CZ 4.25Å; F74-F89 AromaticContact CE1-CE1 3.8Å; F74-F89 HydrophobicContact CE1-CE1 3.8Å; F74-F89 HydrophobicContact CE1-CZ 4.34Å; Q75-F89 PolarHBondContact NE2-O 3.43Å; D87-F89 PolarHBondContact O-N 3.43Å; F89-D93 HydrophobicContact CB-CB 4.24Å; F89-D93 HydrophobicContact CD2-CB 4.31Å; F89-L94 HydrophobicContact CD2-CB 4.21Å; F89-L94 HydrophobicContact CE2-CB 3.71Å; F89-L94 HydrophobicContact CE2-CD2 4.08Å; F89-L94 HydrophobicContact CZ-CB 4.43Å; F89-L94 HydrophobicContact CZ-CD2 4.02Å; F89-Q102 HydrophobicContact CB-CB 4.42Å; F89-Q102 HydrophobicContact CB-CG 3.77Å; F89-V103 HydrophobicContact CB-CG2 4.16Å; F89-V103 HydrophobicContact CD1-CB 4.37Å; F89-V103 HydrophobicContact CD1-CG1 4.19Å; F89-V103 HydrophobicContact CD1-CG2 4.29Å; F89-V103 HydrophobicContact CD2-CG2 3.87Å; F89-V103 HydrophobicContact CE1-CG1 4.07Å; F89-V103 HydrophobicContact CE2-CG2 4.35Å; F89-V103 HydrophobicContact CG-CB 4.4Å; F89-V103 HydrophobicContact CG-CG2 3.87Å; F89-V103 HydrophobicContact CZ-CG1 4.39Å; F89-C106 HydrophobicContact CD1-CB 3.68Å; F89-C106 HydrophobicContact CE1-CB 4.49Å
90Q98.1Very high97.5Very high124 Ų12452.4 Ų52.458%0.57930%0.304SS*.PPolyproline II helixtrans-85.8151.8174.5-52.1-169-80.100111.2V92 D93Q90-V92 HydrophobicContact CB-CG2 4.12Å; Q90-V92 PolarHBondContact O-N 2.94Å; Q90-D93 WeakPolarHBondContact CB-OD2 3.37Å; Q90-D93 PolarHBondContact N-OD2 3.25Å; Q90-D93 VanDerWaalsContact O-CB 3.25Å; Q90-D93 WeakPolarHBondContact O-CB 3.43Å; Q90-D93 PolarHBondContact O-N 3.23Å
91T98.2Very high97.4Very high31 Ų3149.5 Ų49.519%0.1928%0.28CS..Hα-helixtrans-51.6-39.5-177-41.10000113.3M68 I71 N72 D93 L94 F95M68-T91 HydrophobicContact CB-CG2 3.98Å; M68-T91 HydrophobicContact CG-CG2 3.78Å; I71-T91 HydrophobicContact CB-CG2 4.19Å; I71-T91 HydrophobicContact CD1-CG2 4.36Å; I71-T91 HydrophobicContact CG2-CG2 3.95Å; N72-T91 PolarHBondContact OD1-OG1 2.79Å; T91-D93 VanDerWaalsContact C-N 3.29Å; T91-D93 PolarHBondContact O-N 3.45Å; T91-L94 PolarHBondContact O-N 2.91Å; T91-F95 WeakPolarHBondContact O-CB 3.4Å; T91-F95 PolarHBondContact O-N 3.47Å
92V97.2Very high97.3Very high41 Ų4151.8 Ų51.825%0.24829%0.291CS..Hα-helixtrans-67-26.1178.2-63.80000113.8Q90 L94 E96 K97 K98Q90-V92 HydrophobicContact CB-CG2 4.12Å; Q90-V92 PolarHBondContact O-N 2.94Å; V92-L94 VanDerWaalsContact C-N 3.25Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-E96 HydrophobicContact CB-CG 4.47Å; V92-E96 CarbonylContact O-C 3.42Å; V92-E96 WeakPolarHBondContact O-CA 3.42Å; V92-E96 WeakPolarHBondContact O-CB 3.38Å; V92-E96 PolarHBondContact O-N 2.7Å; V92-K97 PolarHBondContact O-N 3.31Å; V92-K98 HydrophobicContact CG2-CD 4.01Å; V92-K98 PolarHBondContact O-N 3.35Å
93D98Very high97.4Very high11 Ų1149.6 Ų49.66%0.05927%0.268CS..Hα-helixtrans-63.1-37.5-178.8-61.6-23.3000110.8F89 Q90 T91 K97 K98 D99 I100 V103F89-D93 HydrophobicContact CB-CB 4.24Å; F89-D93 HydrophobicContact CD2-CB 4.31Å; Q90-D93 WeakPolarHBondContact CB-OD2 3.37Å; Q90-D93 PolarHBondContact N-OD2 3.25Å; Q90-D93 VanDerWaalsContact O-CB 3.25Å; Q90-D93 WeakPolarHBondContact O-CB 3.43Å; Q90-D93 PolarHBondContact O-N 3.23Å; T91-D93 VanDerWaalsContact C-N 3.29Å; T91-D93 PolarHBondContact O-N 3.45Å; D93-K97 CarbonylContact O-C 3.34Å; D93-K97 VanDerWaalsContact O-CA 3.22Å; D93-K97 WeakPolarHBondContact O-CA 3.49Å; D93-K98 PolarHBondContact O-N 3.27Å; D93-K98 VanDerWaalsContact O-N 3.15Å; D93-D99 HydrophobicContact CB-CB 4.21Å; D93-D99 PolarHBondContact O-N 3.47Å; D93-I100 WeakPolarHBondContact O-CD1 3.46Å; D93-V103 HydrophobicContact CB-CG2 4.23Å
94L98Very high97.4Very high0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-92.6-49.2174-179.455.5000112.6L36 L42 I71 F89 T91 V92 E96 K97 I100 V103L36-L94 HydrophobicContact CB-CD1 4.08Å; L36-L94 HydrophobicContact CB-CD2 4.39Å; L42-L94 HydrophobicContact CD1-CD2 3.64Å; I71-L94 HydrophobicContact CD1-CB 4.33Å; I71-L94 HydrophobicContact CD1-CD2 3.99Å; I71-L94 HydrophobicContact CD1-CG 4.18Å; I71-L94 HydrophobicContact CG1-CD2 4.14Å; F89-L94 HydrophobicContact CD2-CB 4.21Å; F89-L94 HydrophobicContact CE2-CB 3.71Å; F89-L94 HydrophobicContact CE2-CD2 4.08Å; F89-L94 HydrophobicContact CZ-CB 4.43Å; F89-L94 HydrophobicContact CZ-CD2 4.02Å; T91-L94 PolarHBondContact O-N 2.91Å; V92-L94 VanDerWaalsContact C-N 3.25Å; V92-L94 PolarHBondContact O-N 2.94Å; L94-E96 PolarHBondContact O-N 2.94Å; L94-K97 PolarHBondContact O-N 2.91Å; L94-I100 HydrophobicContact CD1-CD1 4.35Å; L94-V103 HydrophobicContact CB-CG2 3.88Å; L94-V103 HydrophobicContact CD1-CG1 4.42Å
95F97.5Very high97.3Very high38 Ų3850.1 Ų50.117%0.16727%0.265CS..Hα-helixtrans-64.5-45-172.5180-108.7000112.6P64 I67 M68 I71 T91P64-F95 HydrophobicContact CB-CE1 4.45Å; P64-F95 HydrophobicContact CB-CE2 4.19Å; P64-F95 HydrophobicContact CB-CZ 3.61Å; P64-F95 HydrophobicContact CG-CZ 4.07Å; I67-F95 HydrophobicContact CB-CD2 4.21Å; I67-F95 HydrophobicContact CB-CE2 4.2Å; I67-F95 HydrophobicContact CD1-CE2 4.09Å; I67-F95 HydrophobicContact CG2-CD2 3.63Å; I67-F95 HydrophobicContact CG2-CE2 4.09Å; M68-F95 HydrophobicContact CE-CD1 3.34Å; M68-F95 HydrophobicContact CE-CE1 3.39Å; M68-F95 HydrophobicContact CE-CG 4.1Å; M68-F95 HydrophobicContact CE-CZ 4.17Å; M68-F95 HydrophobicContact CG-CG 4.43Å; I71-F95 HydrophobicContact CD1-CB 4.22Å; T91-F95 WeakPolarHBondContact O-CB 3.4Å; T91-F95 PolarHBondContact O-N 3.47Å
96E96.6Very high97.4Very high125 Ų12545.3 Ų45.358%0.58424%0.235SC*.SBendtrans-99.73.6177.7-56.2-173.5-177.900112.4V92 L94 K98V92-E96 HydrophobicContact CB-CG 4.47Å; V92-E96 CarbonylContact O-C 3.42Å; V92-E96 WeakPolarHBondContact O-CA 3.42Å; V92-E96 WeakPolarHBondContact O-CB 3.38Å; V92-E96 PolarHBondContact O-N 2.7Å; L94-E96 PolarHBondContact O-N 2.94Å; E96-K98 PolarHBondContact O-N 3.48Å
97K96.3Very high97.4Very high77 Ų7741.2 Ų41.234%0.33520%0.201SC..  trans57.932.9-177.5-50.1178.7173.2-1610113.9E33 E34 V92 D93 L94 I100E33-K97 HydrophobicContact CG-CD 3.67Å; E33-K97 HydrophobicContact CG-CG 4.03Å; E33-K97 IonicContact OE1-NZ 2.67Å; E33-K97 PolarHBondContact OE1-NZ 3.5Å; E34-K97 WeakPolarHBondContact OE1-CE 3.34Å; E34-K97 IonicContact OE1-NZ 3.99Å; E34-K97 PolarHBondContact OE1-NZ 3.33Å; V92-K97 PolarHBondContact O-N 3.31Å; D93-K97 CarbonylContact O-C 3.34Å; D93-K97 VanDerWaalsContact O-CA 3.22Å; D93-K97 WeakPolarHBondContact O-CA 3.49Å; L94-K97 PolarHBondContact O-N 2.91Å; K97-I100 HydrophobicContact CB-CD1 4.06Å; K97-I100 HydrophobicContact CB-CG1 4.19Å; K97-I100 HydrophobicContact CG-CD1 4.29Å
98K96.3Very high97.4Very high138 Ų13840.2 Ų40.260%0.619%0.194SC*.SBendtrans-67.1-38.9-176.2-173.3-178.5179.91790112.8V92 D93 E96V92-K98 HydrophobicContact CG2-CD 4.01Å; V92-K98 PolarHBondContact O-N 3.35Å; D93-K98 PolarHBondContact O-N 3.27Å; D93-K98 VanDerWaalsContact O-N 3.15Å; E96-K98 PolarHBondContact O-N 3.48Å
99D96.3Very high97.3Very high47 Ų4739.5 Ų39.525%0.25119%0.189SC..  trans-149.777.8179-160.3-24.1000111.7D93 A101 Q102 V103D93-D99 HydrophobicContact CB-CB 4.21Å; D93-D99 PolarHBondContact O-N 3.47Å; D99-A101 PolarHBondContact O-N 2.85Å; D99-A101 PolarHBondContact OD1-N 3.43Å; D99-Q102 HydrophobicContact CB-CB 4.13Å; D99-Q102 WeakPolarHBondContact O-CB 3.35Å; D99-Q102 PolarHBondContact O-N 2.86Å; D99-Q102 PolarHBondContact OD1-N 2.9Å; D99-Q102 VanDerWaalsContact OD1-N 3.13Å; D99-V103 PolarHBondContact O-N 3.28Å
100I97.1Very high97.3Very high8 Ų839.3 Ų39.34%0.04119%0.189CC..Hα-helixtrans-63.3-28.5178.4-60.2-57.3000112.1Y32 E33 D93 L94 K97 Q102 V103 T104Y32-I100 HydrophobicContact CD1-CG2 3.67Å; Y32-I100 HydrophobicContact CE1-CG2 3.74Å; E33-I100 HydrophobicContact CB-CD1 3.42Å; E33-I100 VanDerWaalsContact CB-CD1 3.42Å; E33-I100 HydrophobicContact CB-CG1 3.9Å; E33-I100 HydrophobicContact CB-CG2 4.22Å; E33-I100 HydrophobicContact CG-CD1 4.19Å; E33-I100 HydrophobicContact CG-CG1 4.37Å; D93-I100 WeakPolarHBondContact O-CD1 3.46Å; L94-I100 HydrophobicContact CD1-CD1 4.35Å; K97-I100 HydrophobicContact CB-CD1 4.06Å; K97-I100 HydrophobicContact CB-CG1 4.19Å; K97-I100 HydrophobicContact CG-CD1 4.29Å; I100-Q102 VanDerWaalsContact C-N 3.3Å; I100-Q102 PolarHBondContact O-N 3.16Å; I100-V103 WeakPolarHBondContact O-CB 3.31Å; I100-V103 PolarHBondContact O-N 3.37Å; I100-V103 VanDerWaalsContact O-N 3.14Å; I100-T104 PolarHBondContact O-N 3.18Å; I100-T104 PolarHBondContact O-OG1 2.77Å
101A96.3Very high97.2Very high15 Ų1533.4 Ų33.412%0.12416%0.161CC..Hα-helixtrans-63.9-38.6176.800000111.1K5 R6 D99 V103 T104 Q105K5-A101 HydrophobicContact CB-CB 4.07Å; R6-A101 HydrophobicContact CG-CB 4.49Å; D99-A101 PolarHBondContact O-N 2.85Å; D99-A101 PolarHBondContact OD1-N 3.43Å; A101-V103 VanDerWaalsContact C-N 3.33Å; A101-V103 PolarHBondContact O-N 3.29Å; A101-T104 WeakPolarHBondContact O-CB 3.36Å; A101-T104 PolarHBondContact O-N 2.84Å; A101-Q105 WeakPolarHBondContact O-CG 3.37Å; A101-Q105 PolarHBondContact O-N 3.04Å
102Q96.9Very high97Very high57 Ų5737.2 Ų37.227%0.26617%0.172SC..Hα-helixtrans-64.1-36173.6-175.863.2400112.4A86 F89 D99 I100 Q105 C106A86-Q102 PolarHBondContact O-NE2 3.34Å; F89-Q102 HydrophobicContact CB-CB 4.42Å; F89-Q102 HydrophobicContact CB-CG 3.77Å; D99-Q102 HydrophobicContact CB-CB 4.13Å; D99-Q102 WeakPolarHBondContact O-CB 3.35Å; D99-Q102 PolarHBondContact O-N 2.86Å; D99-Q102 PolarHBondContact OD1-N 2.9Å; D99-Q102 VanDerWaalsContact OD1-N 3.13Å; I100-Q102 VanDerWaalsContact C-N 3.3Å; I100-Q102 PolarHBondContact O-N 3.16Å; Q102-Q105 PolarHBondContact O-N 3.18Å; Q102-C106 WeakPolarHBondContact O-CB 3.42Å; Q102-C106 PolarHBondContact O-N 3.02Å
103V98.3Very high96.9Very high0 Ų036 Ų360%017%0.165CC..Hα-helixtrans-62.7-44.5173.7-1760000110.6L36 F89 D93 L94 D99 I100 A101 C106 L107L36-V103 HydrophobicContact CD1-CG1 4.44Å; F89-V103 HydrophobicContact CB-CG2 4.16Å; F89-V103 HydrophobicContact CD1-CB 4.37Å; F89-V103 HydrophobicContact CD1-CG1 4.19Å; F89-V103 HydrophobicContact CD1-CG2 4.29Å; F89-V103 HydrophobicContact CD2-CG2 3.87Å; F89-V103 HydrophobicContact CE1-CG1 4.07Å; F89-V103 HydrophobicContact CE2-CG2 4.35Å; F89-V103 HydrophobicContact CG-CB 4.4Å; F89-V103 HydrophobicContact CG-CG2 3.87Å; F89-V103 HydrophobicContact CZ-CG1 4.39Å; D93-V103 HydrophobicContact CB-CG2 4.23Å; L94-V103 HydrophobicContact CB-CG2 3.88Å; L94-V103 HydrophobicContact CD1-CG1 4.42Å; D99-V103 PolarHBondContact O-N 3.28Å; I100-V103 WeakPolarHBondContact O-CB 3.31Å; I100-V103 PolarHBondContact O-N 3.37Å; I100-V103 VanDerWaalsContact O-N 3.14Å; A101-V103 VanDerWaalsContact C-N 3.33Å; A101-V103 PolarHBondContact O-N 3.29Å; V103-C106 WeakPolarHBondContact O-CB 3.27Å; V103-C106 PolarHBondContact O-N 2.89Å; V103-L107 HydrophobicContact CG1-CD1 4.39Å; V103-L107 PolarHBondContact O-N 2.93Å; V103-L107 VanDerWaalsContact O-N 3.13Å
104T97.5Very high96.7Very high5 Ų535.5 Ų35.53%0.03116%0.162CC..Hα-helixtrans-61-48.4175.9-53.50000111Q10 E11 V14 Y32 I100 A101 C106 L107 Y108Q10-T104 HydrophobicContact CB-CG2 4.06Å; E11-T104 HydrophobicContact CG-CG2 4.45Å; V14-T104 HydrophobicContact CG2-CG2 4.01Å; Y32-T104 WeakPolarHBondContact CE1-OG1 3.29Å; Y32-T104 PolarHBondContact OH-OG1 3.26Å; I100-T104 PolarHBondContact O-N 3.18Å; I100-T104 PolarHBondContact O-OG1 2.77Å; A101-T104 WeakPolarHBondContact O-CB 3.36Å; A101-T104 PolarHBondContact O-N 2.84Å; T104-C106 VanDerWaalsContact C-N 3.34Å; T104-C106 PolarHBondContact O-N 3.43Å; T104-L107 PolarHBondContact O-N 3.39Å; T104-L107 VanDerWaalsContact O-N 3.08Å; T104-Y108 HydrophobicContact CG2-CD2 4.08Å; T104-Y108 HydrophobicContact CG2-CE2 3.95Å; T104-Y108 WeakPolarHBondContact O-CD2 3.29Å; T104-Y108 PolarHBondContact O-N 3.16Å
105Q96Very high96.4Very high78 Ų7837.8 Ų37.836%0.36417%0.173SC..Hα-helixtrans-61.9-39.5178.2-69.1-53.7-47.300112.8Q10 A101 Q102 L107 Y108 A109Q10-Q105 VanDerWaalsContact OE1-NE2 3.15Å; A101-Q105 WeakPolarHBondContact O-CG 3.37Å; A101-Q105 PolarHBondContact O-N 3.04Å; Q102-Q105 PolarHBondContact O-N 3.18Å; Q105-L107 VanDerWaalsContact C-N 3.27Å; Q105-L107 PolarHBondContact O-N 3.32Å; Q105-Y108 PolarHBondContact O-N 3.33Å; Q105-A109 PolarHBondContact O-N 3.44Å
106C98.4Very high96Very high0 Ų040.5 Ų40.50%019%0.192CC..Hα-helixtrans-57.7-40.2172.9-178.80000112.1I78 D87 F89 Q102 V103 T104 A109 L110I78-C106 WeakPolarHBondContact CD1-SG 3.37Å; D87-C106 VanDerWaalsContact O-CA 3.3Å; D87-C106 WeakPolarHBondContact O-CA 3.49Å; D87-C106 WeakPolarHBondContact O-CB 3.32Å; F89-C106 HydrophobicContact CD1-CB 3.68Å; F89-C106 HydrophobicContact CE1-CB 4.49Å; Q102-C106 WeakPolarHBondContact O-CB 3.42Å; Q102-C106 PolarHBondContact O-N 3.02Å; V103-C106 WeakPolarHBondContact O-CB 3.27Å; V103-C106 PolarHBondContact O-N 2.89Å; T104-C106 VanDerWaalsContact C-N 3.34Å; T104-C106 PolarHBondContact O-N 3.43Å; C106-A109 WeakPolarHBondContact O-CB 3.47Å; C106-A109 PolarHBondContact O-N 3.14Å; C106-L110 PolarHBondContact O-N 3.25Å
107L98.5Very high95.8Very high0 Ų036.8 Ų36.80%018%0.175CC..Hα-helixtrans-72.3-35.6178.7-71.5167.7000112.1V14 L36 L42 F74 V103 T104 Q105 A109 L110 G111 L125V14-L107 HydrophobicContact CG1-CB 3.94Å; V14-L107 HydrophobicContact CG1-CD1 3.48Å; V14-L107 VanDerWaalsContact CG1-CD1 3.48Å; V14-L107 HydrophobicContact CG1-CG 4.28Å; V14-L107 HydrophobicContact CG2-CB 4.22Å; L36-L107 HydrophobicContact CD1-CD1 3.83Å; L42-L107 HydrophobicContact CD2-CD1 4.12Å; L42-L107 HydrophobicContact CD2-CD2 3.93Å; F74-L107 HydrophobicContact CZ-CD2 3.97Å; V103-L107 HydrophobicContact CG1-CD1 4.39Å; V103-L107 PolarHBondContact O-N 2.93Å; V103-L107 VanDerWaalsContact O-N 3.13Å; T104-L107 PolarHBondContact O-N 3.39Å; T104-L107 VanDerWaalsContact O-N 3.08Å; Q105-L107 VanDerWaalsContact C-N 3.27Å; Q105-L107 PolarHBondContact O-N 3.32Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-L110 HydrophobicContact CD2-CD2 4.39Å; L107-L110 PolarHBondContact O-N 3.17Å; L107-G111 PolarHBondContact O-N 2.7Å; L107-L125 WeakPolarHBondContact O-CD2 3.35Å
108Y97Very high95.5Very high30 Ų3039 Ų3912%0.11820%0.197CC..Hα-helixtrans-63.2-37.4167.2-86.5-87.8000112.5Q10 S13 V14 T104 Q105 G111 R112 L125Q10-Y108 WeakPolarHBondContact CA-OH 3.39Å; Q10-Y108 HydrophobicContact CB-CE2 3.87Å; Q10-Y108 HydrophobicContact CG-CE2 4.18Å; Q10-Y108 PolarHBondContact O-OH 2.79Å; S13-Y108 WeakPolarHBondContact CB-OH 3.46Å; V14-Y108 HydrophobicContact CG2-CD2 3.91Å; V14-Y108 HydrophobicContact CG2-CE2 3.57Å; T104-Y108 HydrophobicContact CG2-CD2 4.08Å; T104-Y108 HydrophobicContact CG2-CE2 3.95Å; T104-Y108 WeakPolarHBondContact O-CD2 3.29Å; T104-Y108 PolarHBondContact O-N 3.16Å; Q105-Y108 PolarHBondContact O-N 3.33Å; Y108-G111 PolarHBondContact O-N 2.9Å; Y108-R112 WeakPolarHBondContact O-CB 3.17Å; Y108-R112 VanDerWaalsContact O-CG 3.3Å; Y108-R112 WeakPolarHBondContact O-CG 3.44Å; Y108-R112 PolarHBondContact O-N 3.09Å; Y108-R112 PolarHBondContact O-NE 3.34Å; Y108-L125 HydrophobicContact CD1-CD1 4.31Å; Y108-L125 HydrophobicContact CD1-CD2 4.14Å; Y108-L125 HydrophobicContact CD1-CG 3.73Å; Y108-L125 HydrophobicContact CD2-CD2 4.22Å; Y108-L125 HydrophobicContact CE1-CD1 3.78Å; Y108-L125 HydrophobicContact CE1-CD2 4.41Å; Y108-L125 HydrophobicContact CE1-CG 3.72Å; Y108-L125 HydrophobicContact CE2-CD1 4.34Å; Y108-L125 HydrophobicContact CE2-CD2 4.46Å; Y108-L125 HydrophobicContact CG-CD2 4.04Å; Y108-L125 HydrophobicContact CG-CG 4.16Å
109A96.8Very high95.1Very high1 Ų138.5 Ų38.51%0.00820%0.197CC..Hα-helixtrans-63.9-42.8173.500000111.3V83 D87 Q105 C106 L107 R112 T113V83-A109 HydrophobicContact CG1-CB 3.96Å; D87-A109 HydrophobicContact CB-CB 3.63Å; Q105-A109 PolarHBondContact O-N 3.44Å; C106-A109 WeakPolarHBondContact O-CB 3.47Å; C106-A109 PolarHBondContact O-N 3.14Å; L107-A109 VanDerWaalsContact C-N 3.33Å; A109-R112 PolarHBondContact O-N 3.35Å; A109-T113 VanDerWaalsContact O-CB 3.3Å; A109-T113 WeakPolarHBondContact O-CB 3.44Å; A109-T113 PolarHBondContact O-N 3.16Å; A109-T113 PolarHBondContact O-OG1 2.84Å
110L97.8Very high95Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-61.4-46.1173-179.561.2000112.1W17 V45 I46 L49 F74 I78 Y81 V83 C106 L107 R112 T113 C114W17-L110 HydrophobicContact CH2-CD2 3.93Å; W17-L110 HydrophobicContact CH2-CG 3.97Å; W17-L110 HydrophobicContact CZ3-CD2 4.32Å; V45-L110 HydrophobicContact CG1-CD2 4.23Å; I46-L110 HydrophobicContact CD1-CD1 4.27Å; L49-L110 HydrophobicContact CD1-CD1 4.05Å; L49-L110 HydrophobicContact CD1-CD2 4.11Å; L49-L110 HydrophobicContact CD1-CG 4.07Å; F74-L110 HydrophobicContact CE2-CD2 4.04Å; F74-L110 HydrophobicContact CZ-CD2 4.05Å; I78-L110 HydrophobicContact CB-CD1 4.33Å; I78-L110 HydrophobicContact CG2-CD1 3.89Å; I78-L110 HydrophobicContact CG2-CD2 3.97Å; I78-L110 HydrophobicContact CG2-CG 4.47Å; Y81-L110 HydrophobicContact CD1-CD1 3.74Å; Y81-L110 HydrophobicContact CE1-CD1 4.12Å; V83-L110 HydrophobicContact CG2-CB 4.09Å; V83-L110 HydrophobicContact CG2-CD1 3.79Å; C106-L110 PolarHBondContact O-N 3.25Å; L107-L110 HydrophobicContact CD2-CD2 4.39Å; L107-L110 PolarHBondContact O-N 3.17Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.32Å; L110-T113 PolarHBondContact O-N 2.87Å; L110-T113 VanDerWaalsContact O-N 3.14Å; L110-C114 PolarHBondContact O-N 3.49Å
111G96.1Very high94.6Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-68.1-24.9179.100000114.4L107 Y108 C114 Q115L107-G111 PolarHBondContact O-N 2.7Å; Y108-G111 PolarHBondContact O-N 2.9Å; G111-C114 PolarHBondContact O-SG 2.9Å; G111-Q115 PolarHBondContact O-NE2 2.92Å
112R94.6Very high94.3Very high111 Ų11145.7 Ų45.742%0.41924%0.238SC..Hα-helixtrans-77.5-41.2167.1-72.1177.5-66158.22.4111.2Y108 A109 L110 C114 Q115Y108-R112 WeakPolarHBondContact O-CB 3.17Å; Y108-R112 VanDerWaalsContact O-CG 3.3Å; Y108-R112 WeakPolarHBondContact O-CG 3.44Å; Y108-R112 PolarHBondContact O-N 3.09Å; Y108-R112 PolarHBondContact O-NE 3.34Å; A109-R112 PolarHBondContact O-N 3.35Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.32Å; R112-C114 PolarHBondContact O-N 3.1Å; R112-Q115 WeakPolarHBondContact O-CB 3.36Å; R112-Q115 PolarHBondContact O-N 2.89Å
113T95Very high94.1Very high15 Ų1545.3 Ų45.39%0.09224%0.24CC..Hα-helixtrans-63.2-40.4-179.6-58.40000111.3Y81 V83 A109 L110 Q115 T116 H117Y81-T113 HydrophobicContact CD1-CG2 3.94Å; Y81-T113 HydrophobicContact CE1-CG2 4.14Å; V83-T113 HydrophobicContact CG2-CG2 4.25Å; A109-T113 VanDerWaalsContact O-CB 3.3Å; A109-T113 WeakPolarHBondContact O-CB 3.44Å; A109-T113 PolarHBondContact O-N 3.16Å; A109-T113 PolarHBondContact O-OG1 2.84Å; L110-T113 PolarHBondContact O-N 2.87Å; L110-T113 VanDerWaalsContact O-N 3.14Å; T113-Q115 PolarHBondContact O-N 3.35Å; T113-T116 PolarHBondContact O-N 3.08Å; T113-T116 PolarHBondContact O-OG1 2.67Å; T113-H117 PolarHBondContact O-CD2 3.04Å; T113-H117 VanDerWaalsContact O-CD2 3.22Å
114C93.9Very high93.8Very high0 Ų048.2 Ų48.20%026%0.258CS..Hα-helixtrans-59.5-32.1177.2640000112.6L49 Y81 L110 G111 R112 T116 H117 Y120L49-C114 HydrophobicContact CD2-CB 4.44Å; Y81-C114 HydrophobicContact CE1-CB 4.15Å; L110-C114 PolarHBondContact O-N 3.49Å; G111-C114 PolarHBondContact O-SG 2.9Å; R112-C114 PolarHBondContact O-N 3.1Å; C114-T116 PolarHBondContact O-N 2.88Å; C114-H117 PolarHBondContact O-N 2.77Å; C114-Y120 HydrophobicContact CB-CD1 3.89Å; C114-Y120 HydrophobicContact CB-CD2 4Å; C114-Y120 HydrophobicContact CB-CE1 3.82Å; C114-Y120 HydrophobicContact CB-CE2 3.95Å; C114-Y120 HydrophobicContact CB-CG 3.95Å; C114-Y120 WeakPolarHBondContact O-CB 3.23Å; C114-Y120 WeakPolarHBondContact O-CD1 3.14Å; C114-Y120 VanDerWaalsContact O-CG 3.29Å; C114-Y120 WeakPolarHBondContact SG-CE1 3.38Å; C114-Y120 VanDerWaalsContact SG-CZ 3.51Å
115Q90.8Very high93.6Very high48 Ų4848.1 Ų48.122%0.22426%0.258CS..THydrogen-bonded Turntrans-71.1-13.3177.9-64.2172.469.300113.6G111 R112 T113 T124 L129G111-Q115 PolarHBondContact O-NE2 2.92Å; R112-Q115 WeakPolarHBondContact O-CB 3.36Å; R112-Q115 PolarHBondContact O-N 2.89Å; T113-Q115 PolarHBondContact O-N 3.35Å; Q115-T124 HydrophobicContact CG-CG2 3.77Å; Q115-L129 HydrophobicContact CB-CD1 4.09Å
116T90.5Very high92.8Very high95 Ų9545.9 Ų45.958%0.58326%0.255SS*.THydrogen-bonded Turntrans-86.4-1217571.30000112.7T113 C114T113-T116 PolarHBondContact O-N 3.08Å; T113-T116 PolarHBondContact O-OG1 2.67Å; C114-T116 PolarHBondContact O-N 2.88Å
117H91.2Very high91.5Very high47 Ų4751.7 Ų51.722%0.21829%0.293CS..SBendtrans-86.3117.3176.3-70.6-85.6000109.8Y81 T113 C114 E119 Y120Y81-H117 AromaticContact CD1-NE2 3.95Å; Y81-H117 AromaticContact CD2-NE2 4Å; Y81-H117 AromaticContact CE1-CD2 3.65Å; Y81-H117 AromaticContact CE1-NE2 3.62Å; Y81-H117 AromaticContact CE2-CD2 3.91Å; Y81-H117 AromaticContact CE2-CE1 3.96Å; Y81-H117 AromaticContact CE2-NE2 3.66Å; Y81-H117 AromaticContact CZ-CD2 3.34Å; Y81-H117 AromaticContact CZ-NE2 3.46Å; Y81-H117 PolarHBondContact O-CE1 3.23Å; Y81-H117 PolarHBondContact O-NE2 3.45Å; Y81-H117 PolarHBondContact OH-CD2 3.36Å; Y81-H117 VanDerWaalsContact OH-CD2 3.28Å; T113-H117 PolarHBondContact O-CD2 3.04Å; T113-H117 VanDerWaalsContact O-CD2 3.22Å; C114-H117 PolarHBondContact O-N 2.77Å; H117-E119 IonicContact CG-OE1 3.99Å; H117-E119 IonicContact ND1-OE1 3.79Å; H117-E119 PolarHBondContact O-N 3.39Å; H117-E119 VanDerWaalsContact O-N 3.14Å; H117-Y120 VanDerWaalsContact O-CB 3.27Å; H117-Y120 WeakPolarHBondContact O-CB 3.22Å; H117-Y120 PolarHBondContact O-N 3.37Å
118P90Very high89.5Confident124 Ų12460.1 Ų60.181%0.80533%0.33SS*.THydrogen-bonded Turntrans-59.1-27.6-173.7-25.734.5000115.1Y120P118-Y120 VanDerWaalsContact C-N 3.26Å; P118-Y120 PolarHBondContact O-N 2.92Å
119E89.3Confident87.6Confident127 Ų12763.3 Ų63.359%0.59335%0.348SS*.THydrogen-bonded Turntrans-75.4-14.9177.671.6-83-163.700113.3H117 N121H117-E119 IonicContact CG-OE1 3.99Å; H117-E119 IonicContact ND1-OE1 3.79Å; H117-E119 PolarHBondContact O-N 3.39Å; H117-E119 VanDerWaalsContact O-N 3.14Å; E119-N121 PolarHBondContact O-N 2.84Å; E119-N121 PolarHBondContact O-ND2 3.38Å
120Y92.3Very high85.5Confident38 Ų3868 Ų6815%0.14939%0.387CS..  trans-78.3112-174.2-170.8-105.3000112L49 C114 H117 P118 P123L49-Y120 HydrophobicContact CD2-CD2 4.24Å; L49-Y120 HydrophobicContact CD2-CE2 3.38Å; C114-Y120 HydrophobicContact CB-CD1 3.89Å; C114-Y120 HydrophobicContact CB-CD2 4Å; C114-Y120 HydrophobicContact CB-CE1 3.82Å; C114-Y120 HydrophobicContact CB-CE2 3.95Å; C114-Y120 HydrophobicContact CB-CG 3.95Å; C114-Y120 WeakPolarHBondContact O-CB 3.23Å; C114-Y120 WeakPolarHBondContact O-CD1 3.14Å; C114-Y120 VanDerWaalsContact O-CG 3.29Å; C114-Y120 WeakPolarHBondContact SG-CE1 3.38Å; C114-Y120 VanDerWaalsContact SG-CZ 3.51Å; H117-Y120 VanDerWaalsContact O-CB 3.27Å; H117-Y120 WeakPolarHBondContact O-CB 3.22Å; H117-Y120 PolarHBondContact O-N 3.37Å; P118-Y120 VanDerWaalsContact C-N 3.26Å; P118-Y120 PolarHBondContact O-N 2.92Å; Y120-P123 PolarHBondContact OH-O 3.37Å
121N89.2Confident83.5Confident153 Ų15376.7 Ų76.782%0.81843%0.428SS*.  trans-119.625.1174.9-66.1-69.9000111.8E119E119-N121 PolarHBondContact O-N 2.84Å; E119-N121 PolarHBondContact O-ND2 3.38Å
122G90.7Very high81.9Confident30 Ų3084 Ų8431%0.30946%0.462SS..SBendtrans-89.1-177-17500000114.3
123P92.9Very high80.5Confident49 Ų4984.5 Ų84.532%0.31847%0.473SS..  trans-56.8142.6174.2-22.933.8000112W17 A20 V21 Y120W17-P123 PolarHBondContact NE1-O 3.41Å; A20-P123 HydrophobicContact CB-CB 3.7Å; A20-P123 HydrophobicContact CB-CG 3.49Å; A20-P123 VanDerWaalsContact CB-CG 3.49Å; V21-P123 HydrophobicContact CG2-CB 4.45Å; V21-P123 HydrophobicContact CG2-CG 4.33Å; Y120-P123 PolarHBondContact OH-O 3.37Å
124T92Very high79.2Confident61 Ų6191.1 Ų91.137%0.37450%0.5SS..  trans-104.6151.9178.758.90000110.6W17 Q115W17-T124 VanDerWaalsContact CD1-C 3.48Å; Q115-T124 HydrophobicContact CG-CG2 3.77Å
125L92.4Very high77.9Confident3 Ų399.6 Ų99.62%0.01653%0.533CS..  trans-117.7129.2174.4177.962000109.4S13 V14 W17 L107 Y108S13-L125 WeakPolarHBondContact O-CD1 3.44Å; V14-L125 HydrophobicContact CG2-CD1 4.26Å; V14-L125 HydrophobicContact CG2-CD2 3.84Å; W17-L125 HydrophobicContact CB-CB 4.11Å; W17-L125 HydrophobicContact CB-CD1 3.97Å; W17-L125 HydrophobicContact CB-CG 4.43Å; W17-L125 HydrophobicContact CD2-CB 3.93Å; W17-L125 HydrophobicContact CD2-CD2 4.2Å; W17-L125 HydrophobicContact CE3-CD2 4.06Å; W17-L125 HydrophobicContact CG-CB 3.66Å; W17-L125 HydrophobicContact CG-CD1 4.44Å; W17-L125 HydrophobicContact CG-CD2 4.42Å; W17-L125 HydrophobicContact CG-CG 4.38Å; L107-L125 WeakPolarHBondContact O-CD2 3.35Å; Y108-L125 HydrophobicContact CD1-CD1 4.31Å; Y108-L125 HydrophobicContact CD1-CD2 4.14Å; Y108-L125 HydrophobicContact CD1-CG 3.73Å; Y108-L125 HydrophobicContact CD2-CD2 4.22Å; Y108-L125 HydrophobicContact CE1-CD1 3.78Å; Y108-L125 HydrophobicContact CE1-CD2 4.41Å; Y108-L125 HydrophobicContact CE1-CG 3.72Å; Y108-L125 HydrophobicContact CE2-CD1 4.34Å; Y108-L125 HydrophobicContact CE2-CD2 4.46Å; Y108-L125 HydrophobicContact CG-CD2 4.04Å; Y108-L125 HydrophobicContact CG-CG 4.16Å
126G80.7Confident77.2Confident31 Ų31105.8 Ų105.832%0.3256%0.561SS.*SBendtrans83.3-179.4-173.100000113.2K128G126-K128 PolarHBondContact O-N 3Å
127P69.9Low76.8Confident123 Ų123106.9 Ų106.980%0.79956%0.558SS**SBendtrans-60.2140177.125.3-32.5000109.9L129P127-L129 PolarHBondContact O-N 3.35Å
128K57.2Low76.3Confident176 Ų176108.5 Ų108.577%0.76557%0.571SS**PPolyproline II helixtrans-53.2126.3174.1-69.7-177.2178.8-179.80108.8G126 A130G126-K128 PolarHBondContact O-N 3Å; K128-A130 PolarHBondContact O-N 3.34Å
129L56.2Low76.1Confident97 Ų97109.3 Ų109.351%0.50857%0.569SS.*PPolyproline II helixtrans-54.6125.8170.8-81.9155.8000108Q115 P127 Q131Q115-L129 HydrophobicContact CB-CD1 4.09Å; P127-L129 PolarHBondContact O-N 3.35Å; L129-Q131 PolarHBondContact O-N 2.9Å; L129-Q131 VanDerWaalsContact O-N 3.08Å
130A53.6Low75.7Confident99 Ų99109.2 Ų109.282%0.81857%0.569SS**PPolyproline II helixtrans-60.1117.8175.300000107.9K128 E132K128-A130 PolarHBondContact O-N 3.34Å; A130-E132 PolarHBondContact O-N 3.48Å
131Q56.1Low75.2Confident184 Ų184112.5 Ų112.586%0.8659%0.585SS**PPolyproline II helixtrans-63.9132.2166.7-84.5-176.6-13.500108L129 N133L129-Q131 PolarHBondContact O-N 2.9Å; L129-Q131 VanDerWaalsContact O-N 3.08Å; Q131-N133 PolarHBondContact O-N 3.16Å
132E62.4Low74.9Confident153 Ų153110 Ų11072%0.71557%0.572SS**  trans-58.7101.7170.7-173.8-177.3129.600108.3A130 K134A130-E132 PolarHBondContact O-N 3.48Å; E132-K134 VanDerWaalsContact C-N 3.25Å; E132-K134 HydrophobicContact CG-CG 4.09Å; E132-K134 PolarHBondContact O-N 2.97Å; E132-K134 WeakPolarHBondContact OE1-CD 3.43Å; E132-K134 WeakPolarHBondContact OE1-CE 3.49Å; E132-K134 WeakPolarHBondContact OE1-CG 3.15Å; E132-K134 IonicContact OE1-NZ 3.94Å
133N64.4Low74.6Confident121 Ų121115.5 Ų115.565%0.64758%0.583SS**  trans-8183.2171.7-168.6-42.8000106.6Q131 R135Q131-N133 PolarHBondContact O-N 3.16Å; N133-R135 PolarHBondContact O-N 2.86Å; N133-R135 VanDerWaalsContact OD1-CG 3.31Å; N133-R135 WeakPolarHBondContact OD1-CG 3.42Å
134K67Low73.9Confident154 Ų154118.7 Ų118.767%0.6759%0.593SS**  trans-60.297164.8-74-167.5-179-178.60107.1E132 E136E132-K134 VanDerWaalsContact C-N 3.25Å; E132-K134 HydrophobicContact CG-CG 4.09Å; E132-K134 PolarHBondContact O-N 2.97Å; E132-K134 WeakPolarHBondContact OE1-CD 3.43Å; E132-K134 WeakPolarHBondContact OE1-CE 3.49Å; E132-K134 WeakPolarHBondContact OE1-CG 3.15Å; E132-K134 IonicContact OE1-NZ 3.94Å; K134-E136 PolarHBondContact O-N 3.46Å; K134-E136 VanDerWaalsContact O-N 3.14Å
135R68Low73.2Confident179 Ų179117.8 Ų117.868%0.67560%0.597SS**  trans-75.9100.8171.9-69.9172.2168.2-172.8-5.3106.6N133 F137N133-R135 PolarHBondContact O-N 2.86Å; N133-R135 VanDerWaalsContact OD1-CG 3.31Å; N133-R135 WeakPolarHBondContact OD1-CG 3.42Å; R135-F137 HydrophobicContact CB-CE2 3.91Å; R135-F137 HydrophobicContact CB-CZ 4Å; R135-F137 WeakPolarHBondContact O-CD2 3.34Å; R135-F137 PolarHBondContact O-N 3.09Å
136E76.2Confident72.5Confident177 Ų177121.6 Ų121.683%0.82763%0.629SS**  trans-74.1112.4166.1-64.7-173.2169.800107.2K134K134-E136 PolarHBondContact O-N 3.46Å; K134-E136 VanDerWaalsContact O-N 3.14Å
137F81.7Confident72.2Confident118 Ų118126.1 Ų126.152%0.51865%0.645SS.*  trans-86.2138.7169.8-63.6-81.1000107.8R135 Q141 L142R135-F137 HydrophobicContact CB-CE2 3.91Å; R135-F137 HydrophobicContact CB-CZ 4Å; R135-F137 WeakPolarHBondContact O-CD2 3.34Å; R135-F137 PolarHBondContact O-N 3.09Å; F137-Q141 HydrophobicContact CB-CB 4.35Å; F137-L142 HydrophobicContact CB-CD1 3.89Å; F137-L142 HydrophobicContact CB-CG 3.92Å
138T81.3Confident72.2Confident81 Ų81125.2 Ų125.250%0.49764%0.638SS.*  trans-65.7150.1170.2670000109.3E140 Q141 L142T138-E140 PolarHBondContact O-N 3.26Å; T138-E140 VanDerWaalsContact O-N 3.08Å; T138-Q141 VanDerWaalsContact N-OE1 3.09Å; T138-Q141 WeakPolarHBondContact O-CA 3.35Å; T138-Q141 WeakPolarHBondContact O-CB 2.97Å; T138-Q141 PolarHBondContact O-N 3.33Å; T138-Q141 VanDerWaalsContact OG1-CG 3.32Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.3Å; T138-Q141 PolarHBondContact OG1-N 3.01Å; T138-Q141 VanDerWaalsContact OG1-N 3.15Å; T138-L142 PolarHBondContact O-N 3.15Å
139D83.9Confident72.8Confident141 Ų141122.5 Ų122.575%0.75463%0.63SS**Hα-helixtrans-53.5-32.7175.5-73-40.9000111.9L142 R143D139-L142 PolarHBondContact O-N 3.33Å; D139-R143 VanDerWaalsContact O-CB 3.32Å; D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 PolarHBondContact O-N 3.49Å
140E82.7Confident73.4Confident125 Ų125120.3 Ų120.358%0.58462%0.623SS**Hα-helixtrans-68.3-41.7176.6-154.8146.4-136.300112.2T138 R143 E144T138-E140 PolarHBondContact O-N 3.26Å; T138-E140 VanDerWaalsContact O-N 3.08Å; E140-R143 PolarHBondContact O-N 2.83Å; E140-R143 IonicContact OE1-NH2 3.21Å; E140-R143 PolarHBondContact OE1-NH2 3.18Å; E140-E144 WeakPolarHBondContact O-CG 3.25Å; E140-E144 PolarHBondContact O-N 2.68Å
141Q81.8Confident74.3Confident107 Ų107122.6 Ų122.650%0.562%0.62SS.*Hα-helixtrans-64.1-41171.5-75.3173.8-35.700112.3F137 T138 R143 E144 G145F137-Q141 HydrophobicContact CB-CB 4.35Å; T138-Q141 VanDerWaalsContact N-OE1 3.09Å; T138-Q141 WeakPolarHBondContact O-CA 3.35Å; T138-Q141 WeakPolarHBondContact O-CB 2.97Å; T138-Q141 PolarHBondContact O-N 3.33Å; T138-Q141 VanDerWaalsContact OG1-CG 3.32Å; T138-Q141 WeakPolarHBondContact OG1-CG 3.3Å; T138-Q141 PolarHBondContact OG1-N 3.01Å; T138-Q141 VanDerWaalsContact OG1-N 3.15Å; Q141-R143 VanDerWaalsContact C-N 3.31Å; Q141-R143 PolarHBondContact O-N 3.03Å; Q141-E144 PolarHBondContact O-N 3.4Å; Q141-G145 PolarHBondContact O-N 2.94Å
142L82.9Confident75.1Confident101 Ų101122.4 Ų122.453%0.52962%0.62SS.*Hα-helixtrans-60.2-42.4174.9-82.3139.9000111.1F137 T138 D139 G145 A146F137-L142 HydrophobicContact CB-CD1 3.89Å; F137-L142 HydrophobicContact CB-CG 3.92Å; T138-L142 PolarHBondContact O-N 3.15Å; D139-L142 PolarHBondContact O-N 3.33Å; L142-G145 PolarHBondContact O-N 3.16Å; L142-A146 PolarHBondContact O-N 3.1Å
143R82.9Confident75.5Confident146 Ų146124.6 Ų124.655%0.55162%0.623SS**Hα-helixtrans-67.6-42.9177.5-174.1171.564.3114.1-2112.8D139 E140 Q141 G145 A146D139-R143 VanDerWaalsContact O-CB 3.32Å; D139-R143 WeakPolarHBondContact O-CB 3.47Å; D139-R143 PolarHBondContact O-N 3.49Å; E140-R143 PolarHBondContact O-N 2.83Å; E140-R143 IonicContact OE1-NH2 3.21Å; E140-R143 PolarHBondContact OE1-NH2 3.18Å; Q141-R143 VanDerWaalsContact C-N 3.31Å; Q141-R143 PolarHBondContact O-N 3.03Å; R143-G145 VanDerWaalsContact C-N 3.27Å; R143-G145 PolarHBondContact O-N 3.33Å; R143-A146 WeakPolarHBondContact O-CB 3.28Å; R143-A146 PolarHBondContact O-N 2.89Å
144E78.6Confident75.7Confident115 Ų115120.7 Ų120.754%0.53761%0.612SS.*Hα-helixtrans-61.7-38.4173.8-73-60.2118.800111.2E140 Q141 A146 N147E140-E144 WeakPolarHBondContact O-CG 3.25Å; E140-E144 PolarHBondContact O-N 2.68Å; Q141-E144 PolarHBondContact O-N 3.4Å; E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.29Å; E144-N147 PolarHBondContact O-N 2.96Å
145G78.5Confident75.7Confident43 Ų43117.3 Ų117.344%0.44360%0.604SS.*Hα-helixtrans-59.4-34.6174.700000113.8Q141 L142 R143 N147 V148Q141-G145 PolarHBondContact O-N 2.94Å; L142-G145 PolarHBondContact O-N 3.16Å; R143-G145 VanDerWaalsContact C-N 3.27Å; R143-G145 PolarHBondContact O-N 3.33Å; G145-N147 PolarHBondContact O-N 2.82Å; G145-V148 WeakPolarHBondContact O-CB 3.26Å; G145-V148 PolarHBondContact O-N 3.27Å; G145-V148 VanDerWaalsContact O-N 3.14Å
146A77.7Confident75.6Confident83 Ų83114.7 Ų114.769%0.68660%0.603SS**Hα-helixtrans-65.7-25.6-179.400000113.4L142 R143 E144L142-A146 PolarHBondContact O-N 3.1Å; R143-A146 WeakPolarHBondContact O-CB 3.28Å; R143-A146 PolarHBondContact O-N 2.89Å; E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.29Å
147N73.1Confident75.1Confident125 Ų125115.3 Ų115.367%0.66860%0.603SS**THydrogen-bonded Turntrans-93.91.4178.1-63.6-43000113E144 G145 I149E144-N147 PolarHBondContact O-N 2.96Å; G145-N147 PolarHBondContact O-N 2.82Å; N147-I149 PolarHBondContact O-N 2.92Å; N147-I149 VanDerWaalsContact O-N 3.14Å
148V70.9Confident74.4Confident105 Ų105113 Ų11364%0.63661%0.613SS**  trans-74.7105.9178.1179.60000109.6G145 S150G145-V148 WeakPolarHBondContact O-CB 3.26Å; G145-V148 PolarHBondContact O-N 3.27Å; G145-V148 VanDerWaalsContact O-N 3.14Å; V148-S150 PolarHBondContact O-N 3.15Å
149I68.6Low73.7Confident118 Ų118113.2 Ų113.261%0.60562%0.623SS**  trans-66.8119.7171.5-59.7173.1000108.3N147N147-I149 PolarHBondContact O-N 2.92Å; N147-I149 VanDerWaalsContact O-N 3.14Å
150S70Confident72.8Confident51 Ų51110.8 Ų110.836%0.35762%0.616SS.*  trans-61.6144.617976.50000110.6V148 Q152 Y153V148-S150 PolarHBondContact O-N 3.15Å; S150-Q152 PolarHBondContact O-N 3.22Å; S150-Y153 PolarHBondContact O-N 3.33Å; S150-Y153 VanDerWaalsContact OG-CD2 3.26Å; S150-Y153 WeakPolarHBondContact OG-CD2 2.8Å
151L71.9Confident72Confident147 Ų147111.2 Ų111.277%0.7762%0.618SS**G310 helixtrans-52.1-22.7178.8-86.3148.5000114.3Y153 G154 T155L151-Y153 VanDerWaalsContact C-N 3.3Å; L151-Y153 PolarHBondContact O-N 3.42Å; L151-G154 PolarHBondContact O-N 3Å; L151-T155 HydrophobicContact CD2-CG2 4.29Å
152Q72.4Confident71.2Confident181 Ų181110.2 Ų110.285%0.84663%0.628SS**G310 helixtrans-64.9-30.4175.6-68.7-175.9-3000113.4S150 G154S150-Q152 PolarHBondContact O-N 3.22Å; Q152-G154 PolarHBondContact O-N 3.11Å
153Y71.2Confident70.3Confident198 Ų198109 Ų10978%0.77664%0.641SS**G310 helixtrans-867.1176.4-68.6-76.8000112.8S150 L151S150-Y153 PolarHBondContact O-N 3.33Å; S150-Y153 VanDerWaalsContact OG-CD2 3.26Å; S150-Y153 WeakPolarHBondContact OG-CD2 2.8Å; L151-Y153 VanDerWaalsContact C-N 3.3Å; L151-Y153 PolarHBondContact O-N 3.42Å
154G67.6Low69.4Low40 Ų40108.2 Ų108.241%0.41265%0.645SS.*  trans94.5164.3-174.600000112.7L151 Q152L151-G154 PolarHBondContact O-N 3Å; Q152-G154 PolarHBondContact O-N 3.11Å
155T67.6Low68.8Low82 Ų82107.8 Ų107.850%0.50365%0.651SS.*  trans-125.2124.8178.7177.80000109.5L151 K157L151-T155 HydrophobicContact CD2-CG2 4.29Å; T155-K157 VanDerWaalsContact C-N 3.32Å; T155-K157 PolarHBondContact OG1-N 3.16Å
156N67.3Low68.4Low124 Ų124113.5 Ų113.566%0.66367%0.668SS**SBendtrans-85.8-6.9169.459.4-17.2000112.2G158 A159N156-G158 PolarHBondContact O-N 3.25Å; N156-A159 PolarHBondContact O-N 3.2Å; N156-A159 VanDerWaalsContact O-N 3.08Å
157K65.1Low68Low191 Ų191113.2 Ų113.283%0.8367%0.673SS**THydrogen-bonded Turntrans-67.6-16.8-178.1-64.4-168.8177.7-175.80113.9T155T155-K157 VanDerWaalsContact C-N 3.32Å; T155-K157 PolarHBondContact OG1-N 3.16Å
158G67.2Low67.6Low70 Ų70115.9 Ų115.972%0.72268%0.678SS**THydrogen-bonded Turntrans-91.9-14.9173.300000114.3N156 S160N156-G158 PolarHBondContact O-N 3.25Å; G158-S160 PolarHBondContact O-N 3.16Å
159A65.2Low67.4Low85 Ų85119.9 Ų119.970%0.70269%0.69SS**  trans-9186.1-179.100000109.6N156N156-A159 PolarHBondContact O-N 3.2Å; N156-A159 VanDerWaalsContact O-N 3.08Å
160S66.2Low67Low89 Ų89125.2 Ų125.262%0.62270%0.703SS**  trans-94.1127.1170.8-179.50000109.8G158 A162G158-S160 PolarHBondContact O-N 3.16Å; S160-A162 PolarHBondContact O-N 2.68Å; S160-A162 WeakPolarHBondContact OG-CB 3.12Å; S160-A162 PolarHBondContact OG-N 3.22Å; S160-A162 VanDerWaalsContact OG-N 3.11Å
161Q64.6Low66.8Low134 Ų134131 Ų13163%0.62673%0.726SS**  trans-73.5-1.9168.7-168.117684.800111.9G163 M164Q161-G163 PolarHBondContact O-N 2.91Å; Q161-G163 VanDerWaalsContact O-N 3.11Å; Q161-M164 HydrophobicContact CB-SD 4.46Å; Q161-M164 HydrophobicContact CG-CB 3.88Å; Q161-M164 HydrophobicContact CG-CG 4.17Å; Q161-M164 HydrophobicContact CG-SD 3.81Å; Q161-M164 WeakPolarHBondContact O-CB 3.29Å; Q161-M164 PolarHBondContact O-N 2.99Å
162A65Low66.9Low86 Ų86131.4 Ų131.471%0.71173%0.727SS**THydrogen-bonded Turntrans-57.5120.4178.400000110.5S160S160-A162 PolarHBondContact O-N 2.68Å; S160-A162 WeakPolarHBondContact OG-CB 3.12Å; S160-A162 PolarHBondContact OG-N 3.22Å; S160-A162 VanDerWaalsContact OG-N 3.11Å
163G64.8Low66.5Low77 Ų77130 Ų13079%0.79473%0.725SS**THydrogen-bonded Turntrans96.2-5.1-178.500000115.5Q161 T165Q161-G163 PolarHBondContact O-N 2.91Å; Q161-G163 VanDerWaalsContact O-N 3.11Å; G163-T165 PolarHBondContact O-N 3.5Å
164M65.1Low66Low128 Ų128131.3 Ų131.363%0.63175%0.745SS**  trans-76.588.4171.1-68-17665.800110.7Q161 M166Q161-M164 HydrophobicContact CB-SD 4.46Å; Q161-M164 HydrophobicContact CG-CB 3.88Å; Q161-M164 HydrophobicContact CG-CG 4.17Å; Q161-M164 HydrophobicContact CG-SD 3.81Å; Q161-M164 WeakPolarHBondContact O-CB 3.29Å; Q161-M164 PolarHBondContact O-N 2.99Å; M164-M166 PolarHBondContact O-N 3.12Å
165T65.2Low65.9Low107 Ų107135.9 Ų135.966%0.65676%0.762SS**  trans-78.4101.1168.9-58.30000109.3G163 G167G163-T165 PolarHBondContact O-N 3.5Å; T165-G167 PolarHBondContact O-N 3.35Å
166M69.4Low65.9Low163 Ų163138.7 Ų138.780%0.80378%0.776SS**THydrogen-bonded Turntrans-69.5118.7170.4-65.2-155-10600109.6M164M164-M166 PolarHBondContact O-N 3.12Å
167G69.8Low65.8Low77 Ų77139.6 Ų139.679%0.79478%0.782SS**THydrogen-bonded Turntrans116.810.2165.300000118.6T165T165-G167 PolarHBondContact O-N 3.35Å
168K65.4Low65.8Low181 Ų181136.5 Ų136.579%0.78778%0.779SS**PPolyproline II helixtrans-79.1126.4166.5-80-167.9174.1-175.30110.9R170K168-R170 PolarHBondContact O-N 3.15Å
169Q65.1Low65.7Low188 Ų188140.7 Ų140.788%0.87978%0.783SS**PPolyproline II helixtrans-57.3133.6169.6-77.6176.7-57.600109.7M171Q169-M171 PolarHBondContact O-N 2.59Å
170R61.2Low65.8Low231 Ų231144.4 Ų144.487%0.87279%0.788SS**PPolyproline II helixtrans-64.8121175.3-61-167.9-163.1-88.43.4108.4K168 I172K168-R170 PolarHBondContact O-N 3.15Å; R170-I172 PolarHBondContact O-N 2.93Å
171M66.1Low65.7Low171 Ų171148.4 Ų148.484%0.84280%0.8SS**  trans-72.7105.7164.9-70.5-156.7-65.700107.5Q169Q169-M171 PolarHBondContact O-N 2.59Å
172I73.4Confident65.8Low156 Ų156149.5 Ų149.580%0.881%0.813SS**  trans-87.1102.9163.3-57.5174.6000104.1R170R170-I172 PolarHBondContact O-N 2.93Å
173L63.5Low65.9Low152 Ų152154.8 Ų154.880%0.79682%0.822SS**  trans-76.6120.9166.5-71.7154.7000106.2
174D61.7Low66Low226 Ų226161.8 Ų161.8100%1.20982%0.824SS**  trans-630160.4168.812.1000109.3

Retrieved 174 of 174 residues in 66.9 ms (Link to these results)

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